smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602979302 362919597 /nfs/dbraw/zinc/91/95/97/362919597.db2.gz BUIXSDQMWCPUPG-KGLIPLIRSA-N 2 2 278.400 0.775 20 30 CCEDLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602979302 362919599 /nfs/dbraw/zinc/91/95/99/362919599.db2.gz BUIXSDQMWCPUPG-KGLIPLIRSA-N 2 2 278.400 0.775 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124545867 350101764 /nfs/dbraw/zinc/10/17/64/350101764.db2.gz BIEBAZPFQGSQSZ-QWHCGFSZSA-N 2 2 251.374 0.999 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124545867 350101765 /nfs/dbraw/zinc/10/17/65/350101765.db2.gz BIEBAZPFQGSQSZ-QWHCGFSZSA-N 2 2 251.374 0.999 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618566870 366049310 /nfs/dbraw/zinc/04/93/10/366049310.db2.gz NGTKKWJVDQCVIG-OLZOCXBDSA-N 2 2 264.373 0.432 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157449 363475617 /nfs/dbraw/zinc/47/56/17/363475617.db2.gz QSJUVXHFNLGVLK-LBPRGKRZSA-N 2 2 291.355 0.532 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157449 363475621 /nfs/dbraw/zinc/47/56/21/363475621.db2.gz QSJUVXHFNLGVLK-LBPRGKRZSA-N 2 2 291.355 0.532 20 30 CCEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000619672798 366317579 /nfs/dbraw/zinc/31/75/79/366317579.db2.gz BAFKMRAXZIENID-OWCLPIDISA-N 2 2 292.427 0.675 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565657859 358565292 /nfs/dbraw/zinc/56/52/92/358565292.db2.gz DLBILPMJOSLBSL-IUODEOHRSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565657859 358565296 /nfs/dbraw/zinc/56/52/96/358565296.db2.gz DLBILPMJOSLBSL-IUODEOHRSA-N 2 2 294.399 0.462 20 30 CCEDLP N#CCC[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000584776418 359203228 /nfs/dbraw/zinc/20/32/28/359203228.db2.gz YWFSTSFJLLDPPN-UHFFFAOYSA-N 2 2 287.367 0.624 20 30 CCEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@H](C[NH3+])C1 ZINC000591307536 359576317 /nfs/dbraw/zinc/57/63/17/359576317.db2.gz PZHNICGQZLDYDQ-GFCCVEGCSA-N 2 2 291.330 0.804 20 30 CCEDLP C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@H](C[NH3+])C1 ZINC000591307536 359576321 /nfs/dbraw/zinc/57/63/21/359576321.db2.gz PZHNICGQZLDYDQ-GFCCVEGCSA-N 2 2 291.330 0.804 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592489531 359856629 /nfs/dbraw/zinc/85/66/29/359856629.db2.gz YGYVBNADUCAYJP-SDDRHHMPSA-N 2 2 282.388 0.446 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592489531 359856632 /nfs/dbraw/zinc/85/66/32/359856632.db2.gz YGYVBNADUCAYJP-SDDRHHMPSA-N 2 2 282.388 0.446 20 30 CCEDLP N#CCCCC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000594445558 360313281 /nfs/dbraw/zinc/31/32/81/360313281.db2.gz HUKAHIXHOIOXOS-GFCCVEGCSA-N 2 2 263.345 0.801 20 30 CCEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000599064791 361563340 /nfs/dbraw/zinc/56/33/40/361563340.db2.gz IKVXJLPWXRTXNQ-MJBXVCDLSA-N 2 2 278.400 0.998 20 30 CCEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000599064791 361563346 /nfs/dbraw/zinc/56/33/46/361563346.db2.gz IKVXJLPWXRTXNQ-MJBXVCDLSA-N 2 2 278.400 0.998 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629569301 369714568 /nfs/dbraw/zinc/71/45/68/369714568.db2.gz WTGXJPDMLOFOAH-NXEZZACHSA-N 2 2 279.306 0.748 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629569301 369714570 /nfs/dbraw/zinc/71/45/70/369714570.db2.gz WTGXJPDMLOFOAH-NXEZZACHSA-N 2 2 279.306 0.748 20 30 CCEDLP CC#CC[NH2+]Cc1cn(CCCn2cc[nH+]c2C)nn1 ZINC000641150158 376813003 /nfs/dbraw/zinc/81/30/03/376813003.db2.gz XHLDAJUMYOPXGI-UHFFFAOYSA-N 2 2 272.356 0.986 20 30 CCEDLP C=CCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000303258191 389080930 /nfs/dbraw/zinc/08/09/30/389080930.db2.gz KLBMEELFVPVRSU-UHFFFAOYSA-N 2 2 256.313 0.858 20 30 CCEDLP C[NH+]1CCC(CNC(N)=[NH2+])([NH+]2CCCCC2)CC1 ZINC000304360885 389082742 /nfs/dbraw/zinc/08/27/42/389082742.db2.gz XRQCGEAYFKYVKO-UHFFFAOYSA-N 3 2 253.394 0.210 20 30 CCEDLP C=CCOCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000339003992 389120603 /nfs/dbraw/zinc/12/06/03/389120603.db2.gz PAWSFPLUZWBDEV-UHFFFAOYSA-N 2 2 291.399 0.867 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339432988 389132966 /nfs/dbraw/zinc/13/29/66/389132966.db2.gz GUWCMBQMMFENMJ-AWEZNQCLSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339432988 389132970 /nfs/dbraw/zinc/13/29/70/389132970.db2.gz GUWCMBQMMFENMJ-AWEZNQCLSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339432988 389132971 /nfs/dbraw/zinc/13/29/71/389132971.db2.gz GUWCMBQMMFENMJ-AWEZNQCLSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339432988 389132973 /nfs/dbraw/zinc/13/29/73/389132973.db2.gz GUWCMBQMMFENMJ-AWEZNQCLSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339434130 389133552 /nfs/dbraw/zinc/13/35/52/389133552.db2.gz NSWKJTNMWDWARD-HNNXBMFYSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434130 389133555 /nfs/dbraw/zinc/13/35/55/389133555.db2.gz NSWKJTNMWDWARD-HNNXBMFYSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434130 389133557 /nfs/dbraw/zinc/13/35/57/389133557.db2.gz NSWKJTNMWDWARD-HNNXBMFYSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434130 389133560 /nfs/dbraw/zinc/13/35/60/389133560.db2.gz NSWKJTNMWDWARD-HNNXBMFYSA-N 2 2 294.399 0.416 20 30 CCEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329904894 389210703 /nfs/dbraw/zinc/21/07/03/389210703.db2.gz AHKGRNLSPXRBGS-OLZOCXBDSA-N 2 2 293.371 0.120 20 30 CCEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329904894 389210704 /nfs/dbraw/zinc/21/07/04/389210704.db2.gz AHKGRNLSPXRBGS-OLZOCXBDSA-N 2 2 293.371 0.120 20 30 CCEDLP Cc1[nH+]ccn1CCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329904894 389210707 /nfs/dbraw/zinc/21/07/07/389210707.db2.gz AHKGRNLSPXRBGS-OLZOCXBDSA-N 2 2 293.371 0.120 20 30 CCEDLP Cc1[nH+]ccn1CCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329904894 389210710 /nfs/dbraw/zinc/21/07/10/389210710.db2.gz AHKGRNLSPXRBGS-OLZOCXBDSA-N 2 2 293.371 0.120 20 30 CCEDLP C[NH+]1CCN(C(=O)CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000329913396 389210761 /nfs/dbraw/zinc/21/07/61/389210761.db2.gz XIBHBXSKKBXHMQ-UHFFFAOYSA-N 2 2 293.371 0.463 20 30 CCEDLP COC[C@H](C)NC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000262004386 389279907 /nfs/dbraw/zinc/27/99/07/389279907.db2.gz QWNUBOULZYWYON-JTQLQIEISA-N 2 2 265.361 0.659 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366445264 389301894 /nfs/dbraw/zinc/30/18/94/389301894.db2.gz WGNRMAZGHLVFLQ-AWEZNQCLSA-N 2 2 280.372 0.026 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366445264 389301897 /nfs/dbraw/zinc/30/18/97/389301897.db2.gz WGNRMAZGHLVFLQ-AWEZNQCLSA-N 2 2 280.372 0.026 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366445264 389301900 /nfs/dbraw/zinc/30/19/00/389301900.db2.gz WGNRMAZGHLVFLQ-AWEZNQCLSA-N 2 2 280.372 0.026 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366445264 389301902 /nfs/dbraw/zinc/30/19/02/389301902.db2.gz WGNRMAZGHLVFLQ-AWEZNQCLSA-N 2 2 280.372 0.026 20 30 CCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447535800 389956969 /nfs/dbraw/zinc/95/69/69/389956969.db2.gz IMRZEAQQOKYZAT-HZSPNIEDSA-N 2 2 250.390 0.904 20 30 CCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447535800 389956972 /nfs/dbraw/zinc/95/69/72/389956972.db2.gz IMRZEAQQOKYZAT-HZSPNIEDSA-N 2 2 250.390 0.904 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000646106633 390599012 /nfs/dbraw/zinc/59/90/12/390599012.db2.gz HYMANVDANDWJSP-CQSZACIVSA-N 2 2 293.411 0.570 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000646106633 390599016 /nfs/dbraw/zinc/59/90/16/390599016.db2.gz HYMANVDANDWJSP-CQSZACIVSA-N 2 2 293.411 0.570 20 30 CCEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC#CCO)c2cc1C ZINC000568761745 390715044 /nfs/dbraw/zinc/71/50/44/390715044.db2.gz GZVRAFGUEVSDEV-AWEZNQCLSA-N 2 2 287.363 0.599 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662152209 414693893 /nfs/dbraw/zinc/69/38/93/414693893.db2.gz QXOCMHXUNRMSSN-GJZGRUSLSA-N 2 2 293.411 0.304 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662152209 414693894 /nfs/dbraw/zinc/69/38/94/414693894.db2.gz QXOCMHXUNRMSSN-GJZGRUSLSA-N 2 2 293.411 0.304 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000662700710 414743048 /nfs/dbraw/zinc/74/30/48/414743048.db2.gz KBUMORMFGUINSS-MRXNPFEDSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000662700710 414743049 /nfs/dbraw/zinc/74/30/49/414743049.db2.gz KBUMORMFGUINSS-MRXNPFEDSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000662859444 414852081 /nfs/dbraw/zinc/85/20/81/414852081.db2.gz MXODOUJVUBBLGC-IIAWOOMASA-N 2 2 295.427 0.910 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000662859444 414852087 /nfs/dbraw/zinc/85/20/87/414852087.db2.gz MXODOUJVUBBLGC-IIAWOOMASA-N 2 2 295.427 0.910 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000490935304 261256299 /nfs/dbraw/zinc/25/62/99/261256299.db2.gz MDUJNRZIWXHZIG-LSDHHAIUSA-N 2 2 293.411 0.169 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414681124 263031466 /nfs/dbraw/zinc/03/14/66/263031466.db2.gz OOMHIRDBZZTLLI-AWEZNQCLSA-N 2 2 282.432 0.280 20 30 CCEDLP C[C@H](C#N)CN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340252909 263101682 /nfs/dbraw/zinc/10/16/82/263101682.db2.gz PXMPTYDAPFOCQR-CYBMUJFWSA-N 2 2 295.431 0.813 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261584727 327002513 /nfs/dbraw/zinc/00/25/13/327002513.db2.gz HYRAAEICTAENER-ZIAGYGMSSA-N 2 2 263.385 0.728 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261584727 327002514 /nfs/dbraw/zinc/00/25/14/327002514.db2.gz HYRAAEICTAENER-ZIAGYGMSSA-N 2 2 263.385 0.728 20 30 CCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177382158 327274232 /nfs/dbraw/zinc/27/42/32/327274232.db2.gz FJURAXGJSRCZRT-UHFFFAOYSA-N 2 2 282.432 0.246 20 30 CCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177382158 327274234 /nfs/dbraw/zinc/27/42/34/327274234.db2.gz FJURAXGJSRCZRT-UHFFFAOYSA-N 2 2 282.432 0.246 20 30 CCEDLP C=CCNC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177382158 327274236 /nfs/dbraw/zinc/27/42/36/327274236.db2.gz FJURAXGJSRCZRT-UHFFFAOYSA-N 2 2 282.432 0.246 20 30 CCEDLP C=CCNC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177382158 327274237 /nfs/dbraw/zinc/27/42/37/327274237.db2.gz FJURAXGJSRCZRT-UHFFFAOYSA-N 2 2 282.432 0.246 20 30 CCEDLP CC1(C)C[N@H+](CCNC(=[NH2+])NC[C@@H]2CCCO2)CCO1 ZINC000171146077 329074930 /nfs/dbraw/zinc/07/49/30/329074930.db2.gz VFGAYNSYSZMVAO-LBPRGKRZSA-N 2 2 284.404 0.181 20 30 CCEDLP CC1(C)C[N@@H+](CCNC(=[NH2+])NC[C@@H]2CCCO2)CCO1 ZINC000171146077 329074932 /nfs/dbraw/zinc/07/49/32/329074932.db2.gz VFGAYNSYSZMVAO-LBPRGKRZSA-N 2 2 284.404 0.181 20 30 CCEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000424170929 330311121 /nfs/dbraw/zinc/31/11/21/330311121.db2.gz LKLBRUPJKJSWSO-QWHCGFSZSA-N 2 2 287.367 0.798 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@@H](C)[C@H]2C)CC1 ZINC000490760465 332113052 /nfs/dbraw/zinc/11/30/52/332113052.db2.gz LVIUOUBJLACKQG-KGLIPLIRSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@@H](C)[C@H]2C)CC1 ZINC000490760465 332113054 /nfs/dbraw/zinc/11/30/54/332113054.db2.gz LVIUOUBJLACKQG-KGLIPLIRSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CC)CC1 ZINC000490840215 332119276 /nfs/dbraw/zinc/11/92/76/332119276.db2.gz MUUPBPXEVHJTSZ-AWEZNQCLSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CC)CC1 ZINC000490840215 332119277 /nfs/dbraw/zinc/11/92/77/332119277.db2.gz MUUPBPXEVHJTSZ-AWEZNQCLSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@H](C)[C@@H](C)C2)CC1 ZINC000490866450 332122249 /nfs/dbraw/zinc/12/22/49/332122249.db2.gz OXWZOCZUNSTLPA-KBPBESRZSA-N 2 2 263.385 0.352 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCCC)CCCO)CC1 ZINC000490923326 332129735 /nfs/dbraw/zinc/12/97/35/332129735.db2.gz KDOQCPWOIYVYFK-UHFFFAOYSA-N 2 2 295.427 0.248 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCCC)CCCO)CC1 ZINC000490923326 332129736 /nfs/dbraw/zinc/12/97/36/332129736.db2.gz KDOQCPWOIYVYFK-UHFFFAOYSA-N 2 2 295.427 0.248 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000491048039 332143410 /nfs/dbraw/zinc/14/34/10/332143410.db2.gz WRPZLXVJMILVLI-GJZGRUSLSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000491221606 332169228 /nfs/dbraw/zinc/16/92/28/332169228.db2.gz YEDWEVPNYRECKN-UHFFFAOYSA-N 2 2 286.379 0.539 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000491485268 332220283 /nfs/dbraw/zinc/22/02/83/332220283.db2.gz NRBCKAPOESLCRH-ZDUSSCGKSA-N 2 2 251.374 0.590 20 30 CCEDLP C#C[C@H](CC)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000491714227 332305022 /nfs/dbraw/zinc/30/50/22/332305022.db2.gz GCLGDCFFZNJJAX-CYBMUJFWSA-N 2 2 280.416 0.723 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000491779730 332344411 /nfs/dbraw/zinc/34/44/11/332344411.db2.gz CZZZNVSPJRVVPM-CYBMUJFWSA-N 2 2 263.385 0.732 20 30 CCEDLP 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CCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027977514 812187539 /nfs/dbraw/zinc/18/75/39/812187539.db2.gz TUZIYLCJNXXVON-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027977514 812187546 /nfs/dbraw/zinc/18/75/46/812187546.db2.gz TUZIYLCJNXXVON-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP CC#CC[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001269094779 813213140 /nfs/dbraw/zinc/21/31/40/813213140.db2.gz LQKKJDYCMSKQOG-CQSZACIVSA-N 2 2 288.395 0.860 20 30 CCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001269150866 813241993 /nfs/dbraw/zinc/24/19/93/813241993.db2.gz BYWQJFPSVKKYIS-CQSZACIVSA-N 2 2 292.383 0.666 20 30 CCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001269150866 813241998 /nfs/dbraw/zinc/24/19/98/813241998.db2.gz BYWQJFPSVKKYIS-CQSZACIVSA-N 2 2 292.383 0.666 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001270263069 813701812 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CC#CC[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031779356 817362099 /nfs/dbraw/zinc/36/20/99/817362099.db2.gz PWLCAIJIGYSDEJ-AWEZNQCLSA-N 2 2 286.379 0.517 20 30 CCEDLP C#CC[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031974979 817512839 /nfs/dbraw/zinc/51/28/39/817512839.db2.gz MEQZHDOFHGBIHK-AWEZNQCLSA-N 2 2 286.379 0.435 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001107817632 818032653 /nfs/dbraw/zinc/03/26/53/818032653.db2.gz VAUKQFLTVBQIDX-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107817632 818032654 /nfs/dbraw/zinc/03/26/54/818032654.db2.gz VAUKQFLTVBQIDX-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107817632 818032656 /nfs/dbraw/zinc/03/26/56/818032656.db2.gz VAUKQFLTVBQIDX-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107817632 818032658 /nfs/dbraw/zinc/03/26/58/818032658.db2.gz VAUKQFLTVBQIDX-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975320 818400657 /nfs/dbraw/zinc/40/06/57/818400657.db2.gz HKOMIUAOUVTBTI-OLZOCXBDSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975320 818400663 /nfs/dbraw/zinc/40/06/63/818400663.db2.gz HKOMIUAOUVTBTI-OLZOCXBDSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032975320 818400667 /nfs/dbraw/zinc/40/06/67/818400667.db2.gz HKOMIUAOUVTBTI-OLZOCXBDSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032975320 818400671 /nfs/dbraw/zinc/40/06/71/818400671.db2.gz HKOMIUAOUVTBTI-OLZOCXBDSA-N 2 2 267.373 0.036 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831551 818526591 /nfs/dbraw/zinc/52/65/91/818526591.db2.gz QTKBLFLXXJGQGJ-ZNMIVQPWSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831551 818526597 /nfs/dbraw/zinc/52/65/97/818526597.db2.gz QTKBLFLXXJGQGJ-ZNMIVQPWSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206166 818648683 /nfs/dbraw/zinc/64/86/83/818648683.db2.gz GPHXQGVYEXLBLL-ZIAGYGMSSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206166 818648692 /nfs/dbraw/zinc/64/86/92/818648692.db2.gz GPHXQGVYEXLBLL-ZIAGYGMSSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618055 818854110 /nfs/dbraw/zinc/85/41/10/818854110.db2.gz FHHXYSCHIRWGJA-GFCCVEGCSA-N 2 2 260.341 0.427 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618055 818854118 /nfs/dbraw/zinc/85/41/18/818854118.db2.gz FHHXYSCHIRWGJA-GFCCVEGCSA-N 2 2 260.341 0.427 20 30 CCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580946 819576220 /nfs/dbraw/zinc/57/62/20/819576220.db2.gz CULDZIBSNWRNKK-CYBMUJFWSA-N 2 2 279.384 0.085 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580946 819576225 /nfs/dbraw/zinc/57/62/25/819576225.db2.gz CULDZIBSNWRNKK-CYBMUJFWSA-N 2 2 279.384 0.085 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001036276117 819722885 /nfs/dbraw/zinc/72/28/85/819722885.db2.gz NHLIFWJMVRQMCQ-UKRRQHHQSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCF ZINC001085648489 821878554 /nfs/dbraw/zinc/87/85/54/821878554.db2.gz NRRWNYSAPOTLIB-CABCVRRESA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCF ZINC001085648489 821878565 /nfs/dbraw/zinc/87/85/65/821878565.db2.gz NRRWNYSAPOTLIB-CABCVRRESA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCF ZINC001085648489 821878576 /nfs/dbraw/zinc/87/85/76/821878576.db2.gz NRRWNYSAPOTLIB-CABCVRRESA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCF ZINC001085648489 821878586 /nfs/dbraw/zinc/87/85/86/821878586.db2.gz NRRWNYSAPOTLIB-CABCVRRESA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085674444 821889953 /nfs/dbraw/zinc/88/99/53/821889953.db2.gz WHBIWGVHESQZMX-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085674444 821889961 /nfs/dbraw/zinc/88/99/61/821889961.db2.gz WHBIWGVHESQZMX-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085674444 821889965 /nfs/dbraw/zinc/88/99/65/821889965.db2.gz WHBIWGVHESQZMX-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085674444 821889972 /nfs/dbraw/zinc/88/99/72/821889972.db2.gz WHBIWGVHESQZMX-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671090 821892021 /nfs/dbraw/zinc/89/20/21/821892021.db2.gz NJXHVOFZCOQFAB-QLFBSQMISA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671090 821892026 /nfs/dbraw/zinc/89/20/26/821892026.db2.gz NJXHVOFZCOQFAB-QLFBSQMISA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085671090 821892032 /nfs/dbraw/zinc/89/20/32/821892032.db2.gz NJXHVOFZCOQFAB-QLFBSQMISA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085671090 821892041 /nfs/dbraw/zinc/89/20/41/821892041.db2.gz NJXHVOFZCOQFAB-QLFBSQMISA-N 2 2 293.411 0.262 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085982751 822052894 /nfs/dbraw/zinc/05/28/94/822052894.db2.gz RIIWACVRLGAKFG-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085982751 822052897 /nfs/dbraw/zinc/05/28/97/822052897.db2.gz RIIWACVRLGAKFG-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982751 822052904 /nfs/dbraw/zinc/05/29/04/822052904.db2.gz RIIWACVRLGAKFG-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982751 822052913 /nfs/dbraw/zinc/05/29/13/822052913.db2.gz RIIWACVRLGAKFG-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(Cl)nc2C#N)CC1 ZINC001157915147 837696188 /nfs/dbraw/zinc/69/61/88/837696188.db2.gz RQPNGNYFJSSVMS-UHFFFAOYSA-N 2 2 279.735 0.596 20 30 CCEDLP N#Cc1ccc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067017 836122995 /nfs/dbraw/zinc/12/29/95/836122995.db2.gz LEQAZISDQYPQKK-SECBINFHSA-N 2 2 277.715 0.654 20 30 CCEDLP COc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1CC#N ZINC001169072543 836125594 /nfs/dbraw/zinc/12/55/94/836125594.db2.gz OMMYWVVBMLQPMS-SNVBAGLBSA-N 2 2 287.323 0.204 20 30 CCEDLP C=C(Cl)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079938 838313478 /nfs/dbraw/zinc/31/34/78/838313478.db2.gz UBUSFNWJTLTYIT-UHFFFAOYSA-N 2 2 256.737 0.732 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001133274043 838588265 /nfs/dbraw/zinc/58/82/65/838588265.db2.gz AKRRLWRNBCRHBQ-TZMCWYRMSA-N 2 2 288.395 0.968 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133355024 838609259 /nfs/dbraw/zinc/60/92/59/838609259.db2.gz UYDZUMKMLGIKHF-LSDHHAIUSA-N 2 2 288.395 0.981 20 30 CCEDLP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664684 838691064 /nfs/dbraw/zinc/69/10/64/838691064.db2.gz XNAKEHUJJGUPTG-GFCCVEGCSA-N 2 2 290.367 0.185 20 30 CCEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727796 839758718 /nfs/dbraw/zinc/75/87/18/839758718.db2.gz MWZHEBJUUXIGPT-UONOGXRCSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727796 839758727 /nfs/dbraw/zinc/75/87/27/839758727.db2.gz MWZHEBJUUXIGPT-UONOGXRCSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246308618 839782348 /nfs/dbraw/zinc/78/23/48/839782348.db2.gz RNHUKDQSGYNPKM-OLZOCXBDSA-N 3 2 269.389 0.555 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCCNC1 ZINC001246308618 839782352 /nfs/dbraw/zinc/78/23/52/839782352.db2.gz RNHUKDQSGYNPKM-OLZOCXBDSA-N 2 2 269.389 0.555 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091755409 840903431 /nfs/dbraw/zinc/90/34/31/840903431.db2.gz LSKCDBGQVJCILS-WBOJAVRRSA-N 2 2 298.390 0.927 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091755409 840903438 /nfs/dbraw/zinc/90/34/38/840903438.db2.gz LSKCDBGQVJCILS-WBOJAVRRSA-N 2 2 298.390 0.927 20 30 CCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001095268008 842165907 /nfs/dbraw/zinc/16/59/07/842165907.db2.gz NPBAMESNULXTKB-CBBWQLFWSA-N 2 2 291.395 0.062 20 30 CCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001095268008 842165915 /nfs/dbraw/zinc/16/59/15/842165915.db2.gz NPBAMESNULXTKB-CBBWQLFWSA-N 2 2 291.395 0.062 20 30 CCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001095268008 842165926 /nfs/dbraw/zinc/16/59/26/842165926.db2.gz NPBAMESNULXTKB-CBBWQLFWSA-N 2 2 291.395 0.062 20 30 CCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001095268008 842165933 /nfs/dbraw/zinc/16/59/33/842165933.db2.gz NPBAMESNULXTKB-CBBWQLFWSA-N 2 2 291.395 0.062 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177065008 842498154 /nfs/dbraw/zinc/49/81/54/842498154.db2.gz UNAXNSRSFXIFOD-AWEZNQCLSA-N 2 2 274.368 0.413 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177063708 842498595 /nfs/dbraw/zinc/49/85/95/842498595.db2.gz BMYLIEKMPKPVDF-AWEZNQCLSA-N 2 2 276.384 0.966 20 30 CCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783393 843050761 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ZINC001107998846 898055321 /nfs/dbraw/zinc/05/53/21/898055321.db2.gz SYLCHYOAVFONMA-HOCLYGCPSA-N 2 2 295.427 0.720 20 30 CCEDLP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001486219919 898720139 /nfs/dbraw/zinc/72/01/39/898720139.db2.gz WFCDOKFSIPXXHD-KBPBESRZSA-N 2 2 288.395 0.860 20 30 CCEDLP C#CCC[N@H+](CC)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001490352445 900598376 /nfs/dbraw/zinc/59/83/76/900598376.db2.gz YSXRSAXTRZMQBM-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP C#CCC[N@@H+](CC)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001490352445 900598385 /nfs/dbraw/zinc/59/83/85/900598385.db2.gz YSXRSAXTRZMQBM-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[N@@H+](C)CC)O2 ZINC001327363375 914502147 /nfs/dbraw/zinc/50/21/47/914502147.db2.gz GHFDLZZGPZMZBQ-CQSZACIVSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[N@H+](C)CC)O2 ZINC001327363375 914502162 /nfs/dbraw/zinc/50/21/62/914502162.db2.gz GHFDLZZGPZMZBQ-CQSZACIVSA-N 2 2 295.427 0.864 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001491033358 903302370 /nfs/dbraw/zinc/30/23/70/903302370.db2.gz XDOVHQIBLIKKIL-MELADBBJSA-N 2 2 286.379 0.706 20 30 CCEDLP C#CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001281458827 903915617 /nfs/dbraw/zinc/91/56/17/903915617.db2.gz VNWZQWYGOQNJSK-RYUDHWBXSA-N 2 2 260.341 0.412 20 30 CCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001281428356 904280893 /nfs/dbraw/zinc/28/08/93/904280893.db2.gz GTEVPFQMSYUHCS-UONOGXRCSA-N 2 2 288.395 0.813 20 30 CCEDLP COCC#CC[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001491692698 907506420 /nfs/dbraw/zinc/50/64/20/907506420.db2.gz MVTZLWAMMMSASO-CQSZACIVSA-N 2 2 292.383 0.407 20 30 CCEDLP C#CC[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001492042676 907680372 /nfs/dbraw/zinc/68/03/72/907680372.db2.gz DQXFMRIFHRAXMK-GFCCVEGCSA-N 2 2 275.352 0.750 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317160708 909023476 /nfs/dbraw/zinc/02/34/76/909023476.db2.gz ZVZDEBWDKITXIC-GFCCVEGCSA-N 2 2 260.341 0.414 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317205489 909041866 /nfs/dbraw/zinc/04/18/66/909041866.db2.gz PKCMKSMGUUHFJO-OLZOCXBDSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317205489 909041881 /nfs/dbraw/zinc/04/18/81/909041881.db2.gz PKCMKSMGUUHFJO-OLZOCXBDSA-N 2 2 274.368 0.802 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC001318433286 909752524 /nfs/dbraw/zinc/75/25/24/909752524.db2.gz GSDQAPXKVOHQAH-LLVKDONJSA-N 2 2 261.329 0.548 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001319307851 910087084 /nfs/dbraw/zinc/08/70/84/910087084.db2.gz ILDNWWKDOUFMDA-AWEZNQCLSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320467528 910690598 /nfs/dbraw/zinc/69/05/98/910690598.db2.gz BVNXWYXCFBSSHH-STQMWFEESA-N 2 2 274.368 0.563 20 30 CCEDLP C=CC[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001320605190 910760112 /nfs/dbraw/zinc/76/01/12/910760112.db2.gz AXHOGDRLMHRJFI-NSHDSACASA-N 2 2 250.346 0.633 20 30 CCEDLP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001321251748 911193278 /nfs/dbraw/zinc/19/32/78/911193278.db2.gz LYSHJCNDRFZQAQ-HLMASZERSA-N 2 2 286.379 0.809 20 30 CCEDLP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001321958162 911591527 /nfs/dbraw/zinc/59/15/27/911591527.db2.gz LNRULZVTZHGOPG-ZFWWWQNUSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001321958162 911591545 /nfs/dbraw/zinc/59/15/45/911591545.db2.gz LNRULZVTZHGOPG-ZFWWWQNUSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CC[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001322739661 911928121 /nfs/dbraw/zinc/92/81/21/911928121.db2.gz ZYAQKXBWSAZLTK-UHFFFAOYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC001329945388 916300272 /nfs/dbraw/zinc/30/02/72/916300272.db2.gz NCBUAKUUKKDNCL-KGLIPLIRSA-N 2 2 254.374 0.718 20 30 CCEDLP C=CCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC001329945388 916300291 /nfs/dbraw/zinc/30/02/91/916300291.db2.gz NCBUAKUUKKDNCL-KGLIPLIRSA-N 2 2 254.374 0.718 20 30 CCEDLP C=CCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001329945388 916300310 /nfs/dbraw/zinc/30/03/10/916300310.db2.gz NCBUAKUUKKDNCL-KGLIPLIRSA-N 2 2 254.374 0.718 20 30 CCEDLP C=CCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC001329945388 916300329 /nfs/dbraw/zinc/30/03/29/916300329.db2.gz NCBUAKUUKKDNCL-KGLIPLIRSA-N 2 2 254.374 0.718 20 30 CCEDLP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001331490970 917372772 /nfs/dbraw/zinc/37/27/72/917372772.db2.gz HVFMTHWGFDTJSX-ZIAGYGMSSA-N 2 2 288.395 0.905 20 30 CCEDLP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001331737718 917561139 /nfs/dbraw/zinc/56/11/39/917561139.db2.gz BUPLWDHLVMGURK-QWHCGFSZSA-N 2 2 292.383 0.088 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001331977263 917777468 /nfs/dbraw/zinc/77/74/68/917777468.db2.gz VAIRTDNBXMZLNF-FRRDWIJNSA-N 2 2 295.383 0.034 20 30 CCEDLP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001332528300 918256900 /nfs/dbraw/zinc/25/69/00/918256900.db2.gz HSAKFKOIHNSWGQ-GXTWGEPZSA-N 2 2 292.383 0.040 20 30 CCEDLP C=CCN(CCOC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335645598 920346473 /nfs/dbraw/zinc/34/64/73/920346473.db2.gz JUPGZCLZHLUPLC-UHFFFAOYSA-N 2 2 284.404 0.254 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC001340027210 921921048 /nfs/dbraw/zinc/92/10/48/921921048.db2.gz PWQSXISZNVWUBO-UHFFFAOYSA-N 2 2 285.391 0.596 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)NCc1cc[nH+]c(NC)c1 ZINC001351178099 925377741 /nfs/dbraw/zinc/37/77/41/925377741.db2.gz CNPDWLAYMPBNDK-UHFFFAOYSA-N 2 2 289.383 0.878 20 30 CCEDLP C#CC[NH2+]CC(=O)N(C)CCCc1[nH+]ccn1CCC ZINC001357570183 926562585 /nfs/dbraw/zinc/56/25/85/926562585.db2.gz GMWFIQFBPNHLRC-UHFFFAOYSA-N 2 2 276.384 0.907 20 30 CCEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577569 349738862 /nfs/dbraw/zinc/73/88/62/349738862.db2.gz PYGQKDYWUORGAG-BZPMIXESSA-N 2 2 264.373 0.192 20 30 CCEDLP N#Cc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC000602525003 362656570 /nfs/dbraw/zinc/65/65/70/362656570.db2.gz MEZQRLKPQYPYEN-CQSZACIVSA-N 2 2 260.341 0.500 20 30 CCEDLP C[C@@H](CCC#N)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000602528041 362658963 /nfs/dbraw/zinc/65/89/63/362658963.db2.gz LZSFOUCUVSTVGO-LBPRGKRZSA-N 2 2 252.362 0.290 20 30 CCEDLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@H]1C#N ZINC000602979301 362920030 /nfs/dbraw/zinc/92/00/30/362920030.db2.gz BUIXSDQMWCPUPG-KBPBESRZSA-N 2 2 278.400 0.775 20 30 CCEDLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@H]1C#N ZINC000602979301 362920034 /nfs/dbraw/zinc/92/00/34/362920034.db2.gz BUIXSDQMWCPUPG-KBPBESRZSA-N 2 2 278.400 0.775 20 30 CCEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592501042 359862612 /nfs/dbraw/zinc/86/26/12/359862612.db2.gz KLSLTZGRFUEPOI-LBPRGKRZSA-N 2 2 284.367 0.984 20 30 CCEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592501042 359862616 /nfs/dbraw/zinc/86/26/16/359862616.db2.gz KLSLTZGRFUEPOI-LBPRGKRZSA-N 2 2 284.367 0.984 20 30 CCEDLP N#Cc1cnccc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000592495154 359858675 /nfs/dbraw/zinc/85/86/75/359858675.db2.gz HXBKOGBNYQEAIG-HNNXBMFYSA-N 2 2 297.366 0.841 20 30 CCEDLP N#Cc1cnccc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000592495154 359858679 /nfs/dbraw/zinc/85/86/79/359858679.db2.gz HXBKOGBNYQEAIG-HNNXBMFYSA-N 2 2 297.366 0.841 20 30 CCEDLP C[NH+](C)CCN1CC[N@H+](CCCSCC#N)CC1=O ZINC000593049675 360020731 /nfs/dbraw/zinc/02/07/31/360020731.db2.gz CPSLODJTPSNPLC-UHFFFAOYSA-N 2 2 284.429 0.339 20 30 CCEDLP C[NH+](C)CCN1CC[N@@H+](CCCSCC#N)CC1=O ZINC000593049675 360020738 /nfs/dbraw/zinc/02/07/38/360020738.db2.gz CPSLODJTPSNPLC-UHFFFAOYSA-N 2 2 284.429 0.339 20 30 CCEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436353 360304571 /nfs/dbraw/zinc/30/45/71/360304571.db2.gz DGIDRUNMBRWRKO-CHWSQXEVSA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436353 360304575 /nfs/dbraw/zinc/30/45/75/360304575.db2.gz DGIDRUNMBRWRKO-CHWSQXEVSA-N 2 2 282.388 0.235 20 30 CCEDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccc(C#N)cc1 ZINC000595939789 360716574 /nfs/dbraw/zinc/71/65/74/360716574.db2.gz ZXXHZVJFQDLALW-CQSZACIVSA-N 2 2 274.368 0.496 20 30 CCEDLP N#C[C@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000599064789 361563725 /nfs/dbraw/zinc/56/37/25/361563725.db2.gz IKVXJLPWXRTXNQ-IHRRRGAJSA-N 2 2 278.400 0.998 20 30 CCEDLP N#C[C@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000599064789 361563727 /nfs/dbraw/zinc/56/37/27/361563727.db2.gz IKVXJLPWXRTXNQ-IHRRRGAJSA-N 2 2 278.400 0.998 20 30 CCEDLP C=CCCn1cc(C[N@H+](C)CCOCC[NH3+])nn1 ZINC000629581192 369725333 /nfs/dbraw/zinc/72/53/33/369725333.db2.gz QSRKIVLVQVKEFI-UHFFFAOYSA-N 2 2 253.350 0.261 20 30 CCEDLP C=CCCn1cc(C[N@@H+](C)CCOCC[NH3+])nn1 ZINC000629581192 369725336 /nfs/dbraw/zinc/72/53/36/369725336.db2.gz QSRKIVLVQVKEFI-UHFFFAOYSA-N 2 2 253.350 0.261 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764557 375992832 /nfs/dbraw/zinc/99/28/32/375992832.db2.gz GSNRWVYYFLMKTO-JSGCOSHPSA-N 2 2 269.389 0.066 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764557 375992840 /nfs/dbraw/zinc/99/28/40/375992840.db2.gz GSNRWVYYFLMKTO-JSGCOSHPSA-N 2 2 269.389 0.066 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072858138 388970815 /nfs/dbraw/zinc/97/08/15/388970815.db2.gz RPORWEIKAIFWEY-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072858138 388970817 /nfs/dbraw/zinc/97/08/17/388970817.db2.gz RPORWEIKAIFWEY-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858138 388970819 /nfs/dbraw/zinc/97/08/19/388970819.db2.gz RPORWEIKAIFWEY-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858138 388970821 /nfs/dbraw/zinc/97/08/21/388970821.db2.gz RPORWEIKAIFWEY-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000247457445 389240117 /nfs/dbraw/zinc/24/01/17/389240117.db2.gz QMHZVHRLARYCDQ-SWLSCSKDSA-N 2 2 278.400 0.678 20 30 CCEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000247457445 389240121 /nfs/dbraw/zinc/24/01/21/389240121.db2.gz QMHZVHRLARYCDQ-SWLSCSKDSA-N 2 2 278.400 0.678 20 30 CCEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)N1CCOCC1 ZINC000264322371 389321352 /nfs/dbraw/zinc/32/13/52/389321352.db2.gz XYEQMLIOOQXMNJ-UHFFFAOYSA-N 2 2 277.372 0.921 20 30 CCEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])N(C)C2CC2)n1C ZINC000262279999 389284410 /nfs/dbraw/zinc/28/44/10/389284410.db2.gz VMNCDMHRGDYXNM-UHFFFAOYSA-N 2 2 250.350 0.395 20 30 CCEDLP C[NH+]=C(NCc1ccco1)NCc1c[nH+]c(N(C)C)n1C ZINC000262643685 389291700 /nfs/dbraw/zinc/29/17/00/389291700.db2.gz HYBSGEJCGUNUCE-UHFFFAOYSA-N 2 2 290.371 0.944 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[C@@H]1C ZINC000262787361 389295231 /nfs/dbraw/zinc/29/52/31/389295231.db2.gz NBKPLSSXQZXETM-GXSJLCMTSA-N 2 2 264.377 0.560 20 30 CCEDLP [NH2+]=C(NCCc1[nH]c2ccccc2[nH+]1)N1CCOCC1 ZINC000264075118 389304647 /nfs/dbraw/zinc/30/46/47/389304647.db2.gz GZFLBJPTTZOOKH-UHFFFAOYSA-N 2 2 273.340 0.752 20 30 CCEDLP C#CC[NH+](CC#C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158759720 389350274 /nfs/dbraw/zinc/35/02/74/389350274.db2.gz FZKIHLGBQUAREX-KRWDZBQOSA-N 2 2 297.402 0.974 20 30 CCEDLP C=CCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000351609271 389632569 /nfs/dbraw/zinc/63/25/69/389632569.db2.gz QXUWNHVAITVJBF-CQSZACIVSA-N 2 2 256.390 0.702 20 30 CCEDLP C=CCC[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000351609271 389632571 /nfs/dbraw/zinc/63/25/71/389632571.db2.gz QXUWNHVAITVJBF-CQSZACIVSA-N 2 2 256.390 0.702 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])C1=O ZINC000420341050 389986045 /nfs/dbraw/zinc/98/60/45/389986045.db2.gz PSQSPSWUEKNXGA-AGIUHOORSA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])C1=O ZINC000420341050 389986048 /nfs/dbraw/zinc/98/60/48/389986048.db2.gz PSQSPSWUEKNXGA-AGIUHOORSA-N 2 2 251.374 0.833 20 30 CCEDLP C=C(C)[C@@H](CO)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000649391218 390615662 /nfs/dbraw/zinc/61/56/62/390615662.db2.gz VUERZBWMDFCMGY-GFCCVEGCSA-N 2 2 250.346 0.479 20 30 CCEDLP CC#CCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567711690 390710514 /nfs/dbraw/zinc/71/05/14/390710514.db2.gz MGVBZWVDAFJFKO-MJBXVCDLSA-N 2 2 254.374 0.460 20 30 CCEDLP CC#CCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567711690 390710515 /nfs/dbraw/zinc/71/05/15/390710515.db2.gz MGVBZWVDAFJFKO-MJBXVCDLSA-N 2 2 254.374 0.460 20 30 CCEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)COC ZINC000661244501 414584973 /nfs/dbraw/zinc/58/49/73/414584973.db2.gz TYRZJICYMRWIQH-ZDUSSCGKSA-N 2 2 269.389 0.283 20 30 CCEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](C)COC ZINC000661244501 414584977 /nfs/dbraw/zinc/58/49/77/414584977.db2.gz TYRZJICYMRWIQH-ZDUSSCGKSA-N 2 2 269.389 0.283 20 30 CCEDLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000347125378 226036143 /nfs/dbraw/zinc/03/61/43/226036143.db2.gz QNJJRGUOEAOUBJ-ZDUSSCGKSA-N 2 2 278.400 0.965 20 30 CCEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000347125378 226036146 /nfs/dbraw/zinc/03/61/46/226036146.db2.gz QNJJRGUOEAOUBJ-ZDUSSCGKSA-N 2 2 278.400 0.965 20 30 CCEDLP C=CC[C@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361118566 261163497 /nfs/dbraw/zinc/16/34/97/261163497.db2.gz VXGIPHOXYVYYCJ-CQSZACIVSA-N 2 2 284.400 0.931 20 30 CCEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261603004 327265780 /nfs/dbraw/zinc/26/57/80/327265780.db2.gz CCYHQDBTPRQYDH-HNNXBMFYSA-N 2 2 292.427 0.167 20 30 CCEDLP C#CCNC(NCCc1cn2c([nH+]1)CCCC2)=[NH+]C ZINC000262630038 330023499 /nfs/dbraw/zinc/02/34/99/330023499.db2.gz VWHXSPKKIDGPSQ-UHFFFAOYSA-N 2 2 259.357 0.560 20 30 CCEDLP C=CCn1cc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)nn1 ZINC000424384176 330349466 /nfs/dbraw/zinc/34/94/66/330349466.db2.gz UTSUZQCMSFAQDI-VXGBXAGGSA-N 2 2 265.361 0.321 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCCC)CCOC)CC1 ZINC000490780322 332115220 /nfs/dbraw/zinc/11/52/20/332115220.db2.gz JZIFKVIJIRZFQR-UHFFFAOYSA-N 2 2 295.427 0.512 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCCC)CCOC)CC1 ZINC000490780322 332115222 /nfs/dbraw/zinc/11/52/22/332115222.db2.gz JZIFKVIJIRZFQR-UHFFFAOYSA-N 2 2 295.427 0.512 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H]2C)CC1 ZINC000490839819 332119438 /nfs/dbraw/zinc/11/94/38/332119438.db2.gz KOJFEZZVOMDUMC-KGLIPLIRSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2C)CC1 ZINC000490839819 332119440 /nfs/dbraw/zinc/11/94/40/332119440.db2.gz KOJFEZZVOMDUMC-KGLIPLIRSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@H](C)CC)CC1 ZINC000490948579 332131859 /nfs/dbraw/zinc/13/18/59/332131859.db2.gz FIMQDGFVHWTDAE-ZIAGYGMSSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H]2CC)CC1 ZINC000491040532 332141782 /nfs/dbraw/zinc/14/17/82/332141782.db2.gz UMIPONGRTXPHCP-GJZGRUSLSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CC)CC1 ZINC000491040532 332141783 /nfs/dbraw/zinc/14/17/83/332141783.db2.gz UMIPONGRTXPHCP-GJZGRUSLSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000491128315 332154615 /nfs/dbraw/zinc/15/46/15/332154615.db2.gz ZQJAITIHHZXJKN-UHFFFAOYSA-N 2 2 254.374 0.679 20 30 CCEDLP C#CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000491438630 332211467 /nfs/dbraw/zinc/21/14/67/332211467.db2.gz FCIOYEHVXHFBAN-UHFFFAOYSA-N 2 2 292.427 0.820 20 30 CCEDLP C#C[C@H](C)[N@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000491651820 332265065 /nfs/dbraw/zinc/26/50/65/332265065.db2.gz JHMGXTAKKDPVDX-RYUDHWBXSA-N 2 2 260.341 0.647 20 30 CCEDLP C#C[C@H](C)[N@@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000491651820 332265067 /nfs/dbraw/zinc/26/50/67/332265067.db2.gz JHMGXTAKKDPVDX-RYUDHWBXSA-N 2 2 260.341 0.647 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC000491715839 332305927 /nfs/dbraw/zinc/30/59/27/332305927.db2.gz QYIJYTIWKXVRNK-CYBMUJFWSA-N 2 2 299.365 0.741 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC000491715839 332305928 /nfs/dbraw/zinc/30/59/28/332305928.db2.gz QYIJYTIWKXVRNK-CYBMUJFWSA-N 2 2 299.365 0.741 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)=C(C)C2)CC1 ZINC000491779484 332344318 /nfs/dbraw/zinc/34/43/18/332344318.db2.gz ZSFWTNLUJXDNLC-UHFFFAOYSA-N 2 2 275.396 0.806 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000491779484 332344319 /nfs/dbraw/zinc/34/43/19/332344319.db2.gz ZSFWTNLUJXDNLC-UHFFFAOYSA-N 2 2 275.396 0.806 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CC(OCC)C2)CC1 ZINC000491811393 332363802 /nfs/dbraw/zinc/36/38/02/332363802.db2.gz CSOYLGSZAJCWEN-UHFFFAOYSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CC(OCC)C2)CC1 ZINC000491811393 332363803 /nfs/dbraw/zinc/36/38/03/332363803.db2.gz CSOYLGSZAJCWEN-UHFFFAOYSA-N 2 2 293.411 0.263 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000550645164 334225967 /nfs/dbraw/zinc/22/59/67/334225967.db2.gz WCFICECNZOJNEN-OLZOCXBDSA-N 2 2 289.383 0.970 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000550645164 334225969 /nfs/dbraw/zinc/22/59/69/334225969.db2.gz WCFICECNZOJNEN-OLZOCXBDSA-N 2 2 289.383 0.970 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000336124983 526482909 /nfs/dbraw/zinc/48/29/09/526482909.db2.gz WTRQALCLNIAJIY-HIFRSBDPSA-N 2 2 263.385 0.801 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000336124983 526482913 /nfs/dbraw/zinc/48/29/13/526482913.db2.gz WTRQALCLNIAJIY-HIFRSBDPSA-N 2 2 263.385 0.801 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000336124983 526482916 /nfs/dbraw/zinc/48/29/16/526482916.db2.gz WTRQALCLNIAJIY-HIFRSBDPSA-N 2 2 263.385 0.801 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000336124983 526482922 /nfs/dbraw/zinc/48/29/22/526482922.db2.gz WTRQALCLNIAJIY-HIFRSBDPSA-N 2 2 263.385 0.801 20 30 CCEDLP Cc1nn(-c2cc[nH+]cc2)cc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000783862143 581365922 /nfs/dbraw/zinc/36/59/22/581365922.db2.gz LXSGUQHNQRTBGE-JTQLQIEISA-N 2 2 283.339 0.847 20 30 CCEDLP N#CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739926932 581635712 /nfs/dbraw/zinc/63/57/12/581635712.db2.gz XGFMTBABLZIEDA-CYBMUJFWSA-N 2 2 264.373 0.434 20 30 CCEDLP N#CCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739926932 581635716 /nfs/dbraw/zinc/63/57/16/581635716.db2.gz XGFMTBABLZIEDA-CYBMUJFWSA-N 2 2 264.373 0.434 20 30 CCEDLP CC(C)CN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000771558196 581808450 /nfs/dbraw/zinc/80/84/50/581808450.db2.gz WHDHSKREJIHMIA-UHFFFAOYSA-N 2 2 276.388 0.808 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747401360 581938942 /nfs/dbraw/zinc/93/89/42/581938942.db2.gz VUBWLLKZTDFUHL-KGLIPLIRSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000747401360 581938943 /nfs/dbraw/zinc/93/89/43/581938943.db2.gz VUBWLLKZTDFUHL-KGLIPLIRSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000863860503 613009409 /nfs/dbraw/zinc/00/94/09/613009409.db2.gz KFORCNLJOYEXRR-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000863860503 613009410 /nfs/dbraw/zinc/00/94/10/613009410.db2.gz KFORCNLJOYEXRR-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000969319222 612966436 /nfs/dbraw/zinc/96/64/36/612966436.db2.gz TUEDJRLWILCEHG-GFCCVEGCSA-N 2 2 268.320 0.772 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC000939535080 612968463 /nfs/dbraw/zinc/96/84/63/612968463.db2.gz PARRHTSINRVYCJ-VXGBXAGGSA-N 2 2 274.368 0.757 20 30 CCEDLP C#CCC[N@@H+](CCOC)C[C@@H](O)C[NH+]1CCCC1 ZINC000852751493 612989547 /nfs/dbraw/zinc/98/95/47/612989547.db2.gz FMLMGIRAIDABCV-AWEZNQCLSA-N 2 2 254.374 0.415 20 30 CCEDLP C#CCC[N@H+](CCOC)C[C@@H](O)C[NH+]1CCCC1 ZINC000852751493 612989549 /nfs/dbraw/zinc/98/95/49/612989549.db2.gz FMLMGIRAIDABCV-AWEZNQCLSA-N 2 2 254.374 0.415 20 30 CCEDLP C#CCCOC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000859219911 613049943 /nfs/dbraw/zinc/04/99/43/613049943.db2.gz KWMOSANUAXNFLR-UHFFFAOYSA-N 2 2 255.362 0.619 20 30 CCEDLP C#CCCOC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000859219911 613049945 /nfs/dbraw/zinc/04/99/45/613049945.db2.gz KWMOSANUAXNFLR-UHFFFAOYSA-N 2 2 255.362 0.619 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971817743 613091995 /nfs/dbraw/zinc/09/19/95/613091995.db2.gz JSELIYOWARDBCJ-HIFRSBDPSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971817743 613091996 /nfs/dbraw/zinc/09/19/96/613091996.db2.gz JSELIYOWARDBCJ-HIFRSBDPSA-N 2 2 286.379 0.611 20 30 CCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1CCOCC1 ZINC000853116139 613150377 /nfs/dbraw/zinc/15/03/77/613150377.db2.gz HCZBJLFYVQCBRX-CABCVRRESA-N 2 2 266.385 0.460 20 30 CCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1CCOCC1 ZINC000853116139 613150380 /nfs/dbraw/zinc/15/03/80/613150380.db2.gz HCZBJLFYVQCBRX-CABCVRRESA-N 2 2 266.385 0.460 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948813198 613178486 /nfs/dbraw/zinc/17/84/86/613178486.db2.gz WIWBUERFTXQUQG-AWEZNQCLSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948813198 613178487 /nfs/dbraw/zinc/17/84/87/613178487.db2.gz WIWBUERFTXQUQG-AWEZNQCLSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000890372357 613183792 /nfs/dbraw/zinc/18/37/92/613183792.db2.gz HXRLYFOLDSAGRA-AWEZNQCLSA-N 2 2 290.411 0.574 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000890372357 613183793 /nfs/dbraw/zinc/18/37/93/613183793.db2.gz HXRLYFOLDSAGRA-AWEZNQCLSA-N 2 2 290.411 0.574 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869782177 613202903 /nfs/dbraw/zinc/20/29/03/613202903.db2.gz JGOFMUJEDVDSHJ-KBPBESRZSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869782177 613202905 /nfs/dbraw/zinc/20/29/05/613202905.db2.gz JGOFMUJEDVDSHJ-KBPBESRZSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000869782177 613202906 /nfs/dbraw/zinc/20/29/06/613202906.db2.gz JGOFMUJEDVDSHJ-KBPBESRZSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000869782177 613202908 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ZINC001153495620 800634821 /nfs/dbraw/zinc/63/48/21/800634821.db2.gz LHTDYHUPPUPBQV-LBPRGKRZSA-N 2 2 250.346 0.944 20 30 CCEDLP C[NH+](C)C1(CNc2nccnc2C#N)CC[NH+](C)CC1 ZINC001156175713 801121710 /nfs/dbraw/zinc/12/17/10/801121710.db2.gz BKSKADHUAIPNQH-UHFFFAOYSA-N 2 2 274.372 0.786 20 30 CCEDLP N#CCCN(Cc1cccnc1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157720290 801463181 /nfs/dbraw/zinc/46/31/81/801463181.db2.gz FMOVGPZRPXJDNW-GOEBONIOSA-N 2 2 299.378 0.275 20 30 CCEDLP Cc1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C#N ZINC001158204345 801592355 /nfs/dbraw/zinc/59/23/55/801592355.db2.gz XPVSNDYJCPPJSA-SECBINFHSA-N 2 2 291.742 0.963 20 30 CCEDLP N#Cc1cc(F)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203966 801592835 /nfs/dbraw/zinc/59/28/35/801592835.db2.gz KXMMUWUAGGSVDC-SNVBAGLBSA-N 2 2 261.260 0.140 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161310008 802124234 /nfs/dbraw/zinc/12/42/34/802124234.db2.gz RLOCTFJVTCODDV-ZDUSSCGKSA-N 2 2 274.368 0.565 20 30 CCEDLP N#CCc1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]c1 ZINC001163147781 802494668 /nfs/dbraw/zinc/49/46/68/802494668.db2.gz MAHPMPOSQQICRZ-JSGCOSHPSA-N 2 2 258.325 0.796 20 30 CCEDLP N#Cc1ccnc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205688588 803156525 /nfs/dbraw/zinc/15/65/25/803156525.db2.gz JHPMRIOMKTUFLW-AWEZNQCLSA-N 2 2 260.341 0.629 20 30 CCEDLP N#Cc1ccnc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205688588 803156530 /nfs/dbraw/zinc/15/65/30/803156530.db2.gz JHPMRIOMKTUFLW-AWEZNQCLSA-N 2 2 260.341 0.629 20 30 CCEDLP COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474404 803249009 /nfs/dbraw/zinc/24/90/09/803249009.db2.gz AIGIKWGILJFIGF-QWHCGFSZSA-N 2 2 261.325 0.318 20 30 CCEDLP COc1cc(C#N)ccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474404 803249013 /nfs/dbraw/zinc/24/90/13/803249013.db2.gz AIGIKWGILJFIGF-QWHCGFSZSA-N 2 2 261.325 0.318 20 30 CCEDLP C#CCC[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206684194 803278922 /nfs/dbraw/zinc/27/89/22/803278922.db2.gz WPGGNUMDNNBBSX-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985870 803562471 /nfs/dbraw/zinc/56/24/71/803562471.db2.gz ZSKXDLNXBPUDKP-HZSPNIEDSA-N 2 2 274.368 0.904 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985870 803562474 /nfs/dbraw/zinc/56/24/74/803562474.db2.gz ZSKXDLNXBPUDKP-HZSPNIEDSA-N 2 2 274.368 0.904 20 30 CCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680845 803822597 /nfs/dbraw/zinc/82/25/97/803822597.db2.gz LUYKQZQDIZOYGG-TZMCWYRMSA-N 2 2 290.367 0.039 20 30 CCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216066035 803833768 /nfs/dbraw/zinc/83/37/68/803833768.db2.gz YHUKXFMHURFLRU-VXGBXAGGSA-N 2 2 262.357 0.965 20 30 CCEDLP N#Cc1cnnc(-c2ccccc2)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218717204 804094367 /nfs/dbraw/zinc/09/43/67/804094367.db2.gz AUNHBCDPTPFSLP-LBPRGKRZSA-N 2 2 296.334 0.630 20 30 CCEDLP CC#CC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225174614 805111865 /nfs/dbraw/zinc/11/18/65/805111865.db2.gz SZQJQSYNODUDLX-UHFFFAOYSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674226 815054251 /nfs/dbraw/zinc/05/42/51/815054251.db2.gz DAECHPKKBBRYBN-NFAWXSAZSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674226 815054257 /nfs/dbraw/zinc/05/42/57/815054257.db2.gz DAECHPKKBBRYBN-NFAWXSAZSA-N 2 2 286.379 0.658 20 30 CCEDLP C=CCOC[C@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246035344 807128407 /nfs/dbraw/zinc/12/84/07/807128407.db2.gz RAFHOGSTUBTDAB-KGLIPLIRSA-N 2 2 254.374 0.768 20 30 CCEDLP C=CCOC[C@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246035344 807128413 /nfs/dbraw/zinc/12/84/13/807128413.db2.gz RAFHOGSTUBTDAB-KGLIPLIRSA-N 2 2 254.374 0.768 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001251857473 807723201 /nfs/dbraw/zinc/72/32/01/807723201.db2.gz DIMOYCGDLNUEAU-BFHYXJOUSA-N 2 2 252.358 0.023 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001251857473 807723202 /nfs/dbraw/zinc/72/32/02/807723202.db2.gz DIMOYCGDLNUEAU-BFHYXJOUSA-N 2 2 252.358 0.023 20 30 CCEDLP C#CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001251857473 807723210 /nfs/dbraw/zinc/72/32/10/807723210.db2.gz DIMOYCGDLNUEAU-BFHYXJOUSA-N 2 2 252.358 0.023 20 30 CCEDLP C#CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001251857473 807723217 /nfs/dbraw/zinc/72/32/17/807723217.db2.gz DIMOYCGDLNUEAU-BFHYXJOUSA-N 2 2 252.358 0.023 20 30 CCEDLP C#CCOC[C@@H](O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001251885608 807734631 /nfs/dbraw/zinc/73/46/31/807734631.db2.gz ZGGHZRLSNDOVEJ-KRWDZBQOSA-N 2 2 288.391 0.719 20 30 CCEDLP C=CCN1CCC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001253408524 808061383 /nfs/dbraw/zinc/06/13/83/808061383.db2.gz DSEVOMZYNLMNTB-QWHCGFSZSA-N 2 2 283.416 0.502 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001264380274 809647220 /nfs/dbraw/zinc/64/72/20/809647220.db2.gz GHRARQKESZXENC-GJZGRUSLSA-N 2 2 293.411 0.121 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001264380274 809647222 /nfs/dbraw/zinc/64/72/22/809647222.db2.gz GHRARQKESZXENC-GJZGRUSLSA-N 2 2 293.411 0.121 20 30 CCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001264380274 809647224 /nfs/dbraw/zinc/64/72/24/809647224.db2.gz GHRARQKESZXENC-GJZGRUSLSA-N 2 2 293.411 0.121 20 30 CCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001264380274 809647226 /nfs/dbraw/zinc/64/72/26/809647226.db2.gz GHRARQKESZXENC-GJZGRUSLSA-N 2 2 293.411 0.121 20 30 CCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001265360558 809765328 /nfs/dbraw/zinc/76/53/28/809765328.db2.gz NMTVQAAUQVDAPC-ZFWWWQNUSA-N 2 2 286.379 0.563 20 30 CCEDLP CC#CC[NH2+]CCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001279845637 809998336 /nfs/dbraw/zinc/99/83/36/809998336.db2.gz BTQVICCKKYAHAW-CYBMUJFWSA-N 2 2 292.383 0.022 20 30 CCEDLP CC#CC[NH2+]CCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001279845637 809998341 /nfs/dbraw/zinc/99/83/41/809998341.db2.gz BTQVICCKKYAHAW-CYBMUJFWSA-N 2 2 292.383 0.022 20 30 CCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001268026002 811997328 /nfs/dbraw/zinc/99/73/28/811997328.db2.gz LCUSGJIUNHPHCB-OAHLLOKOSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001268026002 811997331 /nfs/dbraw/zinc/99/73/31/811997331.db2.gz LCUSGJIUNHPHCB-OAHLLOKOSA-N 2 2 295.427 0.721 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028266672 812533342 /nfs/dbraw/zinc/53/33/42/812533342.db2.gz ZPLBYPKQRKMNMA-CYBMUJFWSA-N 2 2 286.379 0.975 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028266672 812533347 /nfs/dbraw/zinc/53/33/47/812533347.db2.gz ZPLBYPKQRKMNMA-CYBMUJFWSA-N 2 2 286.379 0.975 20 30 CCEDLP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644025 812735603 /nfs/dbraw/zinc/73/56/03/812735603.db2.gz SNYIRVXVYBXZQX-ZNMIVQPWSA-N 2 2 293.411 0.426 20 30 CCEDLP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075644025 812735606 /nfs/dbraw/zinc/73/56/06/812735606.db2.gz SNYIRVXVYBXZQX-ZNMIVQPWSA-N 2 2 293.411 0.426 20 30 CCEDLP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644025 812735610 /nfs/dbraw/zinc/73/56/10/812735610.db2.gz SNYIRVXVYBXZQX-ZNMIVQPWSA-N 2 2 293.411 0.426 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644025 812735615 /nfs/dbraw/zinc/73/56/15/812735615.db2.gz SNYIRVXVYBXZQX-ZNMIVQPWSA-N 2 2 293.411 0.426 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028641119 813097106 /nfs/dbraw/zinc/09/71/06/813097106.db2.gz BSRYIYROGTXKHM-KBPBESRZSA-N 2 2 286.379 0.517 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028641119 813097115 /nfs/dbraw/zinc/09/71/15/813097115.db2.gz BSRYIYROGTXKHM-KBPBESRZSA-N 2 2 286.379 0.517 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001270516776 813794376 /nfs/dbraw/zinc/79/43/76/813794376.db2.gz HKLPIQAKJLMDMG-MGPQQGTHSA-N 2 2 288.395 0.889 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106061848 816141360 /nfs/dbraw/zinc/14/13/60/816141360.db2.gz MRSCMDJSOWSZCJ-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C=CC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031784291 817365060 /nfs/dbraw/zinc/36/50/60/817365060.db2.gz OQQNPTXHTQKIDY-ZDUSSCGKSA-N 2 2 274.368 0.680 20 30 CCEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783120 817365475 /nfs/dbraw/zinc/36/54/75/817365475.db2.gz AWHLMDOHRBJWFA-AWEZNQCLSA-N 2 2 286.379 0.517 20 30 CCEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744002 819316314 /nfs/dbraw/zinc/31/63/14/819316314.db2.gz GVPGVMWXLMNEEX-HAQNSBGRSA-N 2 2 260.341 0.602 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001035414598 819518227 /nfs/dbraw/zinc/51/82/27/819518227.db2.gz RXQPOKKDGCSXLU-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035414598 819518231 /nfs/dbraw/zinc/51/82/31/819518231.db2.gz RXQPOKKDGCSXLU-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035414598 819518237 /nfs/dbraw/zinc/51/82/37/819518237.db2.gz RXQPOKKDGCSXLU-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035414598 819518242 /nfs/dbraw/zinc/51/82/42/819518242.db2.gz RXQPOKKDGCSXLU-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC001036003576 819664999 /nfs/dbraw/zinc/66/49/99/819664999.db2.gz HGOPVGQYXOCIJU-STQMWFEESA-N 2 2 274.368 0.802 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081434859 820751898 /nfs/dbraw/zinc/75/18/98/820751898.db2.gz CSXKSHYGUMWATF-JHJVBQTASA-N 2 2 267.373 0.082 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081434859 820751901 /nfs/dbraw/zinc/75/19/01/820751901.db2.gz CSXKSHYGUMWATF-JHJVBQTASA-N 2 2 267.373 0.082 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081434859 820751905 /nfs/dbraw/zinc/75/19/05/820751905.db2.gz CSXKSHYGUMWATF-JHJVBQTASA-N 2 2 267.373 0.082 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081434859 820751908 /nfs/dbraw/zinc/75/19/08/820751908.db2.gz CSXKSHYGUMWATF-JHJVBQTASA-N 2 2 267.373 0.082 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023708 821112922 /nfs/dbraw/zinc/11/29/22/821112922.db2.gz MIGUPPAWNBYZFP-MELADBBJSA-N 2 2 279.384 0.178 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083023708 821112925 /nfs/dbraw/zinc/11/29/25/821112925.db2.gz MIGUPPAWNBYZFP-MELADBBJSA-N 2 2 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C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032625896 897846777 /nfs/dbraw/zinc/84/67/77/897846777.db2.gz NNSWFOLDIWDQTF-RDBSUJKOSA-N 2 2 261.369 0.389 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032625896 897846789 /nfs/dbraw/zinc/84/67/89/897846789.db2.gz NNSWFOLDIWDQTF-RDBSUJKOSA-N 2 2 261.369 0.389 20 30 CCEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001485834407 898037868 /nfs/dbraw/zinc/03/78/68/898037868.db2.gz HBJXPOFWNLLSKS-OAHLLOKOSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001032792669 898264319 /nfs/dbraw/zinc/26/43/19/898264319.db2.gz JMLVJTAPDWKGTB-SOUVJXGZSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001032792669 898264332 /nfs/dbraw/zinc/26/43/32/898264332.db2.gz JMLVJTAPDWKGTB-SOUVJXGZSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001032792669 898264347 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C=CCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001283913435 905079293 /nfs/dbraw/zinc/07/92/93/905079293.db2.gz MFYNBPSXMUYGMA-OCCSQVGLSA-N 2 2 292.383 0.734 20 30 CCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001284520023 905355416 /nfs/dbraw/zinc/35/54/16/905355416.db2.gz MHMYTGUGDATEKZ-ZDUSSCGKSA-N 2 2 280.372 0.210 20 30 CCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001284520023 905355434 /nfs/dbraw/zinc/35/54/34/905355434.db2.gz MHMYTGUGDATEKZ-ZDUSSCGKSA-N 2 2 280.372 0.210 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001316635883 905483512 /nfs/dbraw/zinc/48/35/12/905483512.db2.gz KXEMILZMAUDLMR-JOCQHMNTSA-N 2 2 274.368 0.470 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317162094 909021134 /nfs/dbraw/zinc/02/11/34/909021134.db2.gz LNJQBMQRZNRSLZ-CYBMUJFWSA-N 2 2 274.368 0.722 20 30 CCEDLP C#CCC[N@H+](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317449100 909218998 /nfs/dbraw/zinc/21/89/98/909218998.db2.gz IOKINPLLIDKJLB-UHFFFAOYSA-N 2 2 276.384 0.998 20 30 CCEDLP C#CCC[N@@H+](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317449100 909219004 /nfs/dbraw/zinc/21/90/04/909219004.db2.gz IOKINPLLIDKJLB-UHFFFAOYSA-N 2 2 276.384 0.998 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317526263 909289517 /nfs/dbraw/zinc/28/95/17/909289517.db2.gz FHHWNBJZFSIOJP-CQSZACIVSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317526263 909289541 /nfs/dbraw/zinc/28/95/41/909289541.db2.gz FHHWNBJZFSIOJP-CQSZACIVSA-N 2 2 288.395 0.814 20 30 CCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001321178642 911137296 /nfs/dbraw/zinc/13/72/96/911137296.db2.gz TZKWPYXACVBMIH-NSCUHMNNSA-N 2 2 290.367 0.185 20 30 CCEDLP C#CC[NH2+]CC1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001328949899 915537424 /nfs/dbraw/zinc/53/74/24/915537424.db2.gz MNJWPDIBQIGQNH-UHFFFAOYSA-N 2 2 260.341 0.378 20 30 CCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001331942335 917738427 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CCEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000600770410 362058938 /nfs/dbraw/zinc/05/89/38/362058938.db2.gz YQBBCBRNGBVPHQ-LBPRGKRZSA-N 2 2 288.351 0.547 20 30 CCEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000131690026 136389351 /nfs/dbraw/zinc/38/93/51/136389351.db2.gz BHUYEUSJIIRQFS-ZDUSSCGKSA-N 2 2 297.366 0.755 20 30 CCEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CCn1cc[nH+]c1 ZINC000131690026 136389352 /nfs/dbraw/zinc/38/93/52/136389352.db2.gz BHUYEUSJIIRQFS-ZDUSSCGKSA-N 2 2 297.366 0.755 20 30 CCEDLP N#Cc1cccc(C[NH2+]CCC[NH+]2CCC(O)CC2)n1 ZINC000602522198 362655728 /nfs/dbraw/zinc/65/57/28/362655728.db2.gz DJWMBSHNGGSTTR-UHFFFAOYSA-N 2 2 274.368 0.890 20 30 CCEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847335 362835104 /nfs/dbraw/zinc/83/51/04/362835104.db2.gz AITGNAWGYHTAHL-QLFBSQMISA-N 2 2 282.432 0.606 20 30 CCEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847335 362835109 /nfs/dbraw/zinc/83/51/09/362835109.db2.gz AITGNAWGYHTAHL-QLFBSQMISA-N 2 2 282.432 0.606 20 30 CCEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847335 362835115 /nfs/dbraw/zinc/83/51/15/362835115.db2.gz AITGNAWGYHTAHL-QLFBSQMISA-N 2 2 282.432 0.606 20 30 CCEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847335 362835118 /nfs/dbraw/zinc/83/51/18/362835118.db2.gz AITGNAWGYHTAHL-QLFBSQMISA-N 2 2 282.432 0.606 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889823 362867552 /nfs/dbraw/zinc/86/75/52/362867552.db2.gz DXHMBILTSLZOMD-HIFRSBDPSA-N 2 2 296.415 0.135 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889823 362867554 /nfs/dbraw/zinc/86/75/54/362867554.db2.gz DXHMBILTSLZOMD-HIFRSBDPSA-N 2 2 296.415 0.135 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC(C)(C)C2)CC1 ZINC000083415617 349305466 /nfs/dbraw/zinc/30/54/66/349305466.db2.gz USUUPVQPKLLRRR-UHFFFAOYSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC(C)(C)C2)CC1 ZINC000083415617 349305470 /nfs/dbraw/zinc/30/54/70/349305470.db2.gz USUUPVQPKLLRRR-UHFFFAOYSA-N 2 2 295.452 0.591 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414415 352513762 /nfs/dbraw/zinc/51/37/62/352513762.db2.gz HQUWADPRGOJWGJ-CHWSQXEVSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414415 352513764 /nfs/dbraw/zinc/51/37/64/352513764.db2.gz HQUWADPRGOJWGJ-CHWSQXEVSA-N 2 2 294.399 0.462 20 30 CCEDLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352825950 356091300 /nfs/dbraw/zinc/09/13/00/356091300.db2.gz UUBREGGMIHNVRO-UHFFFAOYSA-N 2 2 293.396 0.268 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157448 363475497 /nfs/dbraw/zinc/47/54/97/363475497.db2.gz QSJUVXHFNLGVLK-GFCCVEGCSA-N 2 2 291.355 0.532 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157448 363475503 /nfs/dbraw/zinc/47/55/03/363475503.db2.gz QSJUVXHFNLGVLK-GFCCVEGCSA-N 2 2 291.355 0.532 20 30 CCEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000591733750 359650044 /nfs/dbraw/zinc/65/00/44/359650044.db2.gz HRBWHIWLJZYDMX-HUUCEWRRSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000591733750 359650047 /nfs/dbraw/zinc/65/00/47/359650047.db2.gz HRBWHIWLJZYDMX-HUUCEWRRSA-N 2 2 289.379 0.982 20 30 CCEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441238 360310336 /nfs/dbraw/zinc/31/03/36/360310336.db2.gz PMZNQTQMYOHVRR-NEPJUHHUSA-N 2 2 263.345 0.799 20 30 CCEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCC#N)C2 ZINC000595507972 360554517 /nfs/dbraw/zinc/55/45/17/360554517.db2.gz SKGAFMCCCOOMAP-CYBMUJFWSA-N 2 2 250.346 0.044 20 30 CCEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCC#N)C2 ZINC000595507972 360554521 /nfs/dbraw/zinc/55/45/21/360554521.db2.gz SKGAFMCCCOOMAP-CYBMUJFWSA-N 2 2 250.346 0.044 20 30 CCEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NCC#N)C2 ZINC000595507972 360554526 /nfs/dbraw/zinc/55/45/26/360554526.db2.gz SKGAFMCCCOOMAP-CYBMUJFWSA-N 2 2 250.346 0.044 20 30 CCEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NCC#N)C2 ZINC000595507972 360554531 /nfs/dbraw/zinc/55/45/31/360554531.db2.gz SKGAFMCCCOOMAP-CYBMUJFWSA-N 2 2 250.346 0.044 20 30 CCEDLP N#CCCOCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863767 360683610 /nfs/dbraw/zinc/68/36/10/360683610.db2.gz OKLAEPUGPHOCGB-CQSZACIVSA-N 2 2 267.373 0.448 20 30 CCEDLP N#CCCOCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595863767 360683612 /nfs/dbraw/zinc/68/36/12/360683612.db2.gz OKLAEPUGPHOCGB-CQSZACIVSA-N 2 2 267.373 0.448 20 30 CCEDLP C[C@@H](C#N)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611623860 363751160 /nfs/dbraw/zinc/75/11/60/363751160.db2.gz DFQYRYBIRHLYLB-STQMWFEESA-N 2 2 293.415 0.614 20 30 CCEDLP C[C@@H](C#N)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611623860 363751165 /nfs/dbraw/zinc/75/11/65/363751165.db2.gz DFQYRYBIRHLYLB-STQMWFEESA-N 2 2 293.415 0.614 20 30 CCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721157 361495597 /nfs/dbraw/zinc/49/55/97/361495597.db2.gz SRJMUNUPZGZVQS-CHWSQXEVSA-N 2 2 268.405 0.123 20 30 CCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721157 361495603 /nfs/dbraw/zinc/49/56/03/361495603.db2.gz SRJMUNUPZGZVQS-CHWSQXEVSA-N 2 2 268.405 0.123 20 30 CCEDLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)n1C ZINC000598719187 361495891 /nfs/dbraw/zinc/49/58/91/361495891.db2.gz IDDCHRMYROOPLD-LBPRGKRZSA-N 2 2 279.388 0.876 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000615778104 365086351 /nfs/dbraw/zinc/08/63/51/365086351.db2.gz NASPEOGSIYFZMY-UTUOFQBUSA-N 2 2 262.357 0.089 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000615778104 365086356 /nfs/dbraw/zinc/08/63/56/365086356.db2.gz NASPEOGSIYFZMY-UTUOFQBUSA-N 2 2 262.357 0.089 20 30 CCEDLP C=C[C@@](C)(O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193032 371943970 /nfs/dbraw/zinc/94/39/70/371943970.db2.gz CLFUJFXZGBNHRA-OAHLLOKOSA-N 2 2 290.367 0.709 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341464 389038884 /nfs/dbraw/zinc/03/88/84/389038884.db2.gz JZFCPMJSLILEEF-OLZOCXBDSA-N 2 2 251.374 0.856 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341464 389038886 /nfs/dbraw/zinc/03/88/86/389038886.db2.gz JZFCPMJSLILEEF-OLZOCXBDSA-N 2 2 251.374 0.856 20 30 CCEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000328934602 389146596 /nfs/dbraw/zinc/14/65/96/389146596.db2.gz IZIZKMQAODPJDJ-BXUZGUMPSA-N 2 2 289.383 0.613 20 30 CCEDLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000328934602 389146599 /nfs/dbraw/zinc/14/65/99/389146599.db2.gz IZIZKMQAODPJDJ-BXUZGUMPSA-N 2 2 289.383 0.613 20 30 CCEDLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000328934602 389146601 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COCCNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000264106788 389306741 /nfs/dbraw/zinc/30/67/41/389306741.db2.gz PTGOJQQGQAKIQL-UHFFFAOYSA-N 2 2 264.373 0.669 20 30 CCEDLP COCCNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000264106788 389306743 /nfs/dbraw/zinc/30/67/43/389306743.db2.gz PTGOJQQGQAKIQL-UHFFFAOYSA-N 2 2 264.373 0.669 20 30 CCEDLP C[C@@H](CCC#N)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000411323998 389424824 /nfs/dbraw/zinc/42/48/24/389424824.db2.gz JXRCWGKCLCUZLB-KBPBESRZSA-N 2 2 278.400 0.917 20 30 CCEDLP C[C@@H](CCC#N)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000411323998 389424825 /nfs/dbraw/zinc/42/48/25/389424825.db2.gz JXRCWGKCLCUZLB-KBPBESRZSA-N 2 2 278.400 0.917 20 30 CCEDLP C[C@H](CCC#N)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000411324002 389424962 /nfs/dbraw/zinc/42/49/62/389424962.db2.gz JXRCWGKCLCUZLB-ZIAGYGMSSA-N 2 2 278.400 0.917 20 30 CCEDLP C[C@H](CCC#N)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000411324002 389424965 /nfs/dbraw/zinc/42/49/65/389424965.db2.gz JXRCWGKCLCUZLB-ZIAGYGMSSA-N 2 2 278.400 0.917 20 30 CCEDLP Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)c(C#N)c[nH+]1 ZINC000425208739 389642137 /nfs/dbraw/zinc/64/21/37/389642137.db2.gz PNGMBZWVVOJZAG-CQSZACIVSA-N 2 2 274.368 0.942 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430606765 389812348 /nfs/dbraw/zinc/81/23/48/389812348.db2.gz ARWALPIXFKJESN-NEPJUHHUSA-N 2 2 282.388 0.318 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430606765 389812351 /nfs/dbraw/zinc/81/23/51/389812351.db2.gz ARWALPIXFKJESN-NEPJUHHUSA-N 2 2 282.388 0.318 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000519425463 390501537 /nfs/dbraw/zinc/50/15/37/390501537.db2.gz RGLYBELIGNJZOJ-JVWICGRDSA-N 2 2 263.385 0.977 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000519425463 390501541 /nfs/dbraw/zinc/50/15/41/390501541.db2.gz RGLYBELIGNJZOJ-JVWICGRDSA-N 2 2 263.385 0.977 20 30 CCEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000578713845 390898624 /nfs/dbraw/zinc/89/86/24/390898624.db2.gz BGJZWHBXKZNZSV-DZGCQCFKSA-N 2 2 290.411 0.965 20 30 CCEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000578713845 390898626 /nfs/dbraw/zinc/89/86/26/390898626.db2.gz BGJZWHBXKZNZSV-DZGCQCFKSA-N 2 2 290.411 0.965 20 30 CCEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000578713845 390898627 /nfs/dbraw/zinc/89/86/27/390898627.db2.gz BGJZWHBXKZNZSV-DZGCQCFKSA-N 2 2 290.411 0.965 20 30 CCEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000578713845 390898628 /nfs/dbraw/zinc/89/86/28/390898628.db2.gz BGJZWHBXKZNZSV-DZGCQCFKSA-N 2 2 290.411 0.965 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])C1=O ZINC000662315450 414708899 /nfs/dbraw/zinc/70/88/99/414708899.db2.gz PSQSPSWUEKNXGA-FRRDWIJNSA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])C1=O ZINC000662315450 414708900 /nfs/dbraw/zinc/70/89/00/414708900.db2.gz PSQSPSWUEKNXGA-FRRDWIJNSA-N 2 2 251.374 0.833 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CCC[NH2+]1 ZINC000662715616 414745682 /nfs/dbraw/zinc/74/56/82/414745682.db2.gz UUFYZGIKBSXRDP-ZFWWWQNUSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCC[NH2+]1 ZINC000662715616 414745683 /nfs/dbraw/zinc/74/56/83/414745683.db2.gz UUFYZGIKBSXRDP-ZFWWWQNUSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCC[NH2+]1 ZINC000662715852 414745712 /nfs/dbraw/zinc/74/57/12/414745712.db2.gz WTSUJMFNKZEGMM-INIZCTEOSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCC[NH2+]1 ZINC000662715852 414745713 /nfs/dbraw/zinc/74/57/13/414745713.db2.gz WTSUJMFNKZEGMM-INIZCTEOSA-N 2 2 295.427 0.912 20 30 CCEDLP O=C(C[N@H+]1C[C@@H](F)C[C@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000328949207 545020013 /nfs/dbraw/zinc/02/00/13/545020013.db2.gz CAYUDUIDZFCZAO-FZMZJTMJSA-N 2 2 299.390 0.974 20 30 CCEDLP O=C(C[N@@H+]1C[C@@H](F)C[C@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000328949207 545020016 /nfs/dbraw/zinc/02/00/16/545020016.db2.gz CAYUDUIDZFCZAO-FZMZJTMJSA-N 2 2 299.390 0.974 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000407989395 260153346 /nfs/dbraw/zinc/15/33/46/260153346.db2.gz HCBNNQFIVQBXIN-RBSFLKMASA-N 2 2 290.411 0.917 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000407989395 260153348 /nfs/dbraw/zinc/15/33/48/260153348.db2.gz HCBNNQFIVQBXIN-RBSFLKMASA-N 2 2 290.411 0.917 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCc1c(C)noc1C ZINC000155885278 261109287 /nfs/dbraw/zinc/10/92/87/261109287.db2.gz IKHBITZDMYEWOX-UHFFFAOYSA-N 2 2 276.344 0.853 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)(C)CC)CC1 ZINC000491038856 261305173 /nfs/dbraw/zinc/30/51/73/261305173.db2.gz LXMLSCPEXNIKOY-UHFFFAOYSA-N 2 2 265.401 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)(C)CC)CC1 ZINC000491038856 261305174 /nfs/dbraw/zinc/30/51/74/261305174.db2.gz LXMLSCPEXNIKOY-UHFFFAOYSA-N 2 2 265.401 0.884 20 30 CCEDLP CN(C)C(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264111995 262873579 /nfs/dbraw/zinc/87/35/79/262873579.db2.gz OYPPVCIUYJUMBC-AWEZNQCLSA-N 2 2 276.384 0.764 20 30 CCEDLP CN(C)C(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264111995 262873580 /nfs/dbraw/zinc/87/35/80/262873580.db2.gz OYPPVCIUYJUMBC-AWEZNQCLSA-N 2 2 276.384 0.764 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843326 267274232 /nfs/dbraw/zinc/27/42/32/267274232.db2.gz KIDQLTIAFKUWSM-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843326 267274234 /nfs/dbraw/zinc/27/42/34/267274234.db2.gz KIDQLTIAFKUWSM-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843326 267274236 /nfs/dbraw/zinc/27/42/36/267274236.db2.gz KIDQLTIAFKUWSM-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843326 267274240 /nfs/dbraw/zinc/27/42/40/267274240.db2.gz KIDQLTIAFKUWSM-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CC[C@@H](CC)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563592821 328075526 /nfs/dbraw/zinc/07/55/26/328075526.db2.gz WTEGYNKARBPARG-VXGBXAGGSA-N 2 2 254.378 0.625 20 30 CCEDLP C=CC[C@@H](CC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563592821 328075528 /nfs/dbraw/zinc/07/55/28/328075528.db2.gz WTEGYNKARBPARG-VXGBXAGGSA-N 2 2 254.378 0.625 20 30 CCEDLP C=CCCOCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564849715 327014523 /nfs/dbraw/zinc/01/45/23/327014523.db2.gz OIUBDMBAOKUASF-QLFBSQMISA-N 2 2 286.416 0.639 20 30 CCEDLP C=CCCOCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564849715 327014524 /nfs/dbraw/zinc/01/45/24/327014524.db2.gz OIUBDMBAOKUASF-QLFBSQMISA-N 2 2 286.416 0.639 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000171690503 329078646 /nfs/dbraw/zinc/07/86/46/329078646.db2.gz NOUYVUMLBXSJIQ-UHFFFAOYSA-N 2 2 296.415 0.268 20 30 CCEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CC[C@]2(CCOC2)C1 ZINC000261946012 329990325 /nfs/dbraw/zinc/99/03/25/329990325.db2.gz FXHOAYDOIZGSOU-HNNXBMFYSA-N 2 2 280.416 0.770 20 30 CCEDLP C=C(C)COCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422988658 330162943 /nfs/dbraw/zinc/16/29/43/330162943.db2.gz JRASIHFYCKDPQW-UONOGXRCSA-N 2 2 254.374 0.936 20 30 CCEDLP CC(C)(CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424131469 330262538 /nfs/dbraw/zinc/26/25/38/330262538.db2.gz GSDBXHJTMYCQCV-GFCCVEGCSA-N 2 2 282.388 0.235 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000490739912 332110608 /nfs/dbraw/zinc/11/06/08/332110608.db2.gz HRCJYXBSEJGPOD-GJZGRUSLSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(CCC)CCOC2)CC1 ZINC000491209870 332166605 /nfs/dbraw/zinc/16/66/05/332166605.db2.gz MXRYCGRLSFZSFK-MRXNPFEDSA-N 2 2 293.411 0.313 20 30 CCEDLP C#C[C@H](C)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000491306303 332186444 /nfs/dbraw/zinc/18/64/44/332186444.db2.gz MIDUYWUVOPDCOH-ZDUSSCGKSA-N 2 2 280.416 0.676 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000491463541 332216530 /nfs/dbraw/zinc/21/65/30/332216530.db2.gz NQLGNEWBYYSLHT-MRXNPFEDSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000491463541 332216531 /nfs/dbraw/zinc/21/65/31/332216531.db2.gz NQLGNEWBYYSLHT-MRXNPFEDSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000491526201 332230577 /nfs/dbraw/zinc/23/05/77/332230577.db2.gz YAXXVHZGOODKMV-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000491526201 332230578 /nfs/dbraw/zinc/23/05/78/332230578.db2.gz YAXXVHZGOODKMV-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP C#CCNC(=O)CC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000491692071 332288663 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C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000989079704 633145109 /nfs/dbraw/zinc/14/51/09/633145109.db2.gz XXRCKFJTEORATN-NWDGAFQWSA-N 2 2 290.367 0.562 20 30 CCEDLP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000989708066 633347013 /nfs/dbraw/zinc/34/70/13/633347013.db2.gz NCIOEYDGUNECSN-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989708066 633347016 /nfs/dbraw/zinc/34/70/16/633347016.db2.gz NCIOEYDGUNECSN-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000989708066 633347018 /nfs/dbraw/zinc/34/70/18/633347018.db2.gz NCIOEYDGUNECSN-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000989708066 633347023 /nfs/dbraw/zinc/34/70/23/633347023.db2.gz NCIOEYDGUNECSN-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009539937 650148306 /nfs/dbraw/zinc/14/83/06/650148306.db2.gz VYJYIAPIAPZUQJ-AWEZNQCLSA-N 2 2 263.385 0.686 20 30 CCEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001009539937 650148309 /nfs/dbraw/zinc/14/83/09/650148309.db2.gz VYJYIAPIAPZUQJ-AWEZNQCLSA-N 2 2 263.385 0.686 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994403990 637934557 /nfs/dbraw/zinc/93/45/57/637934557.db2.gz DGQANHDVFQUBCB-GXTWGEPZSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC000994403990 637934561 /nfs/dbraw/zinc/93/45/61/637934561.db2.gz DGQANHDVFQUBCB-GXTWGEPZSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000997095051 638851853 /nfs/dbraw/zinc/85/18/53/638851853.db2.gz YISDDTVBSUHAQU-UHFFFAOYSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000999425489 638981143 /nfs/dbraw/zinc/98/11/43/638981143.db2.gz GTCQSRAXCLWNSA-NWINJMCUSA-N 2 2 286.379 0.736 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001014999329 650513649 /nfs/dbraw/zinc/51/36/49/650513649.db2.gz IADBWIRBWVHSCW-STQMWFEESA-N 2 2 272.352 0.269 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001014999329 650513650 /nfs/dbraw/zinc/51/36/50/650513650.db2.gz IADBWIRBWVHSCW-STQMWFEESA-N 2 2 272.352 0.269 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015015723 650515091 /nfs/dbraw/zinc/51/50/91/650515091.db2.gz UMQPETSEXBLCEG-KBPBESRZSA-N 2 2 286.379 0.659 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015015723 650515093 /nfs/dbraw/zinc/51/50/93/650515093.db2.gz UMQPETSEXBLCEG-KBPBESRZSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001015722434 650616503 /nfs/dbraw/zinc/61/65/03/650616503.db2.gz FTPWIZRTEFBBIS-YNEHKIRRSA-N 2 2 272.352 0.347 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001015722434 650616504 /nfs/dbraw/zinc/61/65/04/650616504.db2.gz FTPWIZRTEFBBIS-YNEHKIRRSA-N 2 2 272.352 0.347 20 30 CCEDLP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017440379 650802341 /nfs/dbraw/zinc/80/23/41/650802341.db2.gz FYXAXUJBSUVORK-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017440379 650802342 /nfs/dbraw/zinc/80/23/42/650802342.db2.gz FYXAXUJBSUVORK-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017440379 650802345 /nfs/dbraw/zinc/80/23/45/650802345.db2.gz FYXAXUJBSUVORK-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017440379 650802346 /nfs/dbraw/zinc/80/23/46/650802346.db2.gz FYXAXUJBSUVORK-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)Cn1cc[nH+]c1 ZINC000852861163 644028622 /nfs/dbraw/zinc/02/86/22/644028622.db2.gz PQZIZNZMGSYGQA-ZDUSSCGKSA-N 2 2 274.368 0.638 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001019642313 650995482 /nfs/dbraw/zinc/99/54/82/650995482.db2.gz KCRDKCVPRFBLOI-ZDUSSCGKSA-N 2 2 295.346 0.705 20 30 CCEDLP C[C@@H]1C[N@H+](CC(=O)NCCC#N)CCN1c1cc[nH+]cc1 ZINC000880262350 647176096 /nfs/dbraw/zinc/17/60/96/647176096.db2.gz XFDVLPOUNBPUBP-CYBMUJFWSA-N 2 2 287.367 0.622 20 30 CCEDLP C[C@@H]1C[N@@H+](CC(=O)NCCC#N)CCN1c1cc[nH+]cc1 ZINC000880262350 647176107 /nfs/dbraw/zinc/17/61/07/647176107.db2.gz XFDVLPOUNBPUBP-CYBMUJFWSA-N 2 2 287.367 0.622 20 30 CCEDLP Cc1cc(NC(=O)NCC#CC[NH+](C)C)c(C)c[nH+]1 ZINC000930625207 648883607 /nfs/dbraw/zinc/88/36/07/648883607.db2.gz GDAABCALFXPTDG-UHFFFAOYSA-N 2 2 260.341 0.807 20 30 CCEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@H]4COC[C@@H](C3)C4[NH3+])c12 ZINC001167188113 790688642 /nfs/dbraw/zinc/68/86/42/790688642.db2.gz REXKXEDSVGVMIX-BVUQATHDSA-N 2 2 283.335 0.844 20 30 CCEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001277699753 805969847 /nfs/dbraw/zinc/96/98/47/805969847.db2.gz PJNUBEJSPQPNNB-ZDUSSCGKSA-N 2 2 281.400 0.283 20 30 CCEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001277699753 805969851 /nfs/dbraw/zinc/96/98/51/805969851.db2.gz PJNUBEJSPQPNNB-ZDUSSCGKSA-N 2 2 281.400 0.283 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038252216 793228943 /nfs/dbraw/zinc/22/89/43/793228943.db2.gz KSFAMYHVTMWCCY-ZIAGYGMSSA-N 2 2 261.369 0.152 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038252216 793228946 /nfs/dbraw/zinc/22/89/46/793228946.db2.gz KSFAMYHVTMWCCY-ZIAGYGMSSA-N 2 2 261.369 0.152 20 30 CCEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C[C@@H](C)[NH3+])C2)C1=O ZINC001235495001 806435073 /nfs/dbraw/zinc/43/50/73/806435073.db2.gz VCWNYFZGZOWDSU-TZMCWYRMSA-N 2 2 251.374 0.834 20 30 CCEDLP C=CCN1CC[C@@]2(CCC[N@H+](C[C@@H](C)[NH3+])C2)C1=O ZINC001235495001 806435079 /nfs/dbraw/zinc/43/50/79/806435079.db2.gz VCWNYFZGZOWDSU-TZMCWYRMSA-N 2 2 251.374 0.834 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161209143 799968806 /nfs/dbraw/zinc/96/88/06/799968806.db2.gz ABHLOSKGKRXGMQ-GFCCVEGCSA-N 2 2 260.341 0.175 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150819131 800369679 /nfs/dbraw/zinc/36/96/79/800369679.db2.gz YBXQDJIOXJKFCH-ZDUSSCGKSA-N 2 2 278.356 0.276 20 30 CCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150819131 800369686 /nfs/dbraw/zinc/36/96/86/800369686.db2.gz YBXQDJIOXJKFCH-ZDUSSCGKSA-N 2 2 278.356 0.276 20 30 CCEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815533 800461464 /nfs/dbraw/zinc/46/14/64/800461464.db2.gz WQKKXCXMIQOOOE-HNNXBMFYSA-N 2 2 295.427 0.769 20 30 CCEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747434 801469656 /nfs/dbraw/zinc/46/96/56/801469656.db2.gz HAPFKNHJXJCKMO-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157747434 801469663 /nfs/dbraw/zinc/46/96/63/801469663.db2.gz HAPFKNHJXJCKMO-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157747434 801469668 /nfs/dbraw/zinc/46/96/68/801469668.db2.gz HAPFKNHJXJCKMO-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP Cc1nc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C#N ZINC001158206656 801594565 /nfs/dbraw/zinc/59/45/65/801594565.db2.gz WXOKOIVKHHHJNW-MRVPVSSYSA-N 2 2 292.730 0.358 20 30 CCEDLP C=CCOc1cc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206414 801594579 /nfs/dbraw/zinc/59/45/79/801594579.db2.gz NNKBOQKPEAORQU-LLVKDONJSA-N 2 2 289.339 0.398 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001161387225 802144317 /nfs/dbraw/zinc/14/43/17/802144317.db2.gz PAJHTKAPEKWRJC-DOMZBBRYSA-N 2 2 273.336 0.720 20 30 CCEDLP C[NH+](C)C1(CNc2cc(C#N)ncn2)CC[NH+](C)CC1 ZINC001164206988 802688583 /nfs/dbraw/zinc/68/85/83/802688583.db2.gz OQEWLAASADKVLL-UHFFFAOYSA-N 2 2 274.372 0.786 20 30 CCEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302868 803647096 /nfs/dbraw/zinc/64/70/96/803647096.db2.gz HSMWZBYRCQYSKU-LBPRGKRZSA-N 2 2 260.341 0.556 20 30 CCEDLP N#Cc1cc2cccnc2nc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218544397 803997971 /nfs/dbraw/zinc/99/79/71/803997971.db2.gz QAEDEEXQUPKOIX-UHFFFAOYSA-N 2 2 296.334 0.521 20 30 CCEDLP N#Cc1c2c(sc1NC(=O)C1(F)C[NH2+]C1)C[NH2+]CC2 ZINC001218554590 804001187 /nfs/dbraw/zinc/00/11/87/804001187.db2.gz UHIQYVIODPISCQ-UHFFFAOYSA-N 2 2 280.328 0.515 20 30 CCEDLP COC(=O)c1scc(C#N)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218605998 804031822 /nfs/dbraw/zinc/03/18/22/804031822.db2.gz YMSHYCKIMYDRLV-ZETCQYMHSA-N 2 2 282.325 0.021 20 30 CCEDLP N#Cc1cccc2[nH]nc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)c21 ZINC001218656995 804065900 /nfs/dbraw/zinc/06/59/00/804065900.db2.gz VWWMCGBTRLSJSL-SNVBAGLBSA-N 2 2 295.306 0.666 20 30 CCEDLP N#Cc1n[nH]cc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218655912 804067398 /nfs/dbraw/zinc/06/73/98/804067398.db2.gz MITXJIRGRVIUOY-JTQLQIEISA-N 2 2 270.296 0.492 20 30 CCEDLP N=C(c1ccccc1N)N(O)C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218965571 804167037 /nfs/dbraw/zinc/16/70/37/804167037.db2.gz LEBQODNCFZCHFL-UHFFFAOYSA-N 2 2 291.355 0.154 20 30 CCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441401 804604102 /nfs/dbraw/zinc/60/41/02/804604102.db2.gz APENVKUOVYPTGJ-MJBXVCDLSA-N 2 2 292.383 0.572 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441401 804604107 /nfs/dbraw/zinc/60/41/07/804604107.db2.gz APENVKUOVYPTGJ-MJBXVCDLSA-N 2 2 292.383 0.572 20 30 CCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520316 804618372 /nfs/dbraw/zinc/61/83/72/804618372.db2.gz QSOFOOHHBUMBTB-YUTCNCBUSA-N 2 2 292.383 0.326 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520316 804618374 /nfs/dbraw/zinc/61/83/74/804618374.db2.gz QSOFOOHHBUMBTB-YUTCNCBUSA-N 2 2 292.383 0.326 20 30 CCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520316 804618375 /nfs/dbraw/zinc/61/83/75/804618375.db2.gz QSOFOOHHBUMBTB-YUTCNCBUSA-N 2 2 292.383 0.326 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520316 804618377 /nfs/dbraw/zinc/61/83/77/804618377.db2.gz QSOFOOHHBUMBTB-YUTCNCBUSA-N 2 2 292.383 0.326 20 30 CCEDLP CC(C)C[C@](C)(C#N)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221292171 804768478 /nfs/dbraw/zinc/76/84/78/804768478.db2.gz HEQPESBEXLIVIS-BNOWGMLFSA-N 2 2 264.373 0.382 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222082745 804864038 /nfs/dbraw/zinc/86/40/38/804864038.db2.gz XQGIMQIREQGOHZ-CQSZACIVSA-N 2 2 274.368 0.877 20 30 CCEDLP C=CC[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224656901 805067502 /nfs/dbraw/zinc/06/75/02/805067502.db2.gz MYDURUAYASRWJQ-UHFFFAOYSA-N 2 2 262.357 0.966 20 30 CCEDLP C=C[C@](C)(O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245988821 807108212 /nfs/dbraw/zinc/10/82/12/807108212.db2.gz WWACKAHIWGPGPE-OLZOCXBDSA-N 3 2 253.390 0.387 20 30 CCEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246307441 807216726 /nfs/dbraw/zinc/21/67/26/807216726.db2.gz MONJHZYHNGMTBH-BYCMXARLSA-N 2 2 259.353 0.659 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[NH2+][C@H](C)C1 ZINC001246306383 807217054 /nfs/dbraw/zinc/21/70/54/807217054.db2.gz WOOXFKZVJGHXND-AGIUHOORSA-N 3 2 269.389 0.553 20 30 CCEDLP C=CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001280534488 810029379 /nfs/dbraw/zinc/02/93/79/810029379.db2.gz XZPFPTYSDHPRKV-UHFFFAOYSA-N 2 2 262.357 0.777 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077233173 815465203 /nfs/dbraw/zinc/46/52/03/815465203.db2.gz MUZDDGUCDSJFTK-HUUCEWRRSA-N 2 2 298.346 0.361 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077233173 815465205 /nfs/dbraw/zinc/46/52/05/815465205.db2.gz MUZDDGUCDSJFTK-HUUCEWRRSA-N 2 2 298.346 0.361 20 30 CCEDLP C=C(C)CNC(=O)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001219879487 811705529 /nfs/dbraw/zinc/70/55/29/811705529.db2.gz GXGIXCLOCHKCCE-STQMWFEESA-N 2 2 251.374 0.753 20 30 CCEDLP C=C(C)CNC(=O)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001219879487 811705532 /nfs/dbraw/zinc/70/55/32/811705532.db2.gz GXGIXCLOCHKCCE-STQMWFEESA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001268327285 812489439 /nfs/dbraw/zinc/48/94/39/812489439.db2.gz JXJRPUYYEARYCI-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001268327285 812489444 /nfs/dbraw/zinc/48/94/44/812489444.db2.gz JXJRPUYYEARYCI-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]ccc1OC)C1CC1 ZINC001269085609 813208663 /nfs/dbraw/zinc/20/86/63/813208663.db2.gz WDXVCLOHXSFCRF-AWEZNQCLSA-N 2 2 287.363 0.750 20 30 CCEDLP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001270830910 813961664 /nfs/dbraw/zinc/96/16/64/813961664.db2.gz URYZQEUXQXYUQJ-MRXNPFEDSA-N 2 2 288.395 0.814 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H]1CC ZINC001087775031 814210974 /nfs/dbraw/zinc/21/09/74/814210974.db2.gz XBMJRQAMCBYEKH-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H]1CC ZINC001087775031 814210981 /nfs/dbraw/zinc/21/09/81/814210981.db2.gz XBMJRQAMCBYEKH-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271996732 814670635 /nfs/dbraw/zinc/67/06/35/814670635.db2.gz QCSLGABFFAMJDJ-HNNXBMFYSA-N 2 2 292.383 0.390 20 30 CCEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271996732 814670640 /nfs/dbraw/zinc/67/06/40/814670640.db2.gz QCSLGABFFAMJDJ-HNNXBMFYSA-N 2 2 292.383 0.390 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030321940 815976379 /nfs/dbraw/zinc/97/63/79/815976379.db2.gz QKMJTPPFZBWJAL-CQSZACIVSA-N 2 2 263.385 0.705 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106749848 816893652 /nfs/dbraw/zinc/89/36/52/816893652.db2.gz HPZPKXGTFSGBHL-BFHYXJOUSA-N 2 2 288.395 0.906 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106749848 816893657 /nfs/dbraw/zinc/89/36/57/816893657.db2.gz HPZPKXGTFSGBHL-BFHYXJOUSA-N 2 2 288.395 0.906 20 30 CCEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031923239 817468369 /nfs/dbraw/zinc/46/83/69/817468369.db2.gz WZLGGTYKEFKFOO-HNNXBMFYSA-N 2 2 293.411 0.167 20 30 CCEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001031923239 817468373 /nfs/dbraw/zinc/46/83/73/817468373.db2.gz WZLGGTYKEFKFOO-HNNXBMFYSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089880440 817644719 /nfs/dbraw/zinc/64/47/19/817644719.db2.gz LJAGVHVLFKNALZ-YJNKXOJESA-N 2 2 298.390 0.754 20 30 CCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089880440 817644722 /nfs/dbraw/zinc/64/47/22/817644722.db2.gz LJAGVHVLFKNALZ-YJNKXOJESA-N 2 2 298.390 0.754 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001044686439 818641185 /nfs/dbraw/zinc/64/11/85/818641185.db2.gz VQCBIVSFGMXYNA-ZIAGYGMSSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358012 818739272 /nfs/dbraw/zinc/73/92/72/818739272.db2.gz MKMSWBIIEPRDAQ-CABCVRRESA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358012 818739276 /nfs/dbraw/zinc/73/92/76/818739276.db2.gz MKMSWBIIEPRDAQ-CABCVRRESA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358012 818739281 /nfs/dbraw/zinc/73/92/81/818739281.db2.gz MKMSWBIIEPRDAQ-CABCVRRESA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358012 818739290 /nfs/dbraw/zinc/73/92/90/818739290.db2.gz MKMSWBIIEPRDAQ-CABCVRRESA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001044880066 818837758 /nfs/dbraw/zinc/83/77/58/818837758.db2.gz XZTBBRJUTHZALB-CHWSQXEVSA-N 2 2 260.341 0.485 20 30 CCEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033670395 818879527 /nfs/dbraw/zinc/87/95/27/818879527.db2.gz BCKSBTUBKQPVFP-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033670395 818879532 /nfs/dbraw/zinc/87/95/32/818879532.db2.gz BCKSBTUBKQPVFP-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033670395 818879539 /nfs/dbraw/zinc/87/95/39/818879539.db2.gz BCKSBTUBKQPVFP-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033670395 818879546 /nfs/dbraw/zinc/87/95/46/818879546.db2.gz BCKSBTUBKQPVFP-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033780116 818938552 /nfs/dbraw/zinc/93/85/52/818938552.db2.gz GHSSTFIVMVTXSF-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033780116 818938559 /nfs/dbraw/zinc/93/85/59/818938559.db2.gz GHSSTFIVMVTXSF-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001033780116 818938562 /nfs/dbraw/zinc/93/85/62/818938562.db2.gz GHSSTFIVMVTXSF-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001033780116 818938568 /nfs/dbraw/zinc/93/85/68/818938568.db2.gz GHSSTFIVMVTXSF-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033875706 818971878 /nfs/dbraw/zinc/97/18/78/818971878.db2.gz YTPOXNAOADTWED-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033875706 818971884 /nfs/dbraw/zinc/97/18/84/818971884.db2.gz YTPOXNAOADTWED-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033875706 818971887 /nfs/dbraw/zinc/97/18/87/818971887.db2.gz YTPOXNAOADTWED-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033875706 818971893 /nfs/dbraw/zinc/97/18/93/818971893.db2.gz YTPOXNAOADTWED-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034491491 819215862 /nfs/dbraw/zinc/21/58/62/819215862.db2.gz VLPSEUYEAOZIIP-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034491491 819215866 /nfs/dbraw/zinc/21/58/66/819215866.db2.gz VLPSEUYEAOZIIP-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034543373 819239216 /nfs/dbraw/zinc/23/92/16/819239216.db2.gz WYIXHHQDILEQJI-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034543373 819239224 /nfs/dbraw/zinc/23/92/24/819239224.db2.gz WYIXHHQDILEQJI-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034543373 819239231 /nfs/dbraw/zinc/23/92/31/819239231.db2.gz WYIXHHQDILEQJI-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034543373 819239235 /nfs/dbraw/zinc/23/92/35/819239235.db2.gz WYIXHHQDILEQJI-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001036114081 819689744 /nfs/dbraw/zinc/68/97/44/819689744.db2.gz BCWXEQIONXRGBC-KBPBESRZSA-N 2 2 288.395 0.813 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165618 819971675 /nfs/dbraw/zinc/97/16/75/819971675.db2.gz LETBLHYWCWSKEY-HNNXBMFYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165618 819971679 /nfs/dbraw/zinc/97/16/79/819971679.db2.gz LETBLHYWCWSKEY-HNNXBMFYSA-N 2 2 283.416 0.721 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037119 820672225 /nfs/dbraw/zinc/67/22/25/820672225.db2.gz XGBWJOASSOVVDY-CHWSQXEVSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037119 820672232 /nfs/dbraw/zinc/67/22/32/820672232.db2.gz XGBWJOASSOVVDY-CHWSQXEVSA-N 2 2 260.341 0.343 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855398 820854330 /nfs/dbraw/zinc/85/43/30/820854330.db2.gz CIUTUIJFKFKEJR-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855398 820854350 /nfs/dbraw/zinc/85/43/50/820854350.db2.gz CIUTUIJFKFKEJR-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081855398 820854352 /nfs/dbraw/zinc/85/43/52/820854352.db2.gz CIUTUIJFKFKEJR-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081855398 820854365 /nfs/dbraw/zinc/85/43/65/820854365.db2.gz CIUTUIJFKFKEJR-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370310 820947939 /nfs/dbraw/zinc/94/79/39/820947939.db2.gz BFDWPSGZJKHFCG-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370310 820947945 /nfs/dbraw/zinc/94/79/45/820947945.db2.gz BFDWPSGZJKHFCG-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H](OC)C1 ZINC001082384508 820952945 /nfs/dbraw/zinc/95/29/45/820952945.db2.gz APACVYJGJFUBEZ-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001082384508 820952950 /nfs/dbraw/zinc/95/29/50/820952950.db2.gz APACVYJGJFUBEZ-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384508 820952956 /nfs/dbraw/zinc/95/29/56/820952956.db2.gz APACVYJGJFUBEZ-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384508 820952961 /nfs/dbraw/zinc/95/29/61/820952961.db2.gz APACVYJGJFUBEZ-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1C ZINC001082732532 821027867 /nfs/dbraw/zinc/02/78/67/821027867.db2.gz INHQHHBMCZPGSV-MBNYWOFBSA-N 2 2 286.379 0.899 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001082772303 821031942 /nfs/dbraw/zinc/03/19/42/821031942.db2.gz IJKPNWVYDZULFK-MGPQQGTHSA-N 2 2 274.368 0.904 20 30 CCEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091885 821196642 /nfs/dbraw/zinc/19/66/42/821196642.db2.gz UQKOBBWDUJJKOR-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091885 821196656 /nfs/dbraw/zinc/19/66/56/821196656.db2.gz UQKOBBWDUJJKOR-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091885 821196660 /nfs/dbraw/zinc/19/66/60/821196660.db2.gz UQKOBBWDUJJKOR-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091885 821196667 /nfs/dbraw/zinc/19/66/67/821196667.db2.gz UQKOBBWDUJJKOR-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084560321 821314492 /nfs/dbraw/zinc/31/44/92/821314492.db2.gz KPBKNBOUJJYBTP-ZIAGYGMSSA-N 2 2 272.352 0.439 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084560321 821314500 /nfs/dbraw/zinc/31/45/00/821314500.db2.gz KPBKNBOUJJYBTP-ZIAGYGMSSA-N 2 2 272.352 0.439 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001108213596 821983974 /nfs/dbraw/zinc/98/39/74/821983974.db2.gz PJNJHKOXUWAUFA-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108213596 821983982 /nfs/dbraw/zinc/98/39/82/821983982.db2.gz PJNJHKOXUWAUFA-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213596 821983990 /nfs/dbraw/zinc/98/39/90/821983990.db2.gz PJNJHKOXUWAUFA-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213596 821983997 /nfs/dbraw/zinc/98/39/97/821983997.db2.gz PJNJHKOXUWAUFA-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP CC#CC[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113277588 837077986 /nfs/dbraw/zinc/07/79/86/837077986.db2.gz USWFXDVPMSKNKQ-UHFFFAOYSA-N 2 2 251.374 0.496 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001113358113 837100647 /nfs/dbraw/zinc/10/06/47/837100647.db2.gz YSPMBDJTLXGQSK-OAHLLOKOSA-N 2 2 295.427 0.818 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195377 838330901 /nfs/dbraw/zinc/33/09/01/838330901.db2.gz NYBRTYBQHHLKPH-UONOGXRCSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@@H+]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195377 838330909 /nfs/dbraw/zinc/33/09/09/838330909.db2.gz NYBRTYBQHHLKPH-UONOGXRCSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185202585 844362272 /nfs/dbraw/zinc/36/22/72/844362272.db2.gz ADLTUPMRZZIRMB-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049754 838843641 /nfs/dbraw/zinc/84/36/41/838843641.db2.gz NBDSLPFXJBACMP-VXGBXAGGSA-N 2 2 260.341 0.253 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185379111 844405251 /nfs/dbraw/zinc/40/52/51/844405251.db2.gz AEEQYGNHKMVCBQ-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185572121 844433164 /nfs/dbraw/zinc/43/31/64/844433164.db2.gz HFOALDCLPRCQEX-OCCSQVGLSA-N 2 2 288.395 0.968 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001185572120 844433608 /nfs/dbraw/zinc/43/36/08/844433608.db2.gz HFOALDCLPRCQEX-JSGCOSHPSA-N 2 2 288.395 0.968 20 30 CCEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135949630 839477306 /nfs/dbraw/zinc/47/73/06/839477306.db2.gz QOLKWUCIYYECOB-STQMWFEESA-N 2 2 276.384 0.859 20 30 CCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727794 839758007 /nfs/dbraw/zinc/75/80/07/839758007.db2.gz MWZHEBJUUXIGPT-KGLIPLIRSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727794 839758013 /nfs/dbraw/zinc/75/80/13/839758013.db2.gz MWZHEBJUUXIGPT-KGLIPLIRSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763420 839785300 /nfs/dbraw/zinc/78/53/00/839785300.db2.gz HYXLMIPSEWAVFT-TZMCWYRMSA-N 2 2 292.383 0.388 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763420 839785307 /nfs/dbraw/zinc/78/53/07/839785307.db2.gz HYXLMIPSEWAVFT-TZMCWYRMSA-N 2 2 292.383 0.388 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847107 839851885 /nfs/dbraw/zinc/85/18/85/839851885.db2.gz NOBXBCSZGRXMBU-CHWSQXEVSA-N 2 2 278.356 0.011 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847107 839851892 /nfs/dbraw/zinc/85/18/92/839851892.db2.gz NOBXBCSZGRXMBU-CHWSQXEVSA-N 2 2 278.356 0.011 20 30 CCEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146771036 840361982 /nfs/dbraw/zinc/36/19/82/840361982.db2.gz LNVREVHNWUIPES-STQMWFEESA-N 2 2 262.357 0.779 20 30 CCEDLP Cc1ccc(CC#N)c(NCCN2CC[NH2+]CC2=O)[nH+]1 ZINC001161025617 840501248 /nfs/dbraw/zinc/50/12/48/840501248.db2.gz WMQQVVCEJQYIDF-UHFFFAOYSA-N 2 2 273.340 0.300 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001095004458 841995658 /nfs/dbraw/zinc/99/56/58/841995658.db2.gz BANSQYRQNFEAKI-SCRDCRAPSA-N 2 2 272.352 0.555 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177065342 842498768 /nfs/dbraw/zinc/49/87/68/842498768.db2.gz ZVZNEEMVGKINFQ-HNNXBMFYSA-N 2 2 288.395 0.804 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188346819 844871520 /nfs/dbraw/zinc/87/15/20/844871520.db2.gz XSNAVYQIWVSANT-CQSZACIVSA-N 2 2 274.368 0.877 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196919765 846814979 /nfs/dbraw/zinc/81/49/79/846814979.db2.gz NJJXHAWKMUXGOA-ZIAGYGMSSA-N 2 2 292.383 0.319 20 30 CCEDLP C=C(C)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001275002088 848612431 /nfs/dbraw/zinc/61/24/31/848612431.db2.gz WJQFPEQQLQGGDE-SNVBAGLBSA-N 2 2 250.346 0.931 20 30 CCEDLP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001275208558 848666458 /nfs/dbraw/zinc/66/64/58/848666458.db2.gz JQROVNHXJBNVJP-STQMWFEESA-N 2 2 274.368 0.563 20 30 CCEDLP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001275864912 848850574 /nfs/dbraw/zinc/85/05/74/848850574.db2.gz CUGGVNHIAQAYLY-KBPBESRZSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001275864912 848850580 /nfs/dbraw/zinc/85/05/80/848850580.db2.gz CUGGVNHIAQAYLY-KBPBESRZSA-N 2 2 288.395 0.905 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720443567 849463462 /nfs/dbraw/zinc/46/34/62/849463462.db2.gz GHUBIZAKSVXOGT-KBPBESRZSA-N 2 2 278.400 0.917 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720443567 849463465 /nfs/dbraw/zinc/46/34/65/849463465.db2.gz GHUBIZAKSVXOGT-KBPBESRZSA-N 2 2 278.400 0.917 20 30 CCEDLP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720443567 849463469 /nfs/dbraw/zinc/46/34/69/849463469.db2.gz GHUBIZAKSVXOGT-KBPBESRZSA-N 2 2 278.400 0.917 20 30 CCEDLP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720443567 849463471 /nfs/dbraw/zinc/46/34/71/849463471.db2.gz GHUBIZAKSVXOGT-KBPBESRZSA-N 2 2 278.400 0.917 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720443579 849464062 /nfs/dbraw/zinc/46/40/62/849464062.db2.gz GHUBIZAKSVXOGT-ZIAGYGMSSA-N 2 2 278.400 0.917 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720443579 849464066 /nfs/dbraw/zinc/46/40/66/849464066.db2.gz GHUBIZAKSVXOGT-ZIAGYGMSSA-N 2 2 278.400 0.917 20 30 CCEDLP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720443579 849464073 /nfs/dbraw/zinc/46/40/73/849464073.db2.gz GHUBIZAKSVXOGT-ZIAGYGMSSA-N 2 2 278.400 0.917 20 30 CCEDLP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720443579 849464074 /nfs/dbraw/zinc/46/40/74/849464074.db2.gz GHUBIZAKSVXOGT-ZIAGYGMSSA-N 2 2 278.400 0.917 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1CC ZINC001037933139 849608442 /nfs/dbraw/zinc/60/84/42/849608442.db2.gz LDCUGYMADSYMIV-JSGCOSHPSA-N 2 2 274.368 0.802 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038621105 849676286 /nfs/dbraw/zinc/67/62/86/849676286.db2.gz HERUIQPCHPSAGZ-KBPBESRZSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038621105 849676296 /nfs/dbraw/zinc/67/62/96/849676296.db2.gz HERUIQPCHPSAGZ-KBPBESRZSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038621105 849676300 /nfs/dbraw/zinc/67/63/00/849676300.db2.gz HERUIQPCHPSAGZ-KBPBESRZSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038621105 849676308 /nfs/dbraw/zinc/67/63/08/849676308.db2.gz HERUIQPCHPSAGZ-KBPBESRZSA-N 2 2 281.400 0.472 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001039046637 850134430 /nfs/dbraw/zinc/13/44/30/850134430.db2.gz AGUVFIXPOPXLAW-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039046637 850134435 /nfs/dbraw/zinc/13/44/35/850134435.db2.gz AGUVFIXPOPXLAW-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001039046637 850134440 /nfs/dbraw/zinc/13/44/40/850134440.db2.gz 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CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000224161270 351997042 /nfs/dbraw/zinc/99/70/42/351997042.db2.gz SHJQETIEVLTIDX-LBPRGKRZSA-N 2 2 264.398 0.955 20 30 CCEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000224161270 351997046 /nfs/dbraw/zinc/99/70/46/351997046.db2.gz SHJQETIEVLTIDX-LBPRGKRZSA-N 2 2 264.398 0.955 20 30 CCEDLP C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000610427505 363557161 /nfs/dbraw/zinc/55/71/61/363557161.db2.gz FSQHKKWNKZXSIH-TZMCWYRMSA-N 2 2 278.400 0.773 20 30 CCEDLP C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000610427505 363557165 /nfs/dbraw/zinc/55/71/65/363557165.db2.gz FSQHKKWNKZXSIH-TZMCWYRMSA-N 2 2 278.400 0.773 20 30 CCEDLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000619781242 366351665 /nfs/dbraw/zinc/35/16/65/366351665.db2.gz FDAFUFZOBOQSFW-HNNXBMFYSA-N 2 2 278.400 0.776 20 30 CCEDLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC000619781242 366351674 /nfs/dbraw/zinc/35/16/74/366351674.db2.gz FDAFUFZOBOQSFW-HNNXBMFYSA-N 2 2 278.400 0.776 20 30 CCEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591742693 359651163 /nfs/dbraw/zinc/65/11/63/359651163.db2.gz AEGRBBLDGZLPPJ-GJZGRUSLSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(C#N)nn3)C2)CC1 ZINC000611240911 363693952 /nfs/dbraw/zinc/69/39/52/363693952.db2.gz QLWDANHGEPFWPY-CYBMUJFWSA-N 2 2 286.383 0.351 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(C#N)nn3)C2)CC1 ZINC000611240911 363693961 /nfs/dbraw/zinc/69/39/61/363693961.db2.gz QLWDANHGEPFWPY-CYBMUJFWSA-N 2 2 286.383 0.351 20 30 CCEDLP CN(CCC#N)C(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000593980015 360226709 /nfs/dbraw/zinc/22/67/09/360226709.db2.gz WFCPVOYPARYMHB-UHFFFAOYSA-N 2 2 290.371 0.294 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)CO1 ZINC000595939392 360715161 /nfs/dbraw/zinc/71/51/61/360715161.db2.gz HZLJBRXTQOEVEH-MCIONIFRSA-N 2 2 296.415 0.623 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)CO1 ZINC000595939392 360715163 /nfs/dbraw/zinc/71/51/63/360715163.db2.gz HZLJBRXTQOEVEH-MCIONIFRSA-N 2 2 296.415 0.623 20 30 CCEDLP CC[C@@H](C#N)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597991600 361299405 /nfs/dbraw/zinc/29/94/05/361299405.db2.gz FNRRFEJKLUPTSR-LBPRGKRZSA-N 2 2 254.378 0.536 20 30 CCEDLP CC[C@@H](C#N)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597991600 361299410 /nfs/dbraw/zinc/29/94/10/361299410.db2.gz FNRRFEJKLUPTSR-LBPRGKRZSA-N 2 2 254.378 0.536 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC000597989670 361298394 /nfs/dbraw/zinc/29/83/94/361298394.db2.gz HXAHZQNHINXNOQ-UHFFFAOYSA-N 2 2 277.372 0.500 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC000597989670 361298397 /nfs/dbraw/zinc/29/83/97/361298397.db2.gz HXAHZQNHINXNOQ-UHFFFAOYSA-N 2 2 277.372 0.500 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639762122 375988241 /nfs/dbraw/zinc/98/82/41/375988241.db2.gz GMFZUQWYPQAPNB-ZFWWWQNUSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639762122 375988246 /nfs/dbraw/zinc/98/82/46/375988246.db2.gz GMFZUQWYPQAPNB-ZFWWWQNUSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000685002165 545784985 /nfs/dbraw/zinc/78/49/85/545784985.db2.gz YCTBTGAXBUCTKX-OAHLLOKOSA-N 2 2 286.379 0.991 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000293712038 388987304 /nfs/dbraw/zinc/98/73/04/388987304.db2.gz DYGNTEPWYWRBFP-GFCCVEGCSA-N 2 2 260.341 0.729 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000293712038 388987305 /nfs/dbraw/zinc/98/73/05/388987305.db2.gz DYGNTEPWYWRBFP-GFCCVEGCSA-N 2 2 260.341 0.729 20 30 CCEDLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)nc1)NC1CC1 ZINC000303263125 389081327 /nfs/dbraw/zinc/08/13/27/389081327.db2.gz QLUWFYSJTUIFQH-UHFFFAOYSA-N 2 2 256.313 0.834 20 30 CCEDLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328894648 389144292 /nfs/dbraw/zinc/14/42/92/389144292.db2.gz AYGXIUIGXAMDIF-DGCLKSJQSA-N 2 2 278.356 0.733 20 30 CCEDLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000328894648 389144295 /nfs/dbraw/zinc/14/42/95/389144295.db2.gz AYGXIUIGXAMDIF-DGCLKSJQSA-N 2 2 278.356 0.733 20 30 CCEDLP CC(C)[N@H+](C)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000330713930 389252888 /nfs/dbraw/zinc/25/28/88/389252888.db2.gz ZMIHESUUJGWEJB-ZDUSSCGKSA-N 2 2 285.436 0.076 20 30 CCEDLP CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000330713930 389252890 /nfs/dbraw/zinc/25/28/90/389252890.db2.gz ZMIHESUUJGWEJB-ZDUSSCGKSA-N 2 2 285.436 0.076 20 30 CCEDLP CC(C)[NH+](C)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000330713930 389252892 /nfs/dbraw/zinc/25/28/92/389252892.db2.gz ZMIHESUUJGWEJB-ZDUSSCGKSA-N 2 2 285.436 0.076 20 30 CCEDLP CC(C)[NH+](C)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000330713930 389252894 /nfs/dbraw/zinc/25/28/94/389252894.db2.gz ZMIHESUUJGWEJB-ZDUSSCGKSA-N 2 2 285.436 0.076 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246150438 389224664 /nfs/dbraw/zinc/22/46/64/389224664.db2.gz FMZWHFWXQLREOU-KBPBESRZSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246150438 389224667 /nfs/dbraw/zinc/22/46/67/389224667.db2.gz FMZWHFWXQLREOU-KBPBESRZSA-N 2 2 263.385 0.542 20 30 CCEDLP Cc1[nH+]ccn1-c1ncccc1CNC1=[NH+]CCN1C ZINC000262679552 389292684 /nfs/dbraw/zinc/29/26/84/389292684.db2.gz VMYKDPUMAPREEV-UHFFFAOYSA-N 2 2 270.340 0.967 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352448566 389812502 /nfs/dbraw/zinc/81/25/02/389812502.db2.gz HXGSLSCSTNHUOY-ZDUSSCGKSA-N 2 2 296.390 0.867 20 30 CCEDLP C#CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491713033 390116214 /nfs/dbraw/zinc/11/62/14/390116214.db2.gz IYUWIUWFHHKCDE-CQSZACIVSA-N 2 2 295.408 0.475 20 30 CCEDLP C#CC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491713033 390116215 /nfs/dbraw/zinc/11/62/15/390116215.db2.gz IYUWIUWFHHKCDE-CQSZACIVSA-N 2 2 295.408 0.475 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CC(C)(C)C2)CC1 ZINC000491752782 390116569 /nfs/dbraw/zinc/11/65/69/390116569.db2.gz XBGMIESZLDCBCU-UHFFFAOYSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CC(C)(C)C2)CC1 ZINC000491752782 390116570 /nfs/dbraw/zinc/11/65/70/390116570.db2.gz XBGMIESZLDCBCU-UHFFFAOYSA-N 2 2 277.412 0.884 20 30 CCEDLP C[N@@H+]1CCN(C(=O)NCC(C)(C)CC#N)[C@H](C[NH3+])C1 ZINC000567572762 390704166 /nfs/dbraw/zinc/70/41/66/390704166.db2.gz ZFPZWNAGNUEAOU-LLVKDONJSA-N 2 2 267.377 0.211 20 30 CCEDLP C[N@H+]1CCN(C(=O)NCC(C)(C)CC#N)[C@H](C[NH3+])C1 ZINC000567572762 390704168 /nfs/dbraw/zinc/70/41/68/390704168.db2.gz ZFPZWNAGNUEAOU-LLVKDONJSA-N 2 2 267.377 0.211 20 30 CCEDLP CC[N@@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+](C)CCC#N ZINC000570795548 390719205 /nfs/dbraw/zinc/71/92/05/390719205.db2.gz XNRCMDFDQHFWDU-HUUCEWRRSA-N 2 2 282.432 0.657 20 30 CCEDLP CC[N@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+](C)CCC#N ZINC000570795548 390719206 /nfs/dbraw/zinc/71/92/06/390719206.db2.gz XNRCMDFDQHFWDU-HUUCEWRRSA-N 2 2 282.432 0.657 20 30 CCEDLP CC[NH+]1CCCC[C@@H]1CNC[C@@H](O)C[N@H+](C)CCC#N ZINC000570795548 390719209 /nfs/dbraw/zinc/71/92/09/390719209.db2.gz XNRCMDFDQHFWDU-HUUCEWRRSA-N 2 2 282.432 0.657 20 30 CCEDLP CC[NH+]1CCCC[C@@H]1CNC[C@@H](O)C[N@@H+](C)CCC#N ZINC000570795548 390719211 /nfs/dbraw/zinc/71/92/11/390719211.db2.gz XNRCMDFDQHFWDU-HUUCEWRRSA-N 2 2 282.432 0.657 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153313 414694203 /nfs/dbraw/zinc/69/42/03/414694203.db2.gz QIDKMCQVDQPTSO-KGLIPLIRSA-N 2 2 254.374 0.454 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153313 414694204 /nfs/dbraw/zinc/69/42/04/414694204.db2.gz QIDKMCQVDQPTSO-KGLIPLIRSA-N 2 2 254.374 0.454 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CCC[NH2+]1 ZINC000662715611 414745828 /nfs/dbraw/zinc/74/58/28/414745828.db2.gz UUFYZGIKBSXRDP-UKRRQHHQSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CCC[NH2+]1 ZINC000662715611 414745829 /nfs/dbraw/zinc/74/58/29/414745829.db2.gz UUFYZGIKBSXRDP-UKRRQHHQSA-N 2 2 281.400 0.522 20 30 CCEDLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000113515029 228042788 /nfs/dbraw/zinc/04/27/88/228042788.db2.gz QMHZVHRLARYCDQ-DOMZBBRYSA-N 2 2 278.400 0.678 20 30 CCEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000113515029 228042789 /nfs/dbraw/zinc/04/27/89/228042789.db2.gz QMHZVHRLARYCDQ-DOMZBBRYSA-N 2 2 278.400 0.678 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650573 266339812 /nfs/dbraw/zinc/33/98/12/266339812.db2.gz PFEBZOOVUQZWNL-UHFFFAOYSA-N 2 2 295.427 0.576 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650573 266339816 /nfs/dbraw/zinc/33/98/16/266339816.db2.gz PFEBZOOVUQZWNL-UHFFFAOYSA-N 2 2 295.427 0.576 20 30 CCEDLP CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000584122266 327044957 /nfs/dbraw/zinc/04/49/57/327044957.db2.gz MHRTVGCGLUJYLZ-STQMWFEESA-N 2 2 266.389 0.821 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261632078 329973676 /nfs/dbraw/zinc/97/36/76/329973676.db2.gz CLTDKPMIYISVQS-NEPJUHHUSA-N 2 2 268.405 0.671 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC[C@@H]1CCOC1 ZINC000262693704 330027508 /nfs/dbraw/zinc/02/75/08/330027508.db2.gz CVXJCJQGBIHVGT-NSHDSACASA-N 2 2 251.334 0.085 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000490637643 332098949 /nfs/dbraw/zinc/09/89/49/332098949.db2.gz RSQLJUHRSZZDCT-UHFFFAOYSA-N 2 2 260.341 0.713 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC(C)(C)C2)CC1 ZINC000490718309 332108582 /nfs/dbraw/zinc/10/85/82/332108582.db2.gz IDAKAMXMBBQYAI-UHFFFAOYSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000490718309 332108583 /nfs/dbraw/zinc/10/85/83/332108583.db2.gz IDAKAMXMBBQYAI-UHFFFAOYSA-N 2 2 277.412 0.886 20 30 CCEDLP 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C=CC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981717106 613689454 /nfs/dbraw/zinc/68/94/54/613689454.db2.gz ACANBCKPJIIFGM-UHFFFAOYSA-N 2 2 262.357 0.994 20 30 CCEDLP C=CC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981717106 613689455 /nfs/dbraw/zinc/68/94/55/613689455.db2.gz ACANBCKPJIIFGM-UHFFFAOYSA-N 2 2 262.357 0.994 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000950514223 613711862 /nfs/dbraw/zinc/71/18/62/613711862.db2.gz RQHXJHMFKNWSQY-QWHCGFSZSA-N 2 2 251.374 0.514 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000950514223 613711863 /nfs/dbraw/zinc/71/18/63/613711863.db2.gz RQHXJHMFKNWSQY-QWHCGFSZSA-N 2 2 251.374 0.514 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970762844 613865171 /nfs/dbraw/zinc/86/51/71/613865171.db2.gz OBVKDTPYCFSSDB-CABCVRRESA-N 2 2 293.411 0.474 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC[NH3+])CC1 ZINC000884388209 613877696 /nfs/dbraw/zinc/87/76/96/613877696.db2.gz PPJCSBQZZRUYCK-LBPRGKRZSA-N 2 2 283.372 0.020 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C#N)o1 ZINC000855415409 615879471 /nfs/dbraw/zinc/87/94/71/615879471.db2.gz XPOFRRGJBKMVEB-UHFFFAOYSA-N 2 2 278.356 0.765 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C#N)o1 ZINC000855415409 615879473 /nfs/dbraw/zinc/87/94/73/615879473.db2.gz XPOFRRGJBKMVEB-UHFFFAOYSA-N 2 2 278.356 0.765 20 30 CCEDLP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)CC#N)CCO1 ZINC000931075065 615888530 /nfs/dbraw/zinc/88/85/30/615888530.db2.gz HMEHOQZYMMYQQZ-OLZOCXBDSA-N 2 2 255.362 0.304 20 30 CCEDLP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)CC#N)CCO1 ZINC000931075065 615888531 /nfs/dbraw/zinc/88/85/31/615888531.db2.gz HMEHOQZYMMYQQZ-OLZOCXBDSA-N 2 2 255.362 0.304 20 30 CCEDLP CN(C)c1ncc(C=[NH+]NCCC[NH+]2CCOCC2)s1 ZINC000799486436 616035602 /nfs/dbraw/zinc/03/56/02/616035602.db2.gz ARZZPROXALFDRV-UHFFFAOYSA-N 2 2 297.428 0.855 20 30 CCEDLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CC1(C)C ZINC000895156533 616282441 /nfs/dbraw/zinc/28/24/41/616282441.db2.gz CLWPSXBBJLRFOM-MNOVXSKESA-N 2 2 255.362 0.829 20 30 CCEDLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CC1(C)C ZINC000895156533 616282442 /nfs/dbraw/zinc/28/24/42/616282442.db2.gz CLWPSXBBJLRFOM-MNOVXSKESA-N 2 2 255.362 0.829 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001020432125 624476373 /nfs/dbraw/zinc/47/63/73/624476373.db2.gz BSBVKVHMXZQSJA-KKUMJFAQSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001020432125 624476374 /nfs/dbraw/zinc/47/63/74/624476374.db2.gz BSBVKVHMXZQSJA-KKUMJFAQSA-N 2 2 295.427 0.910 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000988934509 633128499 /nfs/dbraw/zinc/12/84/99/633128499.db2.gz UCIANZYEOCTTKU-AAEUAGOBSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000988934509 633128503 /nfs/dbraw/zinc/12/85/03/633128503.db2.gz UCIANZYEOCTTKU-AAEUAGOBSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714016 650156383 /nfs/dbraw/zinc/15/63/83/650156383.db2.gz CJHKQYQAKHSMNN-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714016 650156384 /nfs/dbraw/zinc/15/63/84/650156384.db2.gz CJHKQYQAKHSMNN-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC000992415483 637398675 /nfs/dbraw/zinc/39/86/75/637398675.db2.gz ARNLHWBCFOVULM-GDBMZVCRSA-N 2 2 286.379 0.709 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994299312 637918766 /nfs/dbraw/zinc/91/87/66/637918766.db2.gz VRJVZSRXAVXPFV-QWHCGFSZSA-N 2 2 274.368 0.863 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994299312 637918770 /nfs/dbraw/zinc/91/87/70/637918770.db2.gz VRJVZSRXAVXPFV-QWHCGFSZSA-N 2 2 274.368 0.863 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001014779424 650487992 /nfs/dbraw/zinc/48/79/92/650487992.db2.gz KQZZSIMINNWJDG-GJZGRUSLSA-N 2 2 273.380 0.298 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001014779424 650487994 /nfs/dbraw/zinc/48/79/94/650487994.db2.gz KQZZSIMINNWJDG-GJZGRUSLSA-N 2 2 273.380 0.298 20 30 CCEDLP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001014779424 650487996 /nfs/dbraw/zinc/48/79/96/650487996.db2.gz KQZZSIMINNWJDG-GJZGRUSLSA-N 2 2 273.380 0.298 20 30 CCEDLP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001014779424 650487997 /nfs/dbraw/zinc/48/79/97/650487997.db2.gz KQZZSIMINNWJDG-GJZGRUSLSA-N 2 2 273.380 0.298 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#CC)C1 ZINC001014778379 650488030 /nfs/dbraw/zinc/48/80/30/650488030.db2.gz FMAVLGKIOVBIDA-GJZGRUSLSA-N 2 2 273.380 0.298 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#CC)C1 ZINC001014778379 650488031 /nfs/dbraw/zinc/48/80/31/650488031.db2.gz FMAVLGKIOVBIDA-GJZGRUSLSA-N 2 2 273.380 0.298 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#CC)C1 ZINC001014778379 650488033 /nfs/dbraw/zinc/48/80/33/650488033.db2.gz FMAVLGKIOVBIDA-GJZGRUSLSA-N 2 2 273.380 0.298 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#CC)C1 ZINC001014778379 650488036 /nfs/dbraw/zinc/48/80/36/650488036.db2.gz FMAVLGKIOVBIDA-GJZGRUSLSA-N 2 2 273.380 0.298 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001148 650513903 /nfs/dbraw/zinc/51/39/03/650513903.db2.gz UNUFWUXVNJDUGB-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001148 650513907 /nfs/dbraw/zinc/51/39/07/650513907.db2.gz UNUFWUXVNJDUGB-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP C[C@H](C#N)OCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000801934952 640678421 /nfs/dbraw/zinc/67/84/21/640678421.db2.gz UFJBZTLOLBCEMF-GFCCVEGCSA-N 2 2 263.345 0.471 20 30 CCEDLP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001017440174 650802474 /nfs/dbraw/zinc/80/24/74/650802474.db2.gz FKYGPOBMGHEEFW-ZNMIVQPWSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001017440174 650802477 /nfs/dbraw/zinc/80/24/77/650802477.db2.gz FKYGPOBMGHEEFW-ZNMIVQPWSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017440174 650802479 /nfs/dbraw/zinc/80/24/79/650802479.db2.gz FKYGPOBMGHEEFW-ZNMIVQPWSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017440174 650802482 /nfs/dbraw/zinc/80/24/82/650802482.db2.gz FKYGPOBMGHEEFW-ZNMIVQPWSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001018182121 650846735 /nfs/dbraw/zinc/84/67/35/650846735.db2.gz WUSZTMKQDVGGHG-OKILXGFUSA-N 2 2 273.380 0.391 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001018182121 650846739 /nfs/dbraw/zinc/84/67/39/650846739.db2.gz WUSZTMKQDVGGHG-OKILXGFUSA-N 2 2 273.380 0.391 20 30 CCEDLP C#C[C@@](C)(CC)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000852097142 643927255 /nfs/dbraw/zinc/92/72/55/643927255.db2.gz MIUINJPFBHCDEH-INIZCTEOSA-N 2 2 295.427 0.605 20 30 CCEDLP C=CC[N@H+]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001266523911 790867726 /nfs/dbraw/zinc/86/77/26/790867726.db2.gz XUVLZAFTCFPYRP-CYBMUJFWSA-N 2 2 276.384 0.977 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001266523911 790867734 /nfs/dbraw/zinc/86/77/34/790867734.db2.gz XUVLZAFTCFPYRP-CYBMUJFWSA-N 2 2 276.384 0.977 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167428027 791061740 /nfs/dbraw/zinc/06/17/40/791061740.db2.gz FPGRQPGZFZANEQ-CYBMUJFWSA-N 2 2 262.357 0.953 20 30 CCEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1O ZINC001233386669 806052036 /nfs/dbraw/zinc/05/20/36/806052036.db2.gz CQCACWQFTIIRSX-UHFFFAOYSA-N 2 2 288.395 0.943 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277862454 806255791 /nfs/dbraw/zinc/25/57/91/806255791.db2.gz JFOBGFHEXHBCFC-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277862452 806256130 /nfs/dbraw/zinc/25/61/30/806256130.db2.gz JFOBGFHEXHBCFC-KGLIPLIRSA-N 2 2 288.395 0.905 20 30 CCEDLP N#Cc1ccc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1 ZINC001234989615 806335287 /nfs/dbraw/zinc/33/52/87/806335287.db2.gz PYGJYCVAOZYXAX-OAHLLOKOSA-N 2 2 272.352 0.401 20 30 CCEDLP C#Cc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235063185 806365743 /nfs/dbraw/zinc/36/57/43/806365743.db2.gz PDTYMVBIFNLKKT-MRXNPFEDSA-N 2 2 255.365 0.805 20 30 CCEDLP C#Cc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235063185 806365753 /nfs/dbraw/zinc/36/57/53/806365753.db2.gz PDTYMVBIFNLKKT-MRXNPFEDSA-N 2 2 255.365 0.805 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235337134 806408504 /nfs/dbraw/zinc/40/85/04/806408504.db2.gz RWRFUQGEQLXTQQ-ZIAGYGMSSA-N 2 2 263.385 0.493 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235337134 806408506 /nfs/dbraw/zinc/40/85/06/806408506.db2.gz RWRFUQGEQLXTQQ-ZIAGYGMSSA-N 2 2 263.385 0.493 20 30 CCEDLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001122253218 799180141 /nfs/dbraw/zinc/18/01/41/799180141.db2.gz AVCOHWCADMXTNN-KGLIPLIRSA-N 2 2 296.415 0.625 20 30 CCEDLP C#CC[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152186970 800499030 /nfs/dbraw/zinc/49/90/30/800499030.db2.gz ZSABLHKCAPUPFK-UHFFFAOYSA-N 2 2 277.393 0.445 20 30 CCEDLP C#CC[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152186970 800499036 /nfs/dbraw/zinc/49/90/36/800499036.db2.gz ZSABLHKCAPUPFK-UHFFFAOYSA-N 2 2 277.393 0.445 20 30 CCEDLP C=C(Br)C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487615 800633811 /nfs/dbraw/zinc/63/38/11/800633811.db2.gz ITVWKWAGHYGEPG-UHFFFAOYSA-N 2 2 287.161 0.498 20 30 CCEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154092907 800719172 /nfs/dbraw/zinc/71/91/72/800719172.db2.gz 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ZINC001158257985 801606670 /nfs/dbraw/zinc/60/66/70/801606670.db2.gz NGADDGIBUHVZJZ-CYBMUJFWSA-N 2 2 271.368 0.955 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c(N)n1 ZINC001159925395 801888662 /nfs/dbraw/zinc/88/86/62/801888662.db2.gz JUSHKSPPBPHVCF-JTQLQIEISA-N 2 2 279.344 0.698 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC(O)CC2)CC1 ZINC001160432499 801940564 /nfs/dbraw/zinc/94/05/64/801940564.db2.gz YGJZQMCUPXLYNJ-RUXDESIVSA-N 2 2 281.400 0.195 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490392 801951217 /nfs/dbraw/zinc/95/12/17/801951217.db2.gz OQUNDDYTHYKZLS-INIZCTEOSA-N 2 2 286.379 0.119 20 30 CCEDLP N#CCN(Cc1ccccc1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160668178 801994558 /nfs/dbraw/zinc/99/45/58/801994558.db2.gz PRZBIBCMBYGVTD-CQSZACIVSA-N 2 2 283.335 0.832 20 30 CCEDLP C=CC(N[C@@H]1C[NH2+]CCC1(OCC)OCC)=[NH+]COC ZINC001162730071 802410006 /nfs/dbraw/zinc/41/00/06/802410006.db2.gz KCMUZHUJTHOQEW-GFCCVEGCSA-N 2 2 285.388 0.896 20 30 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C=CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001485448492 897057204 /nfs/dbraw/zinc/05/72/04/897057204.db2.gz UFQURZAACZQQDM-CQSZACIVSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077774219 897477219 /nfs/dbraw/zinc/47/72/19/897477219.db2.gz QONWPYYTPLMKCW-RRFJBIMHSA-N 2 2 295.427 0.598 20 30 CCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077774219 897477227 /nfs/dbraw/zinc/47/72/27/897477227.db2.gz QONWPYYTPLMKCW-RRFJBIMHSA-N 2 2 295.427 0.598 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001486133393 898679427 /nfs/dbraw/zinc/67/94/27/898679427.db2.gz BSJLUUPLEYYMHV-STQMWFEESA-N 2 2 260.341 0.485 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001490905116 903200736 /nfs/dbraw/zinc/20/07/36/903200736.db2.gz XKBOFNRTPUEAHL-HDJSIYSDSA-N 2 2 287.363 0.893 20 30 CCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001283692541 904965294 /nfs/dbraw/zinc/96/52/94/904965294.db2.gz RAGFBBLJCJCWDD-NEPJUHHUSA-N 2 2 262.357 0.658 20 30 CCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001283692541 904965309 /nfs/dbraw/zinc/96/53/09/904965309.db2.gz RAGFBBLJCJCWDD-NEPJUHHUSA-N 2 2 262.357 0.658 20 30 CCEDLP C=CCN(CC=C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336964039 921130291 /nfs/dbraw/zinc/13/02/91/921130291.db2.gz VCVGATFJRRCXMI-UHFFFAOYSA-N 2 2 266.389 0.793 20 30 CCEDLP C=CC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001492311429 907838709 /nfs/dbraw/zinc/83/87/09/907838709.db2.gz MVFCVYNAXZWDPV-LBPRGKRZSA-N 2 2 262.357 0.680 20 30 CCEDLP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001492311429 907838720 /nfs/dbraw/zinc/83/87/20/907838720.db2.gz MVFCVYNAXZWDPV-LBPRGKRZSA-N 2 2 262.357 0.680 20 30 CCEDLP C#CCn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC001336825157 907997455 /nfs/dbraw/zinc/99/74/55/907997455.db2.gz CMWMMQMJTAMJOR-CQSZACIVSA-N 2 2 262.357 0.063 20 30 CCEDLP C#CC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317457796 909229119 /nfs/dbraw/zinc/22/91/19/909229119.db2.gz BRPMNXWVZNCIEP-ZDUSSCGKSA-N 2 2 274.368 0.435 20 30 CCEDLP C#CC[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317457796 909229132 /nfs/dbraw/zinc/22/91/32/909229132.db2.gz BRPMNXWVZNCIEP-ZDUSSCGKSA-N 2 2 274.368 0.435 20 30 CCEDLP C=CCC[N@H+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC001317491142 909264012 /nfs/dbraw/zinc/26/40/12/909264012.db2.gz QXQAXWKIKQIYQY-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP C=CCC[N@@H+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC001317491142 909264025 /nfs/dbraw/zinc/26/40/25/909264025.db2.gz QXQAXWKIKQIYQY-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001320467593 910689042 /nfs/dbraw/zinc/68/90/42/910689042.db2.gz CUXJTWCAYYEKPP-KBPBESRZSA-N 2 2 288.395 0.953 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001321897420 911561655 /nfs/dbraw/zinc/56/16/55/911561655.db2.gz TXAGFXRWPZSTFY-QWHCGFSZSA-N 2 2 274.368 0.563 20 30 CCEDLP CC#CC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001323100733 912115968 /nfs/dbraw/zinc/11/59/68/912115968.db2.gz RFVSFIQYQFHZGG-CQSZACIVSA-N 2 2 274.368 0.768 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001328621735 915315092 /nfs/dbraw/zinc/31/50/92/915315092.db2.gz JUMRORKOHHANMZ-AWEZNQCLSA-N 2 2 274.368 0.946 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001328621735 915315111 /nfs/dbraw/zinc/31/51/11/915315111.db2.gz JUMRORKOHHANMZ-AWEZNQCLSA-N 2 2 274.368 0.946 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001330317806 916552293 /nfs/dbraw/zinc/55/22/93/916552293.db2.gz JDQLBFBVJRZBNO-ZSOGYDGISA-N 2 2 288.395 0.833 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001330317806 916552306 /nfs/dbraw/zinc/55/23/06/916552306.db2.gz JDQLBFBVJRZBNO-ZSOGYDGISA-N 2 2 288.395 0.833 20 30 CCEDLP C=CCC[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001331592535 917439399 /nfs/dbraw/zinc/43/93/99/917439399.db2.gz CPEHJUJEJWQJEK-LLVKDONJSA-N 2 2 250.346 0.965 20 30 CCEDLP C#C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC001335443172 920197578 /nfs/dbraw/zinc/19/75/78/920197578.db2.gz CSTSMJVEZGEIOL-IRXDYDNUSA-N 2 2 287.407 0.559 20 30 CCEDLP C#CC[NH2+]CC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001341530829 922539184 /nfs/dbraw/zinc/53/91/84/922539184.db2.gz YLNKKVHAXXDTFW-AWEZNQCLSA-N 2 2 257.337 0.512 20 30 CCEDLP C#CC[NH2+]CC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001341530829 922539194 /nfs/dbraw/zinc/53/91/94/922539194.db2.gz YLNKKVHAXXDTFW-AWEZNQCLSA-N 2 2 257.337 0.512 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000602097036 362485048 /nfs/dbraw/zinc/48/50/48/362485048.db2.gz MLKYHSCMRJNIMM-LBPRGKRZSA-N 2 2 264.373 0.575 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000602097036 362485051 /nfs/dbraw/zinc/48/50/51/362485051.db2.gz MLKYHSCMRJNIMM-LBPRGKRZSA-N 2 2 264.373 0.575 20 30 CCEDLP C[C@@H]1C[NH+](CCc2c[nH+]cn2C)C[C@@H](C)N1CC#N ZINC000602848197 362836164 /nfs/dbraw/zinc/83/61/64/362836164.db2.gz FJRDOYDELDZLSN-CHWSQXEVSA-N 2 2 261.373 0.881 20 30 CCEDLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851757 362838674 /nfs/dbraw/zinc/83/86/74/362838674.db2.gz XOUKVCAPHNOSKB-MJBXVCDLSA-N 2 2 268.405 0.217 20 30 CCEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851757 362838679 /nfs/dbraw/zinc/83/86/79/362838679.db2.gz XOUKVCAPHNOSKB-MJBXVCDLSA-N 2 2 268.405 0.217 20 30 CCEDLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851757 362838681 /nfs/dbraw/zinc/83/86/81/362838681.db2.gz XOUKVCAPHNOSKB-MJBXVCDLSA-N 2 2 268.405 0.217 20 30 CCEDLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851757 362838686 /nfs/dbraw/zinc/83/86/86/362838686.db2.gz XOUKVCAPHNOSKB-MJBXVCDLSA-N 2 2 268.405 0.217 20 30 CCEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000052396189 348509056 /nfs/dbraw/zinc/50/90/56/348509056.db2.gz MDEFWZLHTFQULU-AWEZNQCLSA-N 2 2 286.335 0.784 20 30 CCEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000124349268 350096205 /nfs/dbraw/zinc/09/62/05/350096205.db2.gz UBSKMKYRRJIGTP-CYBMUJFWSA-N 2 2 273.340 0.665 20 30 CCEDLP C[N@H+]1CCN(C(=O)Nc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000124349268 350096209 /nfs/dbraw/zinc/09/62/09/350096209.db2.gz UBSKMKYRRJIGTP-CYBMUJFWSA-N 2 2 273.340 0.665 20 30 CCEDLP C[N@@H+]1CCN(C(=O)Nc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000124351069 350096924 /nfs/dbraw/zinc/09/69/24/350096924.db2.gz XQAOHBNHCZEEMA-ZDUSSCGKSA-N 2 2 273.340 0.665 20 30 CCEDLP C[N@H+]1CCN(C(=O)Nc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000124351069 350096926 /nfs/dbraw/zinc/09/69/26/350096926.db2.gz XQAOHBNHCZEEMA-ZDUSSCGKSA-N 2 2 273.340 0.665 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NCc1ccco1 ZINC000264861975 352603216 /nfs/dbraw/zinc/60/32/16/352603216.db2.gz KVNYWAAEPHBMLH-UHFFFAOYSA-N 2 2 282.413 0.993 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000273654684 192248208 /nfs/dbraw/zinc/24/82/08/192248208.db2.gz WXJMFSVGWNCAQJ-UHFFFAOYSA-N 2 2 283.397 0.838 20 30 CCEDLP C[N@@H+]1CC[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000609257018 363479314 /nfs/dbraw/zinc/47/93/14/363479314.db2.gz LHRZODOPQFVRSP-CQSZACIVSA-N 2 2 294.399 0.013 20 30 CCEDLP C[N@H+]1CC[C@@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000609257018 363479315 /nfs/dbraw/zinc/47/93/15/363479315.db2.gz LHRZODOPQFVRSP-CQSZACIVSA-N 2 2 294.399 0.013 20 30 CCEDLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1C#N ZINC000449396103 236032989 /nfs/dbraw/zinc/03/29/89/236032989.db2.gz RKCPVDORTOWFOS-AWEZNQCLSA-N 2 2 276.384 0.833 20 30 CCEDLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1C#N ZINC000449396103 236032990 /nfs/dbraw/zinc/03/29/90/236032990.db2.gz RKCPVDORTOWFOS-AWEZNQCLSA-N 2 2 276.384 0.833 20 30 CCEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592501034 359861877 /nfs/dbraw/zinc/86/18/77/359861877.db2.gz KLSLTZGRFUEPOI-GFCCVEGCSA-N 2 2 284.367 0.984 20 30 CCEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000592501034 359861881 /nfs/dbraw/zinc/86/18/81/359861881.db2.gz KLSLTZGRFUEPOI-GFCCVEGCSA-N 2 2 284.367 0.984 20 30 CCEDLP N#Cc1cnn2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cnc12 ZINC000592500781 359862288 /nfs/dbraw/zinc/86/22/88/359862288.db2.gz SFWVGYKWEGIXAH-CHWSQXEVSA-N 2 2 268.324 0.252 20 30 CCEDLP N#Cc1ccc2ncc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)n2c1 ZINC000611287787 363702450 /nfs/dbraw/zinc/70/24/50/363702450.db2.gz JRDWERXNBNEEHT-BETUJISGSA-N 2 2 267.336 0.857 20 30 CCEDLP N#Cc1ccc2ncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)n2c1 ZINC000611287787 363702456 /nfs/dbraw/zinc/70/24/56/363702456.db2.gz JRDWERXNBNEEHT-BETUJISGSA-N 2 2 267.336 0.857 20 30 CCEDLP N#Cc1ccc2[nH+]cc(CN3C[C@H]4C[NH2+]C[C@H]4C3)n2c1 ZINC000611287787 363702463 /nfs/dbraw/zinc/70/24/63/363702463.db2.gz JRDWERXNBNEEHT-BETUJISGSA-N 2 2 267.336 0.857 20 30 CCEDLP N#Cc1ccc2ncc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)n2c1 ZINC000611287788 363702704 /nfs/dbraw/zinc/70/27/04/363702704.db2.gz JRDWERXNBNEEHT-CHWSQXEVSA-N 2 2 267.336 0.857 20 30 CCEDLP N#Cc1ccc2[nH+]cc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)n2c1 ZINC000611287788 363702706 /nfs/dbraw/zinc/70/27/06/363702706.db2.gz JRDWERXNBNEEHT-CHWSQXEVSA-N 2 2 267.336 0.857 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCCC#N ZINC000596554758 360920555 /nfs/dbraw/zinc/92/05/55/360920555.db2.gz LVAMNTKRYVSMOQ-UHFFFAOYSA-N 2 2 269.393 0.473 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCCC#N ZINC000596554758 360920561 /nfs/dbraw/zinc/92/05/61/360920561.db2.gz LVAMNTKRYVSMOQ-UHFFFAOYSA-N 2 2 269.393 0.473 20 30 CCEDLP N#CCN1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000596997015 360992363 /nfs/dbraw/zinc/99/23/63/360992363.db2.gz ZYGPWIPFLFMLOK-UHFFFAOYSA-N 2 2 282.351 0.908 20 30 CCEDLP C[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC1C[NH+](C)C1 ZINC000597203021 361030410 /nfs/dbraw/zinc/03/04/10/361030410.db2.gz KXMKQWBTUCTTGX-UHFFFAOYSA-N 2 2 270.340 0.594 20 30 CCEDLP C[N@H+](Cc1cnc2c(C#N)cnn2c1)CC1C[NH+](C)C1 ZINC000597203021 361030416 /nfs/dbraw/zinc/03/04/16/361030416.db2.gz KXMKQWBTUCTTGX-UHFFFAOYSA-N 2 2 270.340 0.594 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C#N)ccn1 ZINC000597990401 361300006 /nfs/dbraw/zinc/30/00/06/361300006.db2.gz UTWZGMIPOIAPOR-UHFFFAOYSA-N 2 2 289.383 0.567 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C#N)ccn1 ZINC000597990401 361300008 /nfs/dbraw/zinc/30/00/08/361300008.db2.gz UTWZGMIPOIAPOR-UHFFFAOYSA-N 2 2 289.383 0.567 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631834865 370700666 /nfs/dbraw/zinc/70/06/66/370700666.db2.gz HJEIBAXPKLHIBJ-OLZOCXBDSA-N 2 2 251.374 0.977 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631834865 370700669 /nfs/dbraw/zinc/70/06/69/370700669.db2.gz HJEIBAXPKLHIBJ-OLZOCXBDSA-N 2 2 251.374 0.977 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCNC(=O)CC2)CC1 ZINC000634959823 372311697 /nfs/dbraw/zinc/31/16/97/372311697.db2.gz BZSRHGBYJWCHNP-LBPRGKRZSA-N 2 2 251.374 0.895 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000293679882 388986733 /nfs/dbraw/zinc/98/67/33/388986733.db2.gz AVOVQYLXDQBGIC-KBPBESRZSA-N 2 2 274.368 0.906 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000293679882 388986736 /nfs/dbraw/zinc/98/67/36/388986736.db2.gz AVOVQYLXDQBGIC-KBPBESRZSA-N 2 2 274.368 0.906 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CCC([N@H+](C)CCCO)CC2)C1=O ZINC000337193692 389052405 /nfs/dbraw/zinc/05/24/05/389052405.db2.gz UTBLYTDJUIFVHB-OAHLLOKOSA-N 2 2 295.427 0.552 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000337193692 389052408 /nfs/dbraw/zinc/05/24/08/389052408.db2.gz UTBLYTDJUIFVHB-OAHLLOKOSA-N 2 2 295.427 0.552 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337284648 389059048 /nfs/dbraw/zinc/05/90/48/389059048.db2.gz ZGZMDPWVLVFQNL-UHFFFAOYSA-N 2 2 282.388 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337284648 389059054 /nfs/dbraw/zinc/05/90/54/389059054.db2.gz ZGZMDPWVLVFQNL-UHFFFAOYSA-N 2 2 282.388 0.416 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329738214 389195169 /nfs/dbraw/zinc/19/51/69/389195169.db2.gz MQYDAWHEZSTBHA-VXGBXAGGSA-N 2 2 289.383 0.961 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000329738214 389195170 /nfs/dbraw/zinc/19/51/70/389195170.db2.gz MQYDAWHEZSTBHA-VXGBXAGGSA-N 2 2 289.383 0.961 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329738214 389195173 /nfs/dbraw/zinc/19/51/73/389195173.db2.gz MQYDAWHEZSTBHA-VXGBXAGGSA-N 2 2 289.383 0.961 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000329738214 389195175 /nfs/dbraw/zinc/19/51/75/389195175.db2.gz MQYDAWHEZSTBHA-VXGBXAGGSA-N 2 2 289.383 0.961 20 30 CCEDLP COCC[NH+]1CCC(NC(=O)NCc2[nH+]ccn2C)CC1 ZINC000330580621 389243515 /nfs/dbraw/zinc/24/35/15/389243515.db2.gz RFZPHSALLVCFMW-UHFFFAOYSA-N 2 2 295.387 0.535 20 30 CCEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156324731 389325728 /nfs/dbraw/zinc/32/57/28/389325728.db2.gz BXUZHYUYBREJLC-GFCCVEGCSA-N 2 2 260.297 0.174 20 30 CCEDLP N#CCNC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156324731 389325730 /nfs/dbraw/zinc/32/57/30/389325730.db2.gz BXUZHYUYBREJLC-GFCCVEGCSA-N 2 2 260.297 0.174 20 30 CCEDLP CC[C@H](C)NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000262677277 389292705 /nfs/dbraw/zinc/29/27/05/389292705.db2.gz ROGJAVHRTCMHLP-VIFPVBQESA-N 2 2 252.366 0.689 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000153293530 389298557 /nfs/dbraw/zinc/29/85/57/389298557.db2.gz VGIGDKUMMWWATQ-GASCZTMLSA-N 2 2 275.396 0.496 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000153293530 389298558 /nfs/dbraw/zinc/29/85/58/389298558.db2.gz VGIGDKUMMWWATQ-GASCZTMLSA-N 2 2 275.396 0.496 20 30 CCEDLP CNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000264096012 389306435 /nfs/dbraw/zinc/30/64/35/389306435.db2.gz MSBAUICPNIAJTK-CYBMUJFWSA-N 2 2 275.400 0.731 20 30 CCEDLP [NH2+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCOCC1 ZINC000170912355 389468856 /nfs/dbraw/zinc/46/88/56/389468856.db2.gz BGVOPBYDYOMYRV-UHFFFAOYSA-N 2 2 286.339 0.414 20 30 CCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000567727380 390710971 /nfs/dbraw/zinc/71/09/71/390710971.db2.gz SHPDHPRYPYHDKZ-AWEZNQCLSA-N 2 2 291.399 0.515 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000043533776 411627452 /nfs/dbraw/zinc/62/74/52/411627452.db2.gz UPGQRXOSFYHMCC-UHFFFAOYSA-N 2 2 289.383 0.518 20 30 CCEDLP C=CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)COC ZINC000661244499 414584100 /nfs/dbraw/zinc/58/41/00/414584100.db2.gz TYRZJICYMRWIQH-CYBMUJFWSA-N 2 2 269.389 0.283 20 30 CCEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](C)COC ZINC000661244499 414584104 /nfs/dbraw/zinc/58/41/04/414584104.db2.gz TYRZJICYMRWIQH-CYBMUJFWSA-N 2 2 269.389 0.283 20 30 CCEDLP COCC#CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325592 414710313 /nfs/dbraw/zinc/71/03/13/414710313.db2.gz MTAXCDJGZMXPPQ-AWEZNQCLSA-N 2 2 254.374 0.679 20 30 CCEDLP COCC#CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325592 414710314 /nfs/dbraw/zinc/71/03/14/414710314.db2.gz MTAXCDJGZMXPPQ-AWEZNQCLSA-N 2 2 254.374 0.679 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665029028 415511581 /nfs/dbraw/zinc/51/15/81/415511581.db2.gz ONUKWRCCVIKZPZ-KGLIPLIRSA-N 2 2 298.431 0.513 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665029028 415511586 /nfs/dbraw/zinc/51/15/86/415511586.db2.gz ONUKWRCCVIKZPZ-KGLIPLIRSA-N 2 2 298.431 0.513 20 30 CCEDLP CNC(NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1)=[NH+]C ZINC000161503271 261248440 /nfs/dbraw/zinc/24/84/40/261248440.db2.gz LNSIRZFYMVUSNT-CQSZACIVSA-N 2 2 289.427 0.992 20 30 CCEDLP CC1(C)COCC[N@@H+]1CCNC(=[NH2+])Nc1ccccn1 ZINC000170914932 261451560 /nfs/dbraw/zinc/45/15/60/261451560.db2.gz PMKPIDQTHKRJFI-UHFFFAOYSA-N 2 2 277.372 0.919 20 30 CCEDLP CC1(C)COCC[N@H+]1CCNC(=[NH2+])Nc1ccccn1 ZINC000170914932 261451562 /nfs/dbraw/zinc/45/15/62/261451562.db2.gz PMKPIDQTHKRJFI-UHFFFAOYSA-N 2 2 277.372 0.919 20 30 CCEDLP CCN(C)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000273424897 263016814 /nfs/dbraw/zinc/01/68/14/263016814.db2.gz ITNAVMANWOPCLX-UHFFFAOYSA-N 2 2 292.383 0.863 20 30 CCEDLP C=CC[N@@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000292041146 263127545 /nfs/dbraw/zinc/12/75/45/263127545.db2.gz AMCVQHKEOXXZRK-UHFFFAOYSA-N 2 2 264.373 0.552 20 30 CCEDLP C=CC[N@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000292041146 263127546 /nfs/dbraw/zinc/12/75/46/263127546.db2.gz AMCVQHKEOXXZRK-UHFFFAOYSA-N 2 2 264.373 0.552 20 30 CCEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCC#N ZINC000075861223 264334365 /nfs/dbraw/zinc/33/43/65/264334365.db2.gz HSMNAHUVSFHTAR-LBPRGKRZSA-N 2 2 252.362 0.432 20 30 CCEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCC#N ZINC000075861223 264334367 /nfs/dbraw/zinc/33/43/67/264334367.db2.gz HSMNAHUVSFHTAR-LBPRGKRZSA-N 2 2 252.362 0.432 20 30 CCEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NCC#N ZINC000075861223 264334368 /nfs/dbraw/zinc/33/43/68/264334368.db2.gz HSMNAHUVSFHTAR-LBPRGKRZSA-N 2 2 252.362 0.432 20 30 CCEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NCC#N ZINC000075861223 264334370 /nfs/dbraw/zinc/33/43/70/264334370.db2.gz HSMNAHUVSFHTAR-LBPRGKRZSA-N 2 2 252.362 0.432 20 30 CCEDLP C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000525886310 265035050 /nfs/dbraw/zinc/03/50/50/265035050.db2.gz ACPAKGMWDFLJTA-CYBMUJFWSA-N 2 2 278.400 0.822 20 30 CCEDLP C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000525886310 265035053 /nfs/dbraw/zinc/03/50/53/265035053.db2.gz ACPAKGMWDFLJTA-CYBMUJFWSA-N 2 2 278.400 0.822 20 30 CCEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000525886310 265035056 /nfs/dbraw/zinc/03/50/56/265035056.db2.gz ACPAKGMWDFLJTA-CYBMUJFWSA-N 2 2 278.400 0.822 20 30 CCEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525886310 265035059 /nfs/dbraw/zinc/03/50/59/265035059.db2.gz ACPAKGMWDFLJTA-CYBMUJFWSA-N 2 2 278.400 0.822 20 30 CCEDLP C=C[C@@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361116953 328914555 /nfs/dbraw/zinc/91/45/55/328914555.db2.gz GRKDQFSWDHOUCG-LBPRGKRZSA-N 2 2 270.373 0.541 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000057172225 330372085 /nfs/dbraw/zinc/37/20/85/330372085.db2.gz BOVFLHPLLQJXPO-AWEZNQCLSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H]2C)CC1 ZINC000490839820 332119258 /nfs/dbraw/zinc/11/92/58/332119258.db2.gz KOJFEZZVOMDUMC-UONOGXRCSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H]2C)CC1 ZINC000490839820 332119259 /nfs/dbraw/zinc/11/92/59/332119259.db2.gz KOJFEZZVOMDUMC-UONOGXRCSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2C)CC1 ZINC000490865698 332121964 /nfs/dbraw/zinc/12/19/64/332121964.db2.gz GLTIPVLTXRWESS-KGLIPLIRSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2C)CC1 ZINC000490865698 332121966 /nfs/dbraw/zinc/12/19/66/332121966.db2.gz GLTIPVLTXRWESS-KGLIPLIRSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000490898849 332127143 /nfs/dbraw/zinc/12/71/43/332127143.db2.gz MGXOSJXYIUOPPD-HUUCEWRRSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000490898849 332127145 /nfs/dbraw/zinc/12/71/45/332127145.db2.gz MGXOSJXYIUOPPD-HUUCEWRRSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[N@H+](CC#CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000491100059 332149972 /nfs/dbraw/zinc/14/99/72/332149972.db2.gz FMMMWJKPUBPLAJ-UHFFFAOYSA-N 2 2 261.369 0.109 20 30 CCEDLP C#CC[N@@H+](CC#CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000491100059 332149974 /nfs/dbraw/zinc/14/99/74/332149974.db2.gz FMMMWJKPUBPLAJ-UHFFFAOYSA-N 2 2 261.369 0.109 20 30 CCEDLP C#CCNC(=O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC000491145857 332156010 /nfs/dbraw/zinc/15/60/10/332156010.db2.gz MRLHXZXHCKYDSJ-UHFFFAOYSA-N 2 2 294.443 0.085 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000491625654 332249430 /nfs/dbraw/zinc/24/94/30/332249430.db2.gz RQPLLAKBEFNOGR-OAHLLOKOSA-N 2 2 275.396 0.496 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000491625654 332249431 /nfs/dbraw/zinc/24/94/31/332249431.db2.gz RQPLLAKBEFNOGR-OAHLLOKOSA-N 2 2 275.396 0.496 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000491723427 332308328 /nfs/dbraw/zinc/30/83/28/332308328.db2.gz BJLFLZRJHYVOPJ-CYBMUJFWSA-N 2 2 269.414 0.153 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)[C@@H](C)CCC)CC1 ZINC000491792103 332352885 /nfs/dbraw/zinc/35/28/85/332352885.db2.gz DEUMSSHKTWWWNS-LSDHHAIUSA-N 2 2 295.427 0.151 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CC2CCC2)CC1 ZINC000491794278 332354048 /nfs/dbraw/zinc/35/40/48/332354048.db2.gz PTLVBBHMODJNFG-UHFFFAOYSA-N 2 2 277.412 0.886 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860606 334055139 /nfs/dbraw/zinc/05/51/39/334055139.db2.gz QAEQWLAWWXAQTB-ZDUSSCGKSA-N 2 2 296.415 0.804 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860606 334055140 /nfs/dbraw/zinc/05/51/40/334055140.db2.gz QAEQWLAWWXAQTB-ZDUSSCGKSA-N 2 2 296.415 0.804 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860606 334055141 /nfs/dbraw/zinc/05/51/41/334055141.db2.gz QAEQWLAWWXAQTB-ZDUSSCGKSA-N 2 2 296.415 0.804 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860606 334055142 /nfs/dbraw/zinc/05/51/42/334055142.db2.gz QAEQWLAWWXAQTB-ZDUSSCGKSA-N 2 2 296.415 0.804 20 30 CCEDLP C[C@H]1C[NH+]=C(N[NH+]=Cc2ccc3c(c2)CCN3C)N1 ZINC000779798719 581206391 /nfs/dbraw/zinc/20/63/91/581206391.db2.gz FKLRGPCNAXJEKV-JTQLQIEISA-N 2 2 257.341 0.950 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC3(CC3)CC2)CC1 ZINC000761063291 581884972 /nfs/dbraw/zinc/88/49/72/581884972.db2.gz RRPBTZODBICSLX-UHFFFAOYSA-N 2 2 275.396 0.640 20 30 CCEDLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC000895159873 614187685 /nfs/dbraw/zinc/18/76/85/614187685.db2.gz YLFPLRCUDABESD-LBPRGKRZSA-N 2 2 285.388 0.192 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000969457685 612963137 /nfs/dbraw/zinc/96/31/37/612963137.db2.gz UCKFTMPBQLFMIR-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000969457685 612963138 /nfs/dbraw/zinc/96/31/38/612963138.db2.gz UCKFTMPBQLFMIR-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968532456 613013865 /nfs/dbraw/zinc/01/38/65/613013865.db2.gz BGGVABVKJAWJFS-HIFRSBDPSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968532456 613013867 /nfs/dbraw/zinc/01/38/67/613013867.db2.gz BGGVABVKJAWJFS-HIFRSBDPSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000883131373 613078956 /nfs/dbraw/zinc/07/89/56/613078956.db2.gz ZCROYNPRRBFTDQ-UHFFFAOYSA-N 2 2 276.384 0.761 20 30 CCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000883131373 613078957 /nfs/dbraw/zinc/07/89/57/613078957.db2.gz ZCROYNPRRBFTDQ-UHFFFAOYSA-N 2 2 276.384 0.761 20 30 CCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000894862518 613079073 /nfs/dbraw/zinc/07/90/73/613079073.db2.gz DDVDEHKRTUJXHO-UHFFFAOYSA-N 2 2 282.351 0.646 20 30 CCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000894862518 613079074 /nfs/dbraw/zinc/07/90/74/613079074.db2.gz DDVDEHKRTUJXHO-UHFFFAOYSA-N 2 2 282.351 0.646 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969995284 613118302 /nfs/dbraw/zinc/11/83/02/613118302.db2.gz CYXNVYCVPOTINJ-OLZOCXBDSA-N 2 2 286.379 0.515 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000924036080 613169088 /nfs/dbraw/zinc/16/90/88/613169088.db2.gz 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C=CCOCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112965962 836980835 /nfs/dbraw/zinc/98/08/35/836980835.db2.gz PXESBLGRLUIJQY-HNNXBMFYSA-N 2 2 295.427 0.673 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001184903757 844309164 /nfs/dbraw/zinc/30/91/64/844309164.db2.gz OPHIRMHKQSWQNM-LSDHHAIUSA-N 2 2 288.395 0.981 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133192084 838571862 /nfs/dbraw/zinc/57/18/62/838571862.db2.gz YUBYBZYJNDFJHY-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185202586 844362169 /nfs/dbraw/zinc/36/21/69/844362169.db2.gz ADLTUPMRZZIRMB-OLZOCXBDSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546291 839003363 /nfs/dbraw/zinc/00/33/63/839003363.db2.gz YTGHZFSQTKFERF-VXGBXAGGSA-N 2 2 262.357 0.848 20 30 CCEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546291 839003378 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292.383 0.388 20 30 CCEDLP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146773392 840361147 /nfs/dbraw/zinc/36/11/47/840361147.db2.gz YOPGJIUSERCSGM-NEPJUHHUSA-N 2 2 250.346 0.942 20 30 CCEDLP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146773395 840362206 /nfs/dbraw/zinc/36/22/06/840362206.db2.gz YOPGJIUSERCSGM-VXGBXAGGSA-N 2 2 250.346 0.942 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036879981 841642700 /nfs/dbraw/zinc/64/27/00/841642700.db2.gz XEQYUCKIIKJDLX-UKRRQHHQSA-N 2 2 286.379 0.817 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001036879981 841642706 /nfs/dbraw/zinc/64/27/06/841642706.db2.gz XEQYUCKIIKJDLX-UKRRQHHQSA-N 2 2 286.379 0.817 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036909968 841687476 /nfs/dbraw/zinc/68/74/76/841687476.db2.gz MNORGWWKPDIKIM-GJZGRUSLSA-N 2 2 286.379 0.829 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036909968 841687488 /nfs/dbraw/zinc/68/74/88/841687488.db2.gz MNORGWWKPDIKIM-GJZGRUSLSA-N 2 2 286.379 0.829 20 30 CCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115436 843967062 /nfs/dbraw/zinc/96/70/62/843967062.db2.gz HEVDYYNFHCPPBP-CQSZACIVSA-N 2 2 290.367 0.183 20 30 CCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115436 843967067 /nfs/dbraw/zinc/96/70/67/843967067.db2.gz HEVDYYNFHCPPBP-CQSZACIVSA-N 2 2 290.367 0.183 20 30 CCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001205490347 845342800 /nfs/dbraw/zinc/34/28/00/845342800.db2.gz AVBKIDZHLBMRGH-ZIAGYGMSSA-N 2 2 286.379 0.975 20 30 CCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001205490347 845342806 /nfs/dbraw/zinc/34/28/06/845342806.db2.gz AVBKIDZHLBMRGH-ZIAGYGMSSA-N 2 2 286.379 0.975 20 30 CCEDLP COCC#CC[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198098510 847043114 /nfs/dbraw/zinc/04/31/14/847043114.db2.gz YPXXLGKDEGWFLB-UHFFFAOYSA-N 2 2 293.411 0.266 20 30 CCEDLP COCC#CC[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198098510 847043119 /nfs/dbraw/zinc/04/31/19/847043119.db2.gz YPXXLGKDEGWFLB-UHFFFAOYSA-N 2 2 293.411 0.266 20 30 CCEDLP C#CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001274280343 848439262 /nfs/dbraw/zinc/43/92/62/848439262.db2.gz LWFLXWGVWAGLFR-RISCZKNCSA-N 2 2 274.368 0.720 20 30 CCEDLP C#CCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001275975704 848878365 /nfs/dbraw/zinc/87/83/65/848878365.db2.gz LHTKHOBETKHNEH-CVEARBPZSA-N 2 2 288.395 0.682 20 30 CCEDLP C#CCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001275975704 848878373 /nfs/dbraw/zinc/87/83/73/848878373.db2.gz LHTKHOBETKHNEH-CVEARBPZSA-N 2 2 288.395 0.682 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038261612 849831910 /nfs/dbraw/zinc/83/19/10/849831910.db2.gz DZRPUKVXMDLYBE-HZSPNIEDSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038261612 849831902 /nfs/dbraw/zinc/83/19/02/849831902.db2.gz DZRPUKVXMDLYBE-HZSPNIEDSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001038261612 849831906 /nfs/dbraw/zinc/83/19/06/849831906.db2.gz DZRPUKVXMDLYBE-HZSPNIEDSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038261612 849831913 /nfs/dbraw/zinc/83/19/13/849831913.db2.gz DZRPUKVXMDLYBE-HZSPNIEDSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038715505 849993099 /nfs/dbraw/zinc/99/30/99/849993099.db2.gz ICGVTIYYPWHRSU-MGPQQGTHSA-N 2 2 286.379 0.737 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038715505 849993104 /nfs/dbraw/zinc/99/31/04/849993104.db2.gz ICGVTIYYPWHRSU-MGPQQGTHSA-N 2 2 286.379 0.737 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043627757 850911406 /nfs/dbraw/zinc/91/14/06/850911406.db2.gz HBWGMWQZVKORRK-OAHLLOKOSA-N 2 2 295.427 0.814 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043627757 850911408 /nfs/dbraw/zinc/91/14/08/850911408.db2.gz HBWGMWQZVKORRK-OAHLLOKOSA-N 2 2 295.427 0.814 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC=C)C2)CC1 ZINC001044334816 851080043 /nfs/dbraw/zinc/08/00/43/851080043.db2.gz WTOFERVCTOZBBH-UHFFFAOYSA-N 2 2 275.396 0.660 20 30 CCEDLP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046846383 851628341 /nfs/dbraw/zinc/62/83/41/851628341.db2.gz USUGQCMDROLQMI-HOCLYGCPSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046846383 851628347 /nfs/dbraw/zinc/62/83/47/851628347.db2.gz USUGQCMDROLQMI-HOCLYGCPSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046846383 851628352 /nfs/dbraw/zinc/62/83/52/851628352.db2.gz USUGQCMDROLQMI-HOCLYGCPSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046846383 851628356 /nfs/dbraw/zinc/62/83/56/851628356.db2.gz USUGQCMDROLQMI-HOCLYGCPSA-N 2 2 293.411 0.311 20 30 CCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)O2 ZINC001053698388 852778190 /nfs/dbraw/zinc/77/81/90/852778190.db2.gz KCKCGJPEVQKYJW-ZIAGYGMSSA-N 2 2 293.411 0.474 20 30 CCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001053698388 852778196 /nfs/dbraw/zinc/77/81/96/852778196.db2.gz KCKCGJPEVQKYJW-ZIAGYGMSSA-N 2 2 293.411 0.474 20 30 CCEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001054718801 853001388 /nfs/dbraw/zinc/00/13/88/853001388.db2.gz GEKFOHIZPVGXID-AAEUAGOBSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001054718801 853001394 /nfs/dbraw/zinc/00/13/94/853001394.db2.gz GEKFOHIZPVGXID-AAEUAGOBSA-N 2 2 262.357 0.965 20 30 CCEDLP C#CCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001050773792 853427363 /nfs/dbraw/zinc/42/73/63/853427363.db2.gz RORBQTSZHDHYKW-UHFFFAOYSA-N 2 2 286.379 0.831 20 30 CCEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673471 854443906 /nfs/dbraw/zinc/44/39/06/854443906.db2.gz MMNYIJJQFFTZFG-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP CC#CC[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673471 854443915 /nfs/dbraw/zinc/44/39/15/854443915.db2.gz MMNYIJJQFFTZFG-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCF)C2 ZINC001072822379 854472575 /nfs/dbraw/zinc/47/25/75/854472575.db2.gz DQNGBURDIGRCQT-AWEZNQCLSA-N 2 2 293.386 0.588 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCF)C2 ZINC001072822379 854472576 /nfs/dbraw/zinc/47/25/76/854472576.db2.gz DQNGBURDIGRCQT-AWEZNQCLSA-N 2 2 293.386 0.588 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCF)C2 ZINC001072822379 854472577 /nfs/dbraw/zinc/47/25/77/854472577.db2.gz DQNGBURDIGRCQT-AWEZNQCLSA-N 2 2 293.386 0.588 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCF)C2 ZINC001072822379 854472578 /nfs/dbraw/zinc/47/25/78/854472578.db2.gz DQNGBURDIGRCQT-AWEZNQCLSA-N 2 2 293.386 0.588 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001074717328 854770317 /nfs/dbraw/zinc/77/03/17/854770317.db2.gz LRYPMFBOTYCUFD-YDHLFZDLSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183482 854920737 /nfs/dbraw/zinc/92/07/37/854920737.db2.gz HDPISXZPXZTEAM-ZFWWWQNUSA-N 2 2 272.352 0.487 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183482 854920749 /nfs/dbraw/zinc/92/07/49/854920749.db2.gz HDPISXZPXZTEAM-ZFWWWQNUSA-N 2 2 272.352 0.487 20 30 CCEDLP C#CC[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391519 855159679 /nfs/dbraw/zinc/15/96/79/855159679.db2.gz OYPCIGQLNIUNCG-UHFFFAOYSA-N 2 2 260.341 0.460 20 30 CCEDLP C#CC[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391519 855159686 /nfs/dbraw/zinc/15/96/86/855159686.db2.gz OYPCIGQLNIUNCG-UHFFFAOYSA-N 2 2 260.341 0.460 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531965 855443965 /nfs/dbraw/zinc/44/39/65/855443965.db2.gz NQFOPTRAJGHRRT-TZMCWYRMSA-N 2 2 288.395 0.968 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531965 855443967 /nfs/dbraw/zinc/44/39/67/855443967.db2.gz NQFOPTRAJGHRRT-TZMCWYRMSA-N 2 2 288.395 0.968 20 30 CCEDLP C#CC[N@@H+](C[C@@H](O)CC)C1CC[NH+](C[C@H](O)CC)CC1 ZINC001119267376 856605810 /nfs/dbraw/zinc/60/58/10/856605810.db2.gz XXPSESPDWQDFNZ-CVEARBPZSA-N 2 2 282.428 0.928 20 30 CCEDLP C#CC[N@H+](C[C@@H](O)CC)C1CC[NH+](C[C@H](O)CC)CC1 ZINC001119267376 856605813 /nfs/dbraw/zinc/60/58/13/856605813.db2.gz XXPSESPDWQDFNZ-CVEARBPZSA-N 2 2 282.428 0.928 20 30 CCEDLP C[NH+](C)Cc1cnc(C[NH2+]CCn2cnc(C#N)n2)s1 ZINC001323746590 912504367 /nfs/dbraw/zinc/50/43/67/912504367.db2.gz BMBXGKUZQOWQRY-UHFFFAOYSA-N 2 2 291.384 0.458 20 30 CCEDLP C#CC[N@H+](CC)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001480984111 892016328 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ZINC000595940975 360717709 /nfs/dbraw/zinc/71/77/09/360717709.db2.gz XMRVFSHDQOPNRR-JHJVBQTASA-N 2 2 282.388 0.233 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)[C@H](C)CO1 ZINC000595940975 360717713 /nfs/dbraw/zinc/71/77/13/360717713.db2.gz XMRVFSHDQOPNRR-JHJVBQTASA-N 2 2 282.388 0.233 20 30 CCEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721161 361495559 /nfs/dbraw/zinc/49/55/59/361495559.db2.gz SRJMUNUPZGZVQS-QWHCGFSZSA-N 2 2 268.405 0.123 20 30 CCEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721161 361495554 /nfs/dbraw/zinc/49/55/54/361495554.db2.gz SRJMUNUPZGZVQS-QWHCGFSZSA-N 2 2 268.405 0.123 20 30 CCEDLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598727851 361498534 /nfs/dbraw/zinc/49/85/34/361498534.db2.gz KFFYOWQEICMOQE-LBPRGKRZSA-N 2 2 250.346 0.853 20 30 CCEDLP COc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1C#N ZINC000228724604 189795012 /nfs/dbraw/zinc/79/50/12/189795012.db2.gz BQLPDMFKTYKBKK-HNNXBMFYSA-N 2 2 277.368 0.969 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266926018 190291222 /nfs/dbraw/zinc/29/12/22/190291222.db2.gz NINZSKQQVSSNOD-NWDGAFQWSA-N 2 2 260.341 0.727 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266926018 190291223 /nfs/dbraw/zinc/29/12/23/190291223.db2.gz NINZSKQQVSSNOD-NWDGAFQWSA-N 2 2 260.341 0.727 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266926015 190291326 /nfs/dbraw/zinc/29/13/26/190291326.db2.gz NINZSKQQVSSNOD-NEPJUHHUSA-N 2 2 260.341 0.727 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266926015 190291327 /nfs/dbraw/zinc/29/13/27/190291327.db2.gz NINZSKQQVSSNOD-NEPJUHHUSA-N 2 2 260.341 0.727 20 30 CCEDLP C#CCNC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000292762831 388956127 /nfs/dbraw/zinc/95/61/27/388956127.db2.gz IYTWXNCSQONMFD-UHFFFAOYSA-N 2 2 260.341 0.729 20 30 CCEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1C#N ZINC000087824334 389012471 /nfs/dbraw/zinc/01/24/71/389012471.db2.gz UMMHRPXIKGFOMG-OAHLLOKOSA-N 2 2 288.395 0.902 20 30 CCEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000087824334 389012477 /nfs/dbraw/zinc/01/24/77/389012477.db2.gz UMMHRPXIKGFOMG-OAHLLOKOSA-N 2 2 288.395 0.902 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@]2(C)CCOC2)CC1 ZINC000328889617 389143092 /nfs/dbraw/zinc/14/30/92/389143092.db2.gz QTPWWFIJQBOIPE-OAHLLOKOSA-N 2 2 298.431 0.695 20 30 CCEDLP Cn1c[nH+]cc1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000329736288 389194203 /nfs/dbraw/zinc/19/42/03/389194203.db2.gz SLCXVLHBXSSVRP-GFCCVEGCSA-N 2 2 263.345 0.267 20 30 CCEDLP Cn1c[nH+]cc1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000329736288 389194205 /nfs/dbraw/zinc/19/42/05/389194205.db2.gz SLCXVLHBXSSVRP-GFCCVEGCSA-N 2 2 263.345 0.267 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130370772 389204747 /nfs/dbraw/zinc/20/47/47/389204747.db2.gz PVICOJXXLHSYHQ-CYBMUJFWSA-N 2 2 277.372 0.966 20 30 CCEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCOCC1 ZINC000262011870 389279695 /nfs/dbraw/zinc/27/96/95/389279695.db2.gz UJZNIHGPZMJWLT-UHFFFAOYSA-N 2 2 263.345 0.366 20 30 CCEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])NC(C)(C)C)n1C ZINC000262519986 389287952 /nfs/dbraw/zinc/28/79/52/389287952.db2.gz HYYDJMPEVPBVLD-UHFFFAOYSA-N 2 2 252.366 0.689 20 30 CCEDLP NC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264109376 389307207 /nfs/dbraw/zinc/30/72/07/389307207.db2.gz QMJDLXMCYVIEBN-UHFFFAOYSA-N 2 2 278.356 0.171 20 30 CCEDLP C=CCNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264151839 389309387 /nfs/dbraw/zinc/30/93/87/389309387.db2.gz ZIOSNFDUGIFKGC-HNNXBMFYSA-N 2 2 288.395 0.978 20 30 CCEDLP C=CCNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264151839 389309389 /nfs/dbraw/zinc/30/93/89/389309389.db2.gz ZIOSNFDUGIFKGC-HNNXBMFYSA-N 2 2 288.395 0.978 20 30 CCEDLP N#CCC[N@H+](CCCn1cc[nH+]c1)CCN1CCOCC1 ZINC000183183760 389726528 /nfs/dbraw/zinc/72/65/28/389726528.db2.gz IUXPWYNEIUNVFL-UHFFFAOYSA-N 2 2 291.399 0.821 20 30 CCEDLP N#CCC[N@@H+](CCCn1cc[nH+]c1)CCN1CCOCC1 ZINC000183183760 389726531 /nfs/dbraw/zinc/72/65/31/389726531.db2.gz IUXPWYNEIUNVFL-UHFFFAOYSA-N 2 2 291.399 0.821 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430606770 389812124 /nfs/dbraw/zinc/81/21/24/389812124.db2.gz ARWALPIXFKJESN-VXGBXAGGSA-N 2 2 282.388 0.318 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430606770 389812127 /nfs/dbraw/zinc/81/21/27/389812127.db2.gz ARWALPIXFKJESN-VXGBXAGGSA-N 2 2 282.388 0.318 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430606767 389812396 /nfs/dbraw/zinc/81/23/96/389812396.db2.gz ARWALPIXFKJESN-NWDGAFQWSA-N 2 2 282.388 0.318 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430606767 389812397 /nfs/dbraw/zinc/81/23/97/389812397.db2.gz ARWALPIXFKJESN-NWDGAFQWSA-N 2 2 282.388 0.318 20 30 CCEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566415841 390599095 /nfs/dbraw/zinc/59/90/95/390599095.db2.gz KIRRFROGBONWFO-UHFFFAOYSA-N 2 2 290.371 0.294 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649472304 397617115 /nfs/dbraw/zinc/61/71/15/397617115.db2.gz KMXFUZDIRUDTBQ-CQSZACIVSA-N 2 2 280.416 0.000 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649472304 397617116 /nfs/dbraw/zinc/61/71/16/397617116.db2.gz KMXFUZDIRUDTBQ-CQSZACIVSA-N 2 2 280.416 0.000 20 30 CCEDLP C=CCN(CC(F)(F)F)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653077856 412210430 /nfs/dbraw/zinc/21/04/30/412210430.db2.gz NHLDJYPTZHPICY-SECBINFHSA-N 2 2 267.295 0.842 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000653727752 412340883 /nfs/dbraw/zinc/34/08/83/412340883.db2.gz WWXOXJDXCUCIMJ-ZDUSSCGKSA-N 2 2 256.390 0.748 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000741215363 581736005 /nfs/dbraw/zinc/73/60/05/581736005.db2.gz DFBHXVBKDDUFFI-UHFFFAOYSA-N 2 2 251.374 0.496 20 30 CCEDLP COCC#CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660481018 414349381 /nfs/dbraw/zinc/34/93/81/414349381.db2.gz XNXLOATUPVSMQV-HNNXBMFYSA-N 2 2 266.385 0.823 20 30 CCEDLP COCC#CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660481018 414349385 /nfs/dbraw/zinc/34/93/85/414349385.db2.gz XNXLOATUPVSMQV-HNNXBMFYSA-N 2 2 266.385 0.823 20 30 CCEDLP C=CCN1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000663304860 415040372 /nfs/dbraw/zinc/04/03/72/415040372.db2.gz UFYPRKKTUDYRBG-GJZGRUSLSA-N 2 2 293.411 0.616 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC23CCC3)CC1 ZINC000490762052 261203696 /nfs/dbraw/zinc/20/36/96/261203696.db2.gz FDKUINUGGSCZRS-UHFFFAOYSA-N 2 2 261.369 0.392 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC23CCC3)CC1 ZINC000490762052 261203697 /nfs/dbraw/zinc/20/36/97/261203697.db2.gz FDKUINUGGSCZRS-UHFFFAOYSA-N 2 2 261.369 0.392 20 30 CCEDLP CCNC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331249116 264180131 /nfs/dbraw/zinc/18/01/31/264180131.db2.gz XULBMZHIBZOMIQ-NSHDSACASA-N 2 2 294.403 0.584 20 30 CCEDLP C#CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924033 267213856 /nfs/dbraw/zinc/21/38/56/267213856.db2.gz GMYKYBXXIJWNTG-CQSZACIVSA-N 2 2 278.400 0.430 20 30 CCEDLP C#CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924033 267213858 /nfs/dbraw/zinc/21/38/58/267213858.db2.gz GMYKYBXXIJWNTG-CQSZACIVSA-N 2 2 278.400 0.430 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843865 267273990 /nfs/dbraw/zinc/27/39/90/267273990.db2.gz KQTQRHPJZCCEMZ-LBPRGKRZSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118843865 267273995 /nfs/dbraw/zinc/27/39/95/267273995.db2.gz KQTQRHPJZCCEMZ-LBPRGKRZSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118843865 267273996 /nfs/dbraw/zinc/27/39/96/267273996.db2.gz KQTQRHPJZCCEMZ-LBPRGKRZSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843865 267273998 /nfs/dbraw/zinc/27/39/98/267273998.db2.gz KQTQRHPJZCCEMZ-LBPRGKRZSA-N 2 2 282.388 0.272 20 30 CCEDLP CNC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267022597 328171736 /nfs/dbraw/zinc/17/17/36/328171736.db2.gz RJQAUTDQSAPHDZ-UHFFFAOYSA-N 2 2 264.329 0.131 20 30 CCEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2(CC#N)CC2)C[C@@H](C)O1 ZINC000568619849 327005143 /nfs/dbraw/zinc/00/51/43/327005143.db2.gz IWDZEMSYVBOYIW-MGPQQGTHSA-N 2 2 281.400 0.740 20 30 CCEDLP C=CC[C@H](CO)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423019893 330165799 /nfs/dbraw/zinc/16/57/99/330165799.db2.gz XRRZUFFLKRRWPB-YUTCNCBUSA-N 2 2 254.374 0.528 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424336323 330343450 /nfs/dbraw/zinc/34/34/50/330343450.db2.gz QBGQINIPALWCNY-GMTAPVOTSA-N 2 2 268.361 0.246 20 30 CCEDLP C=CCN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000119559546 330376103 /nfs/dbraw/zinc/37/61/03/330376103.db2.gz AQPFZVZJVCUVJD-UHFFFAOYSA-N 2 2 268.405 0.840 20 30 CCEDLP CC#CCN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458597659 331253812 /nfs/dbraw/zinc/25/38/12/331253812.db2.gz PMDRTQCDVYNMCR-UHFFFAOYSA-N 2 2 280.416 0.677 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000490740454 332111163 /nfs/dbraw/zinc/11/11/63/332111163.db2.gz LSUNAZGQEBIBDY-DZGCQCFKSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000490740454 332111164 /nfs/dbraw/zinc/11/11/64/332111164.db2.gz LSUNAZGQEBIBDY-DZGCQCFKSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000490740454 332111165 /nfs/dbraw/zinc/11/11/65/332111165.db2.gz LSUNAZGQEBIBDY-DZGCQCFKSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000490740454 332111166 /nfs/dbraw/zinc/11/11/66/332111166.db2.gz LSUNAZGQEBIBDY-DZGCQCFKSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000490741417 332111812 /nfs/dbraw/zinc/11/18/12/332111812.db2.gz UXKNKEQTHUSEPI-MRXNPFEDSA-N 2 2 293.411 0.001 20 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RVVHOXGYHLRHSA-CYBMUJFWSA-N 2 2 262.357 0.576 20 30 CCEDLP C[NH+](C)C1(CNc2cncc(CC#N)n2)CC[NH+](C)CC1 ZINC001156184905 801123484 /nfs/dbraw/zinc/12/34/84/801123484.db2.gz IPBSKRKUSOTHIN-UHFFFAOYSA-N 2 2 288.399 0.981 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971442 801543276 /nfs/dbraw/zinc/54/32/76/801543276.db2.gz YFVJYHSXXUCMAN-HIFRSBDPSA-N 2 2 257.337 0.510 20 30 CCEDLP N#Cc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(C#N)c1 ZINC001158258943 801608668 /nfs/dbraw/zinc/60/86/68/801608668.db2.gz MOMGDWGMPWBHFO-AWEZNQCLSA-N 2 2 296.378 0.827 20 30 CCEDLP N#Cc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(C#N)c1 ZINC001158258943 801608672 /nfs/dbraw/zinc/60/86/72/801608672.db2.gz MOMGDWGMPWBHFO-AWEZNQCLSA-N 2 2 296.378 0.827 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158486814 801658435 /nfs/dbraw/zinc/65/84/35/801658435.db2.gz RVMZPCVOKMYWLY-UHFFFAOYSA-N 2 2 288.395 0.881 20 30 CCEDLP N#CCN(Cc1ccccc1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160667929 801994621 /nfs/dbraw/zinc/99/46/21/801994621.db2.gz OFOLEVPETLNSDI-GOEBONIOSA-N 2 2 284.363 0.490 20 30 CCEDLP C#CC[N@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161705808 802202897 /nfs/dbraw/zinc/20/28/97/802202897.db2.gz YKKNMEKCKZRZBR-UHFFFAOYSA-N 2 2 286.379 0.734 20 30 CCEDLP C#CC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001161705808 802202901 /nfs/dbraw/zinc/20/29/01/802202901.db2.gz YKKNMEKCKZRZBR-UHFFFAOYSA-N 2 2 286.379 0.734 20 30 CCEDLP COCC#CC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594009 802573925 /nfs/dbraw/zinc/57/39/25/802573925.db2.gz QWLGEBWRGGIMEL-UHFFFAOYSA-N 2 2 278.356 0.019 20 30 CCEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299243 803503408 /nfs/dbraw/zinc/50/34/08/803503408.db2.gz LZAUGONTMMLEGG-AWEZNQCLSA-N 2 2 274.368 0.946 20 30 CCEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299243 803503411 /nfs/dbraw/zinc/50/34/11/803503411.db2.gz LZAUGONTMMLEGG-AWEZNQCLSA-N 2 2 274.368 0.946 20 30 CCEDLP C#CCC[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001276633737 803596502 /nfs/dbraw/zinc/59/65/02/803596502.db2.gz KGPFKHINFPNUPC-AWEZNQCLSA-N 2 2 274.368 0.781 20 30 CCEDLP N#Cc1cnc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cn1 ZINC001218503009 803969310 /nfs/dbraw/zinc/96/93/10/803969310.db2.gz CQUOIPHOZBQVHD-GFCCVEGCSA-N 2 2 282.307 0.559 20 30 CCEDLP N#CCc1cccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218988234 804176886 /nfs/dbraw/zinc/17/68/86/804176886.db2.gz SIKRZFPTGSZBTL-ZDUSSCGKSA-N 2 2 269.308 0.984 20 30 CCEDLP N#C[C@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220094734 804497877 /nfs/dbraw/zinc/49/78/77/804497877.db2.gz GYDUXFQKYLNQIN-HKUMRIAESA-N 2 2 262.357 0.136 20 30 CCEDLP CC1(C)CC(=O)C=C(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001220413249 804598667 /nfs/dbraw/zinc/59/86/67/804598667.db2.gz CICVVWFRJGVSAH-BONVTDFDSA-N 2 2 277.368 0.327 20 30 CCEDLP N#Cc1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)cc1F ZINC001220449571 804607806 /nfs/dbraw/zinc/60/78/06/804607806.db2.gz ZJBNQZMZFSVNFP-UHFFFAOYSA-N 2 2 276.315 0.394 20 30 CCEDLP CC(C)C[C@](C)(C#N)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001221292695 804768121 /nfs/dbraw/zinc/76/81/21/804768121.db2.gz REMPVPYDUORTOJ-OXHZDVMGSA-N 2 2 264.373 0.653 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221358943 804786451 /nfs/dbraw/zinc/78/64/51/804786451.db2.gz SBLYYJOCICITCQ-DOMZBBRYSA-N 2 2 281.400 0.200 20 30 CCEDLP C=C[C@@H]1C[C@]1([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCC ZINC001246300805 807214424 /nfs/dbraw/zinc/21/44/24/807214424.db2.gz OZSLZVJUYFPOMM-TYNCELHUSA-N 2 2 279.384 0.178 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[NH2+]C1 ZINC001246309773 807218093 /nfs/dbraw/zinc/21/80/93/807218093.db2.gz XQEPTPBHCKSKBD-NEPJUHHUSA-N 3 2 255.362 0.165 20 30 CCEDLP C=C[C@@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001253575853 808084198 /nfs/dbraw/zinc/08/41/98/808084198.db2.gz GHDGPTBLSNFJQM-CVEARBPZSA-N 2 2 298.427 0.594 20 30 CCEDLP C=C[C@@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001253575853 808084206 /nfs/dbraw/zinc/08/42/06/808084206.db2.gz GHDGPTBLSNFJQM-CVEARBPZSA-N 2 2 298.427 0.594 20 30 CCEDLP C=C[C@@H](O)C[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001253575853 808084215 /nfs/dbraw/zinc/08/42/15/808084215.db2.gz GHDGPTBLSNFJQM-CVEARBPZSA-N 2 2 298.427 0.594 20 30 CCEDLP C=C[C@@H](O)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001253575853 808084222 /nfs/dbraw/zinc/08/42/22/808084222.db2.gz GHDGPTBLSNFJQM-CVEARBPZSA-N 2 2 298.427 0.594 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083505889 815178608 /nfs/dbraw/zinc/17/86/08/815178608.db2.gz HGBYUGWSDQZOAQ-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083505889 815178611 /nfs/dbraw/zinc/17/86/11/815178611.db2.gz HGBYUGWSDQZOAQ-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505889 815178613 /nfs/dbraw/zinc/17/86/13/815178613.db2.gz HGBYUGWSDQZOAQ-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505889 815178615 /nfs/dbraw/zinc/17/86/15/815178615.db2.gz HGBYUGWSDQZOAQ-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001279037844 808630567 /nfs/dbraw/zinc/63/05/67/808630567.db2.gz CAKDJRMMQWUQEN-UONOGXRCSA-N 2 2 288.395 0.813 20 30 CCEDLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC001262482474 809317477 /nfs/dbraw/zinc/31/74/77/809317477.db2.gz DNRIUVTYRSNIDO-INTQDDNPSA-N 2 2 266.370 0.857 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001263812179 809574863 /nfs/dbraw/zinc/57/48/63/809574863.db2.gz IOKYGWXMELIXLK-HUUCEWRRSA-N 2 2 277.412 0.884 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001263812179 809574869 /nfs/dbraw/zinc/57/48/69/809574869.db2.gz IOKYGWXMELIXLK-HUUCEWRRSA-N 2 2 277.412 0.884 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001263812179 809574873 /nfs/dbraw/zinc/57/48/73/809574873.db2.gz IOKYGWXMELIXLK-HUUCEWRRSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001263875293 809595823 /nfs/dbraw/zinc/59/58/23/809595823.db2.gz NCUNVYIUZSCEGG-JHJVBQTASA-N 2 2 274.368 0.706 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001263875293 809595826 /nfs/dbraw/zinc/59/58/26/809595826.db2.gz NCUNVYIUZSCEGG-JHJVBQTASA-N 2 2 274.368 0.706 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001265484653 809789946 /nfs/dbraw/zinc/78/99/46/809789946.db2.gz KVCCPLRLHLHFCP-IHRRRGAJSA-N 2 2 286.379 0.706 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076632501 815323771 /nfs/dbraw/zinc/32/37/71/815323771.db2.gz AMOAHHMSXFYCFQ-QWHCGFSZSA-N 2 2 258.325 0.049 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076632501 815323778 /nfs/dbraw/zinc/32/37/78/815323778.db2.gz AMOAHHMSXFYCFQ-QWHCGFSZSA-N 2 2 258.325 0.049 20 30 CCEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001266029176 809921818 /nfs/dbraw/zinc/92/18/18/809921818.db2.gz LROOVRVIORFNLM-CYBMUJFWSA-N 2 2 274.368 0.424 20 30 CCEDLP C=C(C)CNC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001219879479 811704460 /nfs/dbraw/zinc/70/44/60/811704460.db2.gz GXGIXCLOCHKCCE-CHWSQXEVSA-N 2 2 251.374 0.753 20 30 CCEDLP C=C(C)CNC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001219879479 811704466 /nfs/dbraw/zinc/70/44/66/811704466.db2.gz GXGIXCLOCHKCCE-CHWSQXEVSA-N 2 2 251.374 0.753 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644002 812735969 /nfs/dbraw/zinc/73/59/69/812735969.db2.gz RUEILDZWKBXEMP-RRFJBIMHSA-N 2 2 293.411 0.426 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075644002 812735972 /nfs/dbraw/zinc/73/59/72/812735972.db2.gz RUEILDZWKBXEMP-RRFJBIMHSA-N 2 2 293.411 0.426 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644002 812735980 /nfs/dbraw/zinc/73/59/80/812735980.db2.gz RUEILDZWKBXEMP-RRFJBIMHSA-N 2 2 293.411 0.426 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644002 812735985 /nfs/dbraw/zinc/73/59/85/812735985.db2.gz RUEILDZWKBXEMP-RRFJBIMHSA-N 2 2 293.411 0.426 20 30 CCEDLP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268562582 812802767 /nfs/dbraw/zinc/80/27/67/812802767.db2.gz XQGVRGOVSQYGIG-DHCBQETCSA-N 2 2 274.368 0.894 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028607218 812969233 /nfs/dbraw/zinc/96/92/33/812969233.db2.gz MBQGUGXPHLBRSS-MGPQQGTHSA-N 2 2 286.379 0.975 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028607218 812969236 /nfs/dbraw/zinc/96/92/36/812969236.db2.gz MBQGUGXPHLBRSS-MGPQQGTHSA-N 2 2 286.379 0.975 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028607218 812969240 /nfs/dbraw/zinc/96/92/40/812969240.db2.gz MBQGUGXPHLBRSS-MGPQQGTHSA-N 2 2 286.379 0.975 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028607218 812969242 /nfs/dbraw/zinc/96/92/42/812969242.db2.gz MBQGUGXPHLBRSS-MGPQQGTHSA-N 2 2 286.379 0.975 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001088414046 814677560 /nfs/dbraw/zinc/67/75/60/814677560.db2.gz VTTDYAYDBDYMML-CQSZACIVSA-N 2 2 288.395 0.957 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030433297 816038862 /nfs/dbraw/zinc/03/88/62/816038862.db2.gz YINBEZCYFRHUCS-CQSZACIVSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030433297 816038867 /nfs/dbraw/zinc/03/88/67/816038867.db2.gz YINBEZCYFRHUCS-CQSZACIVSA-N 2 2 277.412 0.788 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696123 816454284 /nfs/dbraw/zinc/45/42/84/816454284.db2.gz KMPUWXHKUCPJQJ-KGLIPLIRSA-N 2 2 293.411 0.045 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083696123 816454286 /nfs/dbraw/zinc/45/42/86/816454286.db2.gz KMPUWXHKUCPJQJ-KGLIPLIRSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001106749849 816893588 /nfs/dbraw/zinc/89/35/88/816893588.db2.gz HPZPKXGTFSGBHL-MGPQQGTHSA-N 2 2 288.395 0.906 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106749849 816893595 /nfs/dbraw/zinc/89/35/95/816893595.db2.gz HPZPKXGTFSGBHL-MGPQQGTHSA-N 2 2 288.395 0.906 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078733578 818037980 /nfs/dbraw/zinc/03/79/80/818037980.db2.gz IVGCEFSRZYWKET-OLZOCXBDSA-N 2 2 272.352 0.602 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078777093 818049227 /nfs/dbraw/zinc/04/92/27/818049227.db2.gz RSCOQNNFORXQBY-UONOGXRCSA-N 2 2 286.379 0.613 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032978425 818402849 /nfs/dbraw/zinc/40/28/49/818402849.db2.gz ZGJSQDDWYZMPCM-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032978425 818402854 /nfs/dbraw/zinc/40/28/54/818402854.db2.gz ZGJSQDDWYZMPCM-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032978425 818402858 /nfs/dbraw/zinc/40/28/58/818402858.db2.gz ZGJSQDDWYZMPCM-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032978425 818402863 /nfs/dbraw/zinc/40/28/63/818402863.db2.gz ZGJSQDDWYZMPCM-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033786849 818935014 /nfs/dbraw/zinc/93/50/14/818935014.db2.gz ACESVRWGDYFMKT-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033786849 818935020 /nfs/dbraw/zinc/93/50/20/818935020.db2.gz ACESVRWGDYFMKT-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001033786849 818935028 /nfs/dbraw/zinc/93/50/28/818935028.db2.gz ACESVRWGDYFMKT-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001033786849 818935035 /nfs/dbraw/zinc/93/50/35/818935035.db2.gz ACESVRWGDYFMKT-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148844 819096174 /nfs/dbraw/zinc/09/61/74/819096174.db2.gz PBYOTHVMTVJEQI-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148844 819096181 /nfs/dbraw/zinc/09/61/81/819096181.db2.gz PBYOTHVMTVJEQI-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148844 819096186 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20 30 CCEDLP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001079967620 820497279 /nfs/dbraw/zinc/49/72/79/820497279.db2.gz QBBWFNUFCMBJEF-MGPQQGTHSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001079967620 820497282 /nfs/dbraw/zinc/49/72/82/820497282.db2.gz QBBWFNUFCMBJEF-MGPQQGTHSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981970 820499911 /nfs/dbraw/zinc/49/99/11/820499911.db2.gz IYZGAXOPYXDHFP-UMVBOHGHSA-N 2 2 286.379 0.515 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981970 820499920 /nfs/dbraw/zinc/49/99/20/820499920.db2.gz IYZGAXOPYXDHFP-UMVBOHGHSA-N 2 2 286.379 0.515 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782872 820630649 /nfs/dbraw/zinc/63/06/49/820630649.db2.gz FNSXWXASLPDBLE-DGCLKSJQSA-N 2 2 262.357 0.585 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 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ZINC000251864793 352512879 /nfs/dbraw/zinc/51/28/79/352512879.db2.gz TYCUEUAMPHXPMI-GHMZBOCLSA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251864793 352512882 /nfs/dbraw/zinc/51/28/82/352512882.db2.gz TYCUEUAMPHXPMI-GHMZBOCLSA-N 2 2 268.361 0.057 20 30 CCEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC1(C#N)CCC1 ZINC000346978496 355875123 /nfs/dbraw/zinc/87/51/23/355875123.db2.gz JMDBDYKDLYRTPN-UHFFFAOYSA-N 2 2 275.356 0.767 20 30 CCEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC1(C#N)CCC1 ZINC000346978496 355875128 /nfs/dbraw/zinc/87/51/28/355875128.db2.gz JMDBDYKDLYRTPN-UHFFFAOYSA-N 2 2 275.356 0.767 20 30 CCEDLP C=C[C@H](C(=O)OC)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000619720018 366341015 /nfs/dbraw/zinc/34/10/15/366341015.db2.gz UCEQPHOUYYFEOB-CYBMUJFWSA-N 2 2 269.389 0.283 20 30 CCEDLP C=C[C@H](C(=O)OC)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000619720018 366341022 /nfs/dbraw/zinc/34/10/22/366341022.db2.gz UCEQPHOUYYFEOB-CYBMUJFWSA-N 2 2 269.389 0.283 20 30 CCEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000619716286 366334347 /nfs/dbraw/zinc/33/43/47/366334347.db2.gz HNBOMXIRMGVODY-AWEZNQCLSA-N 2 2 282.384 0.758 20 30 CCEDLP C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000619718155 366337683 /nfs/dbraw/zinc/33/76/83/366337683.db2.gz BTPFWQPTDFLWMQ-GJZGRUSLSA-N 2 2 295.427 0.814 20 30 CCEDLP C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000619718155 366337690 /nfs/dbraw/zinc/33/76/90/366337690.db2.gz BTPFWQPTDFLWMQ-GJZGRUSLSA-N 2 2 295.427 0.814 20 30 CCEDLP CC[C@@H](C#N)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000593505458 360101076 /nfs/dbraw/zinc/10/10/76/360101076.db2.gz IWIFBBUROLIUNZ-LBPRGKRZSA-N 2 2 266.389 0.678 20 30 CCEDLP C[C@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)CCO1 ZINC000594436675 360305821 /nfs/dbraw/zinc/30/58/21/360305821.db2.gz FGOKDMGAHWNEFI-QWHCGFSZSA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)CCO1 ZINC000594436675 360305825 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C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1(C#N)CC1 ZINC000597994021 361301421 /nfs/dbraw/zinc/30/14/21/361301421.db2.gz XDSZQJWALMWQKH-UHFFFAOYSA-N 2 2 266.389 0.680 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNc2cc(C#N)ncn2)CC1 ZINC000564401697 291278149 /nfs/dbraw/zinc/27/81/49/291278149.db2.gz MTELAPJIYPARPI-UHFFFAOYSA-N 2 2 274.372 0.208 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC#N)C2)CC1 ZINC000613950870 364445364 /nfs/dbraw/zinc/44/53/64/364445364.db2.gz NYQIZNGVXAAEMO-NSHDSACASA-N 2 2 250.346 0.185 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC#N)C2)CC1 ZINC000613950870 364445368 /nfs/dbraw/zinc/44/53/68/364445368.db2.gz NYQIZNGVXAAEMO-NSHDSACASA-N 2 2 250.346 0.185 20 30 CCEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000638524046 375116958 /nfs/dbraw/zinc/11/69/58/375116958.db2.gz JPIAEKKKBUALLQ-UHFFFAOYSA-N 2 2 299.396 0.667 20 30 CCEDLP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000305724944 389088163 /nfs/dbraw/zinc/08/81/63/389088163.db2.gz 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389304614 /nfs/dbraw/zinc/30/46/14/389304614.db2.gz CQJRYLQAWKWFNI-UHFFFAOYSA-N 2 2 292.383 0.432 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C#N)CC2)CC1 ZINC000057907866 262350544 /nfs/dbraw/zinc/35/05/44/262350544.db2.gz WASOVEAAIURFKW-CYBMUJFWSA-N 2 2 278.400 0.775 20 30 CCEDLP COCC[N@H+](C)CCNC(=[NH2+])NCc1ccccc1OC ZINC000170913527 389468685 /nfs/dbraw/zinc/46/86/85/389468685.db2.gz JOPZLPZTVROYAE-UHFFFAOYSA-N 2 2 294.399 0.678 20 30 CCEDLP COCC[N@@H+](C)CCNC(=[NH2+])NCc1ccccc1OC ZINC000170913527 389468686 /nfs/dbraw/zinc/46/86/86/389468686.db2.gz JOPZLPZTVROYAE-UHFFFAOYSA-N 2 2 294.399 0.678 20 30 CCEDLP CN(C(=O)CC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372322353 389448763 /nfs/dbraw/zinc/44/87/63/389448763.db2.gz XHYLJIZVVUECQJ-CYBMUJFWSA-N 2 2 264.373 0.527 20 30 CCEDLP CN(C(=O)CC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372322353 389448765 /nfs/dbraw/zinc/44/87/65/389448765.db2.gz XHYLJIZVVUECQJ-CYBMUJFWSA-N 2 2 264.373 0.527 20 30 CCEDLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)(C)C#N ZINC000433311500 389908268 /nfs/dbraw/zinc/90/82/68/389908268.db2.gz HNKFSXYNHMZBRC-UHFFFAOYSA-N 2 2 266.389 0.632 20 30 CCEDLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(C)(C)C#N ZINC000433311500 389908269 /nfs/dbraw/zinc/90/82/69/389908269.db2.gz HNKFSXYNHMZBRC-UHFFFAOYSA-N 2 2 266.389 0.632 20 30 CCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000447535801 389957233 /nfs/dbraw/zinc/95/72/33/389957233.db2.gz IMRZEAQQOKYZAT-MELADBBJSA-N 2 2 250.390 0.904 20 30 CCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000447535801 389957235 /nfs/dbraw/zinc/95/72/35/389957235.db2.gz IMRZEAQQOKYZAT-MELADBBJSA-N 2 2 250.390 0.904 20 30 CCEDLP C[N@@H+]1CCN(C(=O)NCC(C)(C)CC#N)[C@@H](C[NH3+])C1 ZINC000567572763 390704056 /nfs/dbraw/zinc/70/40/56/390704056.db2.gz ZFPZWNAGNUEAOU-NSHDSACASA-N 2 2 267.377 0.211 20 30 CCEDLP C[N@H+]1CCN(C(=O)NCC(C)(C)CC#N)[C@@H](C[NH3+])C1 ZINC000567572763 390704058 /nfs/dbraw/zinc/70/40/58/390704058.db2.gz ZFPZWNAGNUEAOU-NSHDSACASA-N 2 2 267.377 0.211 20 30 CCEDLP CC[N@@H+]1CCCC[C@H]1CNC[C@@H](O)C[NH+](C)CCC#N ZINC000570795549 390719260 /nfs/dbraw/zinc/71/92/60/390719260.db2.gz XNRCMDFDQHFWDU-LSDHHAIUSA-N 2 2 282.432 0.657 20 30 CCEDLP CC[N@H+]1CCCC[C@H]1CNC[C@@H](O)C[NH+](C)CCC#N ZINC000570795549 390719261 /nfs/dbraw/zinc/71/92/61/390719261.db2.gz XNRCMDFDQHFWDU-LSDHHAIUSA-N 2 2 282.432 0.657 20 30 CCEDLP CC[NH+]1CCCC[C@H]1CNC[C@@H](O)C[N@H+](C)CCC#N ZINC000570795549 390719263 /nfs/dbraw/zinc/71/92/63/390719263.db2.gz XNRCMDFDQHFWDU-LSDHHAIUSA-N 2 2 282.432 0.657 20 30 CCEDLP CC[NH+]1CCCC[C@H]1CNC[C@@H](O)C[N@@H+](C)CCC#N ZINC000570795549 390719264 /nfs/dbraw/zinc/71/92/64/390719264.db2.gz XNRCMDFDQHFWDU-LSDHHAIUSA-N 2 2 282.432 0.657 20 30 CCEDLP COCC#CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660481020 414349961 /nfs/dbraw/zinc/34/99/61/414349961.db2.gz XNXLOATUPVSMQV-OAHLLOKOSA-N 2 2 266.385 0.823 20 30 CCEDLP COCC#CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660481020 414349968 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COCC[N@@H+](C)CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000104183628 616951375 /nfs/dbraw/zinc/95/13/75/616951375.db2.gz RSLWJAQGVPHOGM-LBPRGKRZSA-N 2 2 256.394 0.611 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001026385964 625423105 /nfs/dbraw/zinc/42/31/05/625423105.db2.gz JCYAYDPVHLVPQW-YNEHKIRRSA-N 2 2 272.352 0.412 20 30 CCEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009206109 625776866 /nfs/dbraw/zinc/77/68/66/625776866.db2.gz DMNCYZYQJRBGLX-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009206109 625776880 /nfs/dbraw/zinc/77/68/80/625776880.db2.gz DMNCYZYQJRBGLX-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP N#Cc1ccc([C@H]2C[N@H+](CCOCC[NH3+])CCO2)cc1 ZINC000903824939 634658631 /nfs/dbraw/zinc/65/86/31/634658631.db2.gz VLEYKIANILCSRS-OAHLLOKOSA-N 2 2 275.352 0.907 20 30 CCEDLP N#Cc1ccc([C@H]2C[N@@H+](CCOCC[NH3+])CCO2)cc1 ZINC000903824939 634658635 /nfs/dbraw/zinc/65/86/35/634658635.db2.gz VLEYKIANILCSRS-OAHLLOKOSA-N 2 2 275.352 0.907 20 30 CCEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@@]2(CCOC2)C1 ZINC000262019963 631758011 /nfs/dbraw/zinc/75/80/11/631758011.db2.gz YOAVGYJQDWXSIB-OAHLLOKOSA-N 2 2 291.399 0.961 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000989079701 633145731 /nfs/dbraw/zinc/14/57/31/633145731.db2.gz XXRCKFJTEORATN-NEPJUHHUSA-N 2 2 290.367 0.562 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015498590 637672870 /nfs/dbraw/zinc/67/28/70/637672870.db2.gz MIGQFEQMBMDIQQ-CYBMUJFWSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015498590 637672882 /nfs/dbraw/zinc/67/28/82/637672882.db2.gz MIGQFEQMBMDIQQ-CYBMUJFWSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994406822 637934911 /nfs/dbraw/zinc/93/49/11/637934911.db2.gz KVUIEOSDIYAEQL-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994406822 637934918 /nfs/dbraw/zinc/93/49/18/637934918.db2.gz KVUIEOSDIYAEQL-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001000243578 639062334 /nfs/dbraw/zinc/06/23/34/639062334.db2.gz DKIGQMUDKHKPHA-MGPQQGTHSA-N 2 2 286.379 0.737 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001000826403 639176787 /nfs/dbraw/zinc/17/67/87/639176787.db2.gz TXZNAPFYXUJFDZ-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC=C)C1 ZINC001014780293 650487770 /nfs/dbraw/zinc/48/77/70/650487770.db2.gz RQHSUVVOQJOMEB-GJZGRUSLSA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC=C)C1 ZINC001014780293 650487771 /nfs/dbraw/zinc/48/77/71/650487771.db2.gz RQHSUVVOQJOMEB-GJZGRUSLSA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC=C)C1 ZINC001014780293 650487772 /nfs/dbraw/zinc/48/77/72/650487772.db2.gz RQHSUVVOQJOMEB-GJZGRUSLSA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC=C)C1 ZINC001014780293 650487773 /nfs/dbraw/zinc/48/77/73/650487773.db2.gz RQHSUVVOQJOMEB-GJZGRUSLSA-N 2 2 275.396 0.851 20 30 CCEDLP C[C@H]([C@H](C)NC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000852867001 644031687 /nfs/dbraw/zinc/03/16/87/644031687.db2.gz OYLDEILISBMLKY-UONOGXRCSA-N 2 2 293.411 0.215 20 30 CCEDLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000877433784 646814765 /nfs/dbraw/zinc/81/47/65/646814765.db2.gz JDXLPTMIEUDIKU-HNNXBMFYSA-N 2 2 293.411 0.216 20 30 CCEDLP CC[C@H]1COCC[N@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000877433784 646814768 /nfs/dbraw/zinc/81/47/68/646814768.db2.gz JDXLPTMIEUDIKU-HNNXBMFYSA-N 2 2 293.411 0.216 20 30 CCEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000104160784 648203905 /nfs/dbraw/zinc/20/39/05/648203905.db2.gz CSSAKIFFTPGITM-KGLIPLIRSA-N 2 2 299.463 0.198 20 30 CCEDLP N#C[C@@H]1C[NH2+]CCN1C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001210121546 790795817 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C=C(CC[NH+](C)C)C(=O)NCCc1[nH+]ccn1C ZINC001123928643 799507922 /nfs/dbraw/zinc/50/79/22/799507922.db2.gz JSLQKWUOKSLTFX-UHFFFAOYSA-N 2 2 250.346 0.587 20 30 CCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001276405171 800227995 /nfs/dbraw/zinc/22/79/95/800227995.db2.gz JAPNQUKNVSDDSS-ZDUSSCGKSA-N 2 2 274.368 0.733 20 30 CCEDLP COCC#CC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345105 800624660 /nfs/dbraw/zinc/62/46/60/800624660.db2.gz POYHWAVKQNDVFR-UHFFFAOYSA-N 2 2 278.356 0.019 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCF ZINC001153890987 800687130 /nfs/dbraw/zinc/68/71/30/800687130.db2.gz FBLHWDGVERNPBG-KGLIPLIRSA-N 2 2 283.391 0.880 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCF ZINC001153890987 800687133 /nfs/dbraw/zinc/68/71/33/800687133.db2.gz FBLHWDGVERNPBG-KGLIPLIRSA-N 2 2 283.391 0.880 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCF ZINC001153890987 800687134 /nfs/dbraw/zinc/68/71/34/800687134.db2.gz 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20 30 CCEDLP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146759441 840370981 /nfs/dbraw/zinc/37/09/81/840370981.db2.gz WGKVHSGJFUFWFC-UONOGXRCSA-N 2 2 292.383 0.406 20 30 CCEDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001147871838 840709023 /nfs/dbraw/zinc/70/90/23/840709023.db2.gz OFIUQEBWCRDVDX-UHFFFAOYSA-N 2 2 297.362 0.740 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092200776 841001587 /nfs/dbraw/zinc/00/15/87/841001587.db2.gz PLDWSJMZCCOOQP-CJNGLKHVSA-N 2 2 288.395 0.929 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092200776 841001592 /nfs/dbraw/zinc/00/15/92/841001592.db2.gz PLDWSJMZCCOOQP-CJNGLKHVSA-N 2 2 288.395 0.929 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830451 841336436 /nfs/dbraw/zinc/33/64/36/841336436.db2.gz VNQXSQPAVWHHSM-DZGCQCFKSA-N 2 2 286.379 0.898 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830451 841336448 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QSOFOOHHBUMBTB-IACUBPJLSA-N 2 2 292.383 0.326 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200366920 847615333 /nfs/dbraw/zinc/61/53/33/847615333.db2.gz KGTHUBKQURSMAL-CYBMUJFWSA-N 2 2 290.367 0.183 20 30 CCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCCO1 ZINC001201944224 847839248 /nfs/dbraw/zinc/83/92/48/847839248.db2.gz HHPSCVYDGHUYFT-ZDUSSCGKSA-N 2 2 292.383 0.654 20 30 CCEDLP C#CC[NH2+]C/C=C\CNC(=O)c1cccc2[nH+]ccn21 ZINC001274202369 848372601 /nfs/dbraw/zinc/37/26/01/848372601.db2.gz NXHUIGZNSCMKLH-ARJAWSKDSA-N 2 2 268.320 0.843 20 30 CCEDLP C=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001274479429 848486742 /nfs/dbraw/zinc/48/67/42/848486742.db2.gz GRAWNTUSUVBFKD-UHFFFAOYSA-N 2 2 294.443 0.341 20 30 CCEDLP C=CC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001274479429 848486748 /nfs/dbraw/zinc/48/67/48/848486748.db2.gz GRAWNTUSUVBFKD-UHFFFAOYSA-N 2 2 294.443 0.341 20 30 CCEDLP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001275581419 848768532 /nfs/dbraw/zinc/76/85/32/848768532.db2.gz DAPZASCCIRVBGX-YNEHKIRRSA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001275581419 848768534 /nfs/dbraw/zinc/76/85/34/848768534.db2.gz DAPZASCCIRVBGX-YNEHKIRRSA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001275581419 848768536 /nfs/dbraw/zinc/76/85/36/848768536.db2.gz DAPZASCCIRVBGX-YNEHKIRRSA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001275581419 848768539 /nfs/dbraw/zinc/76/85/39/848768539.db2.gz DAPZASCCIRVBGX-YNEHKIRRSA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001275864914 848850870 /nfs/dbraw/zinc/85/08/70/848850870.db2.gz CUGGVNHIAQAYLY-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001275864914 848850872 /nfs/dbraw/zinc/85/08/72/848850872.db2.gz CUGGVNHIAQAYLY-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001095639530 849003889 /nfs/dbraw/zinc/00/38/89/849003889.db2.gz HMOXRYKIGGYECI-XRGAULLZSA-N 2 2 298.390 0.800 20 30 CCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC001095639530 849003891 /nfs/dbraw/zinc/00/38/91/849003891.db2.gz HMOXRYKIGGYECI-XRGAULLZSA-N 2 2 298.390 0.800 20 30 CCEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038621107 849676999 /nfs/dbraw/zinc/67/69/99/849676999.db2.gz HERUIQPCHPSAGZ-KGLIPLIRSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038621107 849677002 /nfs/dbraw/zinc/67/70/02/849677002.db2.gz HERUIQPCHPSAGZ-KGLIPLIRSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038621107 849677005 /nfs/dbraw/zinc/67/70/05/849677005.db2.gz HERUIQPCHPSAGZ-KGLIPLIRSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038621107 849677008 /nfs/dbraw/zinc/67/70/08/849677008.db2.gz HERUIQPCHPSAGZ-KGLIPLIRSA-N 2 2 281.400 0.472 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042308898 850611021 /nfs/dbraw/zinc/61/10/21/850611021.db2.gz HIGQGCFUXFPIKU-HIFRSBDPSA-N 2 2 286.379 0.519 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042308898 850611024 /nfs/dbraw/zinc/61/10/24/850611024.db2.gz HIGQGCFUXFPIKU-HIFRSBDPSA-N 2 2 286.379 0.519 20 30 CCEDLP C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001043884522 850957588 /nfs/dbraw/zinc/95/75/88/850957588.db2.gz COWDSSMYMIEKIX-DGCLKSJQSA-N 2 2 251.374 0.513 20 30 CCEDLP C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001043884522 850957597 /nfs/dbraw/zinc/95/75/97/850957597.db2.gz COWDSSMYMIEKIX-DGCLKSJQSA-N 2 2 251.374 0.513 20 30 CCEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045397818 851249341 /nfs/dbraw/zinc/24/93/41/851249341.db2.gz PMAOUCKDVOTAPN-CQSZACIVSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397818 851249348 /nfs/dbraw/zinc/24/93/48/851249348.db2.gz PMAOUCKDVOTAPN-CQSZACIVSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001045398093 851250881 /nfs/dbraw/zinc/25/08/81/851250881.db2.gz UQMPLJNLEGXMDU-ZDUSSCGKSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001045398093 851250887 /nfs/dbraw/zinc/25/08/87/851250887.db2.gz UQMPLJNLEGXMDU-ZDUSSCGKSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046221183 851430567 /nfs/dbraw/zinc/43/05/67/851430567.db2.gz XUDHRLRGKARKCL-HOCLYGCPSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046221183 851430568 /nfs/dbraw/zinc/43/05/68/851430568.db2.gz XUDHRLRGKARKCL-HOCLYGCPSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046221183 851430570 /nfs/dbraw/zinc/43/05/70/851430570.db2.gz XUDHRLRGKARKCL-HOCLYGCPSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046221183 851430571 /nfs/dbraw/zinc/43/05/71/851430571.db2.gz XUDHRLRGKARKCL-HOCLYGCPSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046431652 851499893 /nfs/dbraw/zinc/49/98/93/851499893.db2.gz GLFGKHIKXMIHLN-OAHLLOKOSA-N 2 2 290.367 0.564 20 30 CCEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046431652 851499897 /nfs/dbraw/zinc/49/98/97/851499897.db2.gz GLFGKHIKXMIHLN-OAHLLOKOSA-N 2 2 290.367 0.564 20 30 CCEDLP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049840958 852383284 /nfs/dbraw/zinc/38/32/84/852383284.db2.gz PPVBZLMMPNJQSH-CABCVRRESA-N 2 2 286.379 0.661 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001049840958 852383296 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CCEDLP CC#CC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071994325 854332862 /nfs/dbraw/zinc/33/28/62/854332862.db2.gz FDEZULUILQHQKC-UONOGXRCSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072084394 854345468 /nfs/dbraw/zinc/34/54/68/854345468.db2.gz BIFIJINZIJSSBK-TZMCWYRMSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001072084394 854345475 /nfs/dbraw/zinc/34/54/75/854345475.db2.gz BIFIJINZIJSSBK-TZMCWYRMSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001098405588 854865330 /nfs/dbraw/zinc/86/53/30/854865330.db2.gz GFJOMUYSLXVWRS-MCIONIFRSA-N 2 2 272.352 0.546 20 30 CCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001098405588 854865337 /nfs/dbraw/zinc/86/53/37/854865337.db2.gz GFJOMUYSLXVWRS-MCIONIFRSA-N 2 2 272.352 0.546 20 30 CCEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098491118 854869439 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C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001330296197 916536269 /nfs/dbraw/zinc/53/62/69/916536269.db2.gz KBNZDBNYQGXUMV-QKDCVEJESA-N 2 2 286.379 0.660 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001330296197 916536285 /nfs/dbraw/zinc/53/62/85/916536285.db2.gz KBNZDBNYQGXUMV-QKDCVEJESA-N 2 2 286.379 0.660 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001330296197 916536299 /nfs/dbraw/zinc/53/62/99/916536299.db2.gz KBNZDBNYQGXUMV-QKDCVEJESA-N 2 2 286.379 0.660 20 30 CCEDLP C#CC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001332874004 918500067 /nfs/dbraw/zinc/50/00/67/918500067.db2.gz ITGVVAYLXCRELV-LLVKDONJSA-N 2 2 262.357 0.706 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)CCOC(C)C)CC1 ZINC001335412622 920180873 /nfs/dbraw/zinc/18/08/73/920180873.db2.gz QARXHNNZQWEQDF-OAHLLOKOSA-N 2 2 268.401 0.850 20 30 CCEDLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC001356607105 926407338 /nfs/dbraw/zinc/40/73/38/926407338.db2.gz MXCQACULIHBTPH-STQMWFEESA-N 2 2 282.388 0.187 20 30 CCEDLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407988070 260151473 /nfs/dbraw/zinc/15/14/73/260151473.db2.gz CABQSPKRHXMKBK-QWHCGFSZSA-N 2 2 264.373 0.384 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)CC#N)CC1 ZINC000602865647 362848746 /nfs/dbraw/zinc/84/87/46/362848746.db2.gz XAVBPMDXQDNLDZ-VXGBXAGGSA-N 2 2 252.362 0.431 20 30 CCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000300691508 354067408 /nfs/dbraw/zinc/06/74/08/354067408.db2.gz VNKGFYBSJJRZIH-GJZGRUSLSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000300691508 354067413 /nfs/dbraw/zinc/06/74/13/354067413.db2.gz VNKGFYBSJJRZIH-GJZGRUSLSA-N 2 2 289.379 0.982 20 30 CCEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000619719305 366339147 /nfs/dbraw/zinc/33/91/47/366339147.db2.gz LDRRSSCKBBISHS-CYBMUJFWSA-N 2 2 297.399 0.104 20 30 CCEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000595561279 360581433 /nfs/dbraw/zinc/58/14/33/360581433.db2.gz DSQNDKKEFDSDFG-STQMWFEESA-N 2 2 255.362 0.038 20 30 CCEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(CC#N)C1 ZINC000595561279 360581436 /nfs/dbraw/zinc/58/14/36/360581436.db2.gz DSQNDKKEFDSDFG-STQMWFEESA-N 2 2 255.362 0.038 20 30 CCEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000595561279 360581439 /nfs/dbraw/zinc/58/14/39/360581439.db2.gz DSQNDKKEFDSDFG-STQMWFEESA-N 2 2 255.362 0.038 20 30 CCEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000595561279 360581442 /nfs/dbraw/zinc/58/14/42/360581442.db2.gz DSQNDKKEFDSDFG-STQMWFEESA-N 2 2 255.362 0.038 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC000596453958 360899189 /nfs/dbraw/zinc/89/91/89/360899189.db2.gz OONOIAIVLRGGDH-UHFFFAOYSA-N 2 2 277.372 0.500 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC000596453958 360899192 /nfs/dbraw/zinc/89/91/92/360899192.db2.gz OONOIAIVLRGGDH-UHFFFAOYSA-N 2 2 277.372 0.500 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181328111 189293790 /nfs/dbraw/zinc/29/37/90/189293790.db2.gz DBPVBPZGFBJADT-UHFFFAOYSA-N 2 2 289.383 0.642 20 30 CCEDLP N#Cc1ccccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000598679837 361479814 /nfs/dbraw/zinc/47/98/14/361479814.db2.gz NMXNXKKYZSDKDR-MRXNPFEDSA-N 2 2 298.390 0.954 20 30 CCEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000598679837 361479820 /nfs/dbraw/zinc/47/98/20/361479820.db2.gz NMXNXKKYZSDKDR-MRXNPFEDSA-N 2 2 298.390 0.954 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000598729757 361499990 /nfs/dbraw/zinc/49/99/90/361499990.db2.gz MWNRTOFNNXLKBF-KBPBESRZSA-N 2 2 283.416 0.724 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000598729757 361499997 /nfs/dbraw/zinc/49/99/97/361499997.db2.gz MWNRTOFNNXLKBF-KBPBESRZSA-N 2 2 283.416 0.724 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCC#N)C2)CC1 ZINC000612129961 363852220 /nfs/dbraw/zinc/85/22/20/363852220.db2.gz LZSCZLFKTYJVIE-ZDUSSCGKSA-N 2 2 293.415 0.758 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCC#N)C2)CC1 ZINC000612129961 363852223 /nfs/dbraw/zinc/85/22/23/363852223.db2.gz LZSCZLFKTYJVIE-ZDUSSCGKSA-N 2 2 293.415 0.758 20 30 CCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210485 364162597 /nfs/dbraw/zinc/16/25/97/364162597.db2.gz XQDSNUSBEDHJBY-MCIONIFRSA-N 2 2 265.401 0.951 20 30 CCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210485 364162605 /nfs/dbraw/zinc/16/26/05/364162605.db2.gz XQDSNUSBEDHJBY-MCIONIFRSA-N 2 2 265.401 0.951 20 30 CCEDLP C#CCNC(=O)CC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000293681912 388986604 /nfs/dbraw/zinc/98/66/04/388986604.db2.gz BBBVCCBNZUFPCL-LBPRGKRZSA-N 2 2 294.424 0.235 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000337131506 389046845 /nfs/dbraw/zinc/04/68/45/389046845.db2.gz ACEYLHNZAZZJOI-QWHCGFSZSA-N 2 2 251.374 0.657 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000337131506 389046846 /nfs/dbraw/zinc/04/68/46/389046846.db2.gz ACEYLHNZAZZJOI-QWHCGFSZSA-N 2 2 251.374 0.657 20 30 CCEDLP CC#CC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000339752569 389138329 /nfs/dbraw/zinc/13/83/29/389138329.db2.gz LFDLWXICAQWBMN-HNNXBMFYSA-N 2 2 295.427 0.415 20 30 CCEDLP CC#CC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000339752569 389138332 /nfs/dbraw/zinc/13/83/32/389138332.db2.gz LFDLWXICAQWBMN-HNNXBMFYSA-N 2 2 295.427 0.415 20 30 CCEDLP CC#CC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000339752569 389138335 /nfs/dbraw/zinc/13/83/35/389138335.db2.gz LFDLWXICAQWBMN-HNNXBMFYSA-N 2 2 295.427 0.415 20 30 CCEDLP CC#CC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339752569 389138338 /nfs/dbraw/zinc/13/83/38/389138338.db2.gz LFDLWXICAQWBMN-HNNXBMFYSA-N 2 2 295.427 0.415 20 30 CCEDLP C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C1=CC[NH+](C)CC1 ZINC000329699896 389189727 /nfs/dbraw/zinc/18/97/27/389189727.db2.gz GHVNEZLJKKZOEQ-JSGCOSHPSA-N 2 2 296.415 0.471 20 30 CCEDLP C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1=CC[NH+](C)CC1 ZINC000329699896 389189728 /nfs/dbraw/zinc/18/97/28/389189728.db2.gz GHVNEZLJKKZOEQ-JSGCOSHPSA-N 2 2 296.415 0.471 20 30 CCEDLP C[C@H](NC(=O)NC[C@H]1C[NH+](C)CCO1)C1=CC[N@H+](C)CC1 ZINC000329699896 389189731 /nfs/dbraw/zinc/18/97/31/389189731.db2.gz GHVNEZLJKKZOEQ-JSGCOSHPSA-N 2 2 296.415 0.471 20 30 CCEDLP C[C@H](NC(=O)NC[C@H]1C[NH+](C)CCO1)C1=CC[N@@H+](C)CC1 ZINC000329699896 389189733 /nfs/dbraw/zinc/18/97/33/389189733.db2.gz GHVNEZLJKKZOEQ-JSGCOSHPSA-N 2 2 296.415 0.471 20 30 CCEDLP C[C@@H](NC(=O)NCC[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000329318822 389157015 /nfs/dbraw/zinc/15/70/15/389157015.db2.gz IHYINPCHWXSATO-CYBMUJFWSA-N 2 2 296.415 0.473 20 30 CCEDLP C[C@@H](NC(=O)NCC[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000329318822 389157020 /nfs/dbraw/zinc/15/70/20/389157020.db2.gz IHYINPCHWXSATO-CYBMUJFWSA-N 2 2 296.415 0.473 20 30 CCEDLP C=CCC[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000342718167 389248639 /nfs/dbraw/zinc/24/86/39/389248639.db2.gz HXDUUOKAAYKHMK-UHFFFAOYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CCC[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000342718167 389248642 /nfs/dbraw/zinc/24/86/42/389248642.db2.gz HXDUUOKAAYKHMK-UHFFFAOYSA-N 2 2 283.416 0.721 20 30 CCEDLP C#CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000158176433 389337134 /nfs/dbraw/zinc/33/71/34/389337134.db2.gz NPLZLKPCLLPHBQ-YIONKMFJSA-N 2 2 290.411 0.572 20 30 CCEDLP C#CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000158176433 389337136 /nfs/dbraw/zinc/33/71/36/389337136.db2.gz NPLZLKPCLLPHBQ-YIONKMFJSA-N 2 2 290.411 0.572 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264630393 389339947 /nfs/dbraw/zinc/33/99/47/389339947.db2.gz TWDROIYNZPBYME-OAHLLOKOSA-N 2 2 286.379 0.988 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000264630393 389339951 /nfs/dbraw/zinc/33/99/51/389339951.db2.gz TWDROIYNZPBYME-OAHLLOKOSA-N 2 2 286.379 0.988 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[C@H]1C ZINC000262787364 389294940 /nfs/dbraw/zinc/29/49/40/389294940.db2.gz NBKPLSSXQZXETM-MWLCHTKSSA-N 2 2 264.377 0.560 20 30 CCEDLP C[NH+]=C(NCc1ccco1)NC[C@H]1C[N@H+](C)CCO1 ZINC000264034865 389304082 /nfs/dbraw/zinc/30/40/82/389304082.db2.gz FXWYPXATQKQEQK-LBPRGKRZSA-N 2 2 266.345 0.275 20 30 CCEDLP C[NH+]=C(NCc1ccco1)NC[C@H]1C[N@@H+](C)CCO1 ZINC000264034865 389304084 /nfs/dbraw/zinc/30/40/84/389304084.db2.gz FXWYPXATQKQEQK-LBPRGKRZSA-N 2 2 266.345 0.275 20 30 CCEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000366554334 389304610 /nfs/dbraw/zinc/30/46/10/389304610.db2.gz BLDQIBMQNZCLSM-JKSUJKDBSA-N 2 2 290.411 0.822 20 30 CCEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000366554334 389304613 /nfs/dbraw/zinc/30/46/13/389304613.db2.gz BLDQIBMQNZCLSM-JKSUJKDBSA-N 2 2 290.411 0.822 20 30 CCEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000366554334 389304615 /nfs/dbraw/zinc/30/46/15/389304615.db2.gz BLDQIBMQNZCLSM-JKSUJKDBSA-N 2 2 290.411 0.822 20 30 CCEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000366554334 389304619 /nfs/dbraw/zinc/30/46/19/389304619.db2.gz BLDQIBMQNZCLSM-JKSUJKDBSA-N 2 2 290.411 0.822 20 30 CCEDLP COCCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000264121743 389307451 /nfs/dbraw/zinc/30/74/51/389307451.db2.gz VGQABMHNGHODOV-UHFFFAOYSA-N 2 2 288.355 0.626 20 30 CCEDLP C[NH+](C)C/C=C/C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000265678171 389360307 /nfs/dbraw/zinc/36/03/07/389360307.db2.gz VDVZPPWOLJTYBW-HWKANZROSA-N 2 2 294.399 0.179 20 30 CCEDLP C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373477995 389485741 /nfs/dbraw/zinc/48/57/41/389485741.db2.gz AYWMPMPGYAWMPO-QWHCGFSZSA-N 2 2 278.400 0.476 20 30 CCEDLP C#C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373477995 389485743 /nfs/dbraw/zinc/48/57/43/389485743.db2.gz AYWMPMPGYAWMPO-QWHCGFSZSA-N 2 2 278.400 0.476 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420353727 389990074 /nfs/dbraw/zinc/99/00/74/389990074.db2.gz BZDOANWYLGBZNA-GFCCVEGCSA-N 2 2 282.388 0.495 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357047 389990994 /nfs/dbraw/zinc/99/09/94/389990994.db2.gz DHCZDOYGOLNONA-AWEZNQCLSA-N 2 2 280.372 0.074 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357047 389990996 /nfs/dbraw/zinc/99/09/96/389990996.db2.gz DHCZDOYGOLNONA-AWEZNQCLSA-N 2 2 280.372 0.074 20 30 CCEDLP C=CC[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496295221 390334874 /nfs/dbraw/zinc/33/48/74/390334874.db2.gz OLQLVXUPCAQLIB-AWEZNQCLSA-N 2 2 265.357 0.978 20 30 CCEDLP C=CC[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496295221 390334878 /nfs/dbraw/zinc/33/48/78/390334878.db2.gz OLQLVXUPCAQLIB-AWEZNQCLSA-N 2 2 265.357 0.978 20 30 CCEDLP CCC#C[C@@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686088 397656332 /nfs/dbraw/zinc/65/63/32/397656332.db2.gz YAKGRVJDGSHELC-CYBMUJFWSA-N 2 2 251.374 0.494 20 30 CCEDLP CCC#C[C@@H](C)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686088 397656334 /nfs/dbraw/zinc/65/63/34/397656334.db2.gz YAKGRVJDGSHELC-CYBMUJFWSA-N 2 2 251.374 0.494 20 30 CCEDLP C=CCOCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665263973 415581840 /nfs/dbraw/zinc/58/18/40/415581840.db2.gz ZDNSXDSKGOODNZ-KGLIPLIRSA-N 2 2 254.374 0.936 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313334791 260285330 /nfs/dbraw/zinc/28/53/30/260285330.db2.gz BAILFVKBDVTRDR-CYBMUJFWSA-N 2 2 267.373 0.237 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313334791 260285331 /nfs/dbraw/zinc/28/53/31/260285331.db2.gz BAILFVKBDVTRDR-CYBMUJFWSA-N 2 2 267.373 0.237 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)CC2CC2)CC1 ZINC000490742262 261197533 /nfs/dbraw/zinc/19/75/33/261197533.db2.gz WCSZMLACCUKFKN-UHFFFAOYSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)CC2CC2)CC1 ZINC000490742262 261197534 /nfs/dbraw/zinc/19/75/34/261197534.db2.gz WCSZMLACCUKFKN-UHFFFAOYSA-N 2 2 277.412 0.886 20 30 CCEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H]1C[N@H+](C)CCO1 ZINC000170913318 261450084 /nfs/dbraw/zinc/45/00/84/261450084.db2.gz ZFXHSMGFMXVOOV-CYBMUJFWSA-N 2 2 292.383 0.430 20 30 CCEDLP COc1ccccc1CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170913318 261450086 /nfs/dbraw/zinc/45/00/86/261450086.db2.gz ZFXHSMGFMXVOOV-CYBMUJFWSA-N 2 2 292.383 0.430 20 30 CCEDLP C#CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369257913 267229101 /nfs/dbraw/zinc/22/91/01/267229101.db2.gz UFADTCRHNKREBX-LBPRGKRZSA-N 2 2 264.373 0.087 20 30 CCEDLP C#CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369257913 267229105 /nfs/dbraw/zinc/22/91/05/267229105.db2.gz UFADTCRHNKREBX-LBPRGKRZSA-N 2 2 264.373 0.087 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000570338410 327584573 /nfs/dbraw/zinc/58/45/73/327584573.db2.gz ZLISFYNCVNTWPX-LBPRGKRZSA-N 2 2 269.389 0.378 20 30 CCEDLP CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171146152 329074710 /nfs/dbraw/zinc/07/47/10/329074710.db2.gz LBXSGUOKEVTEJI-NSHDSACASA-N 2 2 256.394 0.800 20 30 CCEDLP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCOC(C)(C)C1 ZINC000171146152 329074712 /nfs/dbraw/zinc/07/47/12/329074712.db2.gz LBXSGUOKEVTEJI-NSHDSACASA-N 2 2 256.394 0.800 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CC#N)CC2)CC1 ZINC000397339408 329349898 /nfs/dbraw/zinc/34/98/98/329349898.db2.gz CILTYVPZSMICQR-UHFFFAOYSA-N 2 2 264.373 0.386 20 30 CCEDLP C#CCNC(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000262661102 330025110 /nfs/dbraw/zinc/02/51/10/330025110.db2.gz ZUKUGXQQPOUYQA-BETUJISGSA-N 2 2 280.416 0.672 20 30 CCEDLP C#CCNC(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000262661102 330025111 /nfs/dbraw/zinc/02/51/11/330025111.db2.gz ZUKUGXQQPOUYQA-BETUJISGSA-N 2 2 280.416 0.672 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+](CC2CC2)CC2CC2)CC1 ZINC000490865589 332121880 /nfs/dbraw/zinc/12/18/80/332121880.db2.gz FEHXPZRMJMZKAB-UHFFFAOYSA-N 2 2 289.423 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)C2CC2)CC1 ZINC000490915756 332128586 /nfs/dbraw/zinc/12/85/86/332128586.db2.gz OYLVWZIANMJGQC-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)C2CC2)CC1 ZINC000490915756 332128587 /nfs/dbraw/zinc/12/85/87/332128587.db2.gz OYLVWZIANMJGQC-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC=C(COC)CC2)CC1 ZINC000491019548 332139387 /nfs/dbraw/zinc/13/93/87/332139387.db2.gz AYEGYLQBPXCHRC-UHFFFAOYSA-N 2 2 291.395 0.042 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC=C(COC)CC2)CC1 ZINC000491019548 332139388 /nfs/dbraw/zinc/13/93/88/332139388.db2.gz AYEGYLQBPXCHRC-UHFFFAOYSA-N 2 2 291.395 0.042 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000491786248 332348846 /nfs/dbraw/zinc/34/88/46/332348846.db2.gz VSIVXSZBEOWJHC-AWEZNQCLSA-N 2 2 277.412 0.932 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581346911 336055500 /nfs/dbraw/zinc/05/55/00/336055500.db2.gz DOEAOAXRRWAONT-LBPRGKRZSA-N 2 2 290.371 0.292 20 30 CCEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C#N)CC1 ZINC000385879741 336159081 /nfs/dbraw/zinc/15/90/81/336159081.db2.gz BNBDASJRQMBLBX-CYBMUJFWSA-N 2 2 255.362 0.161 20 30 CCEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C#N)CC1 ZINC000385879741 336159082 /nfs/dbraw/zinc/15/90/82/336159082.db2.gz BNBDASJRQMBLBX-CYBMUJFWSA-N 2 2 255.362 0.161 20 30 CCEDLP C=C[C@](C)(O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616899 545184117 /nfs/dbraw/zinc/18/41/17/545184117.db2.gz HDARTTRRUXQOHN-ZBFHGGJFSA-N 2 2 295.427 0.550 20 30 CCEDLP C=C[C@](C)(O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616899 545184118 /nfs/dbraw/zinc/18/41/18/545184118.db2.gz HDARTTRRUXQOHN-ZBFHGGJFSA-N 2 2 295.427 0.550 20 30 CCEDLP COCC#CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000677816896 545373160 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C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCCC#N)C2)C1 ZINC000795335360 581404368 /nfs/dbraw/zinc/40/43/68/581404368.db2.gz OFLZEHMPNMCESR-CYBMUJFWSA-N 2 2 250.346 0.044 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000757045955 581690800 /nfs/dbraw/zinc/69/08/00/581690800.db2.gz YENFBLUPEKZGLB-KFWWJZLASA-N 2 2 277.412 0.929 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000757045955 581690801 /nfs/dbraw/zinc/69/08/01/581690801.db2.gz YENFBLUPEKZGLB-KFWWJZLASA-N 2 2 277.412 0.929 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000757045955 581690802 /nfs/dbraw/zinc/69/08/02/581690802.db2.gz YENFBLUPEKZGLB-KFWWJZLASA-N 2 2 277.412 0.929 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC000757045955 581690804 /nfs/dbraw/zinc/69/08/04/581690804.db2.gz YENFBLUPEKZGLB-KFWWJZLASA-N 2 2 277.412 0.929 20 30 CCEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCC#N)CC[N@@H+]1C ZINC000741790971 581762922 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CCEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000948759805 613010021 /nfs/dbraw/zinc/01/00/21/613010021.db2.gz JAKFBJAHCZSQLT-AWEZNQCLSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930939 613018047 /nfs/dbraw/zinc/01/80/47/613018047.db2.gz XDMKBGGPDMYKBV-ZIAGYGMSSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930939 613018048 /nfs/dbraw/zinc/01/80/48/613018048.db2.gz XDMKBGGPDMYKBV-ZIAGYGMSSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000886365488 613074380 /nfs/dbraw/zinc/07/43/80/613074380.db2.gz JNPLGPNAEFKSEY-UONOGXRCSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000886365488 613074382 /nfs/dbraw/zinc/07/43/82/613074382.db2.gz JNPLGPNAEFKSEY-UONOGXRCSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000886365488 613074383 /nfs/dbraw/zinc/07/43/83/613074383.db2.gz JNPLGPNAEFKSEY-UONOGXRCSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000886365488 613074385 /nfs/dbraw/zinc/07/43/85/613074385.db2.gz JNPLGPNAEFKSEY-UONOGXRCSA-N 2 2 254.374 0.271 20 30 CCEDLP C#C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@H]1CCCO1 ZINC000877413355 613099779 /nfs/dbraw/zinc/09/97/79/613099779.db2.gz LKKKVPKLFQVYNQ-HUUCEWRRSA-N 2 2 280.412 0.992 20 30 CCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969836653 613123851 /nfs/dbraw/zinc/12/38/51/613123851.db2.gz NSZXHVLBROBEDM-GXTWGEPZSA-N 2 2 286.379 0.830 20 30 CCEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000928651074 613136726 /nfs/dbraw/zinc/13/67/26/613136726.db2.gz LTOIEVHXKUKGJE-ZDUSSCGKSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000923549325 613183058 /nfs/dbraw/zinc/18/30/58/613183058.db2.gz HRBLTLNJYLYUHD-ZDUSSCGKSA-N 2 2 260.341 0.405 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000923549325 613183060 /nfs/dbraw/zinc/18/30/60/613183060.db2.gz HRBLTLNJYLYUHD-ZDUSSCGKSA-N 2 2 260.341 0.405 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000884083539 613186826 /nfs/dbraw/zinc/18/68/26/613186826.db2.gz RDFPSNRXPOXTAP-KBPBESRZSA-N 2 2 289.383 0.668 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000884083539 613186828 /nfs/dbraw/zinc/18/68/28/613186828.db2.gz RDFPSNRXPOXTAP-KBPBESRZSA-N 2 2 289.383 0.668 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974751398 613282445 /nfs/dbraw/zinc/28/24/45/613282445.db2.gz INZMTUYIHWEZKZ-MGPQQGTHSA-N 2 2 293.411 0.165 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974751398 613282446 /nfs/dbraw/zinc/28/24/46/613282446.db2.gz INZMTUYIHWEZKZ-MGPQQGTHSA-N 2 2 293.411 0.165 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974751398 613282447 /nfs/dbraw/zinc/28/24/47/613282447.db2.gz 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C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150372227 800332786 /nfs/dbraw/zinc/33/27/86/800332786.db2.gz PJPDWBYWVPCBTE-CQSZACIVSA-N 2 2 292.383 0.735 20 30 CCEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155496616 800991523 /nfs/dbraw/zinc/99/15/23/800991523.db2.gz GRUZVZPHJPCMOV-LLVKDONJSA-N 2 2 250.346 0.965 20 30 CCEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155496616 800991527 /nfs/dbraw/zinc/99/15/27/800991527.db2.gz GRUZVZPHJPCMOV-LLVKDONJSA-N 2 2 250.346 0.965 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158061680 801561857 /nfs/dbraw/zinc/56/18/57/801561857.db2.gz BOTGEMDOGPCSKW-UHFFFAOYSA-N 2 2 270.336 0.985 20 30 CCEDLP N#Cc1nc(Cl)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203899 801592391 /nfs/dbraw/zinc/59/23/91/801592391.db2.gz JEMDPPXJSBRHCE-SSDOTTSWSA-N 2 2 278.703 0.049 20 30 CCEDLP Cc1ncc(C#N)c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258865 801608745 /nfs/dbraw/zinc/60/87/45/801608745.db2.gz KLOKDURNLKWIEL-CYBMUJFWSA-N 2 2 286.383 0.659 20 30 CCEDLP Cc1ncc(C#N)c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258865 801608751 /nfs/dbraw/zinc/60/87/51/801608751.db2.gz KLOKDURNLKWIEL-CYBMUJFWSA-N 2 2 286.383 0.659 20 30 CCEDLP N#Cc1ncc(Cl)nc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512220 801956679 /nfs/dbraw/zinc/95/66/79/801956679.db2.gz UURPYSQOMGXCRJ-ZDUSSCGKSA-N 2 2 292.774 0.837 20 30 CCEDLP N#CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160667882 801994815 /nfs/dbraw/zinc/99/48/15/801994815.db2.gz MNPXIFGOFIRRQZ-SOUVJXGZSA-N 2 2 284.363 0.489 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323239 802125694 /nfs/dbraw/zinc/12/56/94/802125694.db2.gz GNCRKVBJWYBMGW-ZDUSSCGKSA-N 2 2 288.395 0.942 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323239 802125700 /nfs/dbraw/zinc/12/57/00/802125700.db2.gz GNCRKVBJWYBMGW-ZDUSSCGKSA-N 2 2 288.395 0.942 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161471937 802160294 /nfs/dbraw/zinc/16/02/94/802160294.db2.gz TXTMRIDNSNPCAL-AAEUAGOBSA-N 2 2 285.338 0.669 20 30 CCEDLP N#Cc1c(F)ccnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867743 802233917 /nfs/dbraw/zinc/23/39/17/802233917.db2.gz MEUYUZVUFYSNHL-UHFFFAOYSA-N 2 2 263.320 0.927 20 30 CCEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001264382306 809648131 /nfs/dbraw/zinc/64/81/31/809648131.db2.gz IQDVVAMTPIBINH-ZDUSSCGKSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001264382306 809648135 /nfs/dbraw/zinc/64/81/35/809648135.db2.gz IQDVVAMTPIBINH-ZDUSSCGKSA-N 2 2 260.341 0.439 20 30 CCEDLP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265002746 809690935 /nfs/dbraw/zinc/69/09/35/809690935.db2.gz QFWJZVKFWRBFGH-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265002746 809690936 /nfs/dbraw/zinc/69/09/36/809690936.db2.gz QFWJZVKFWRBFGH-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP C[NH+](C)C1(CNc2nccc(C#N)n2)CC[NH+](C)CC1 ZINC001164206995 802688744 /nfs/dbraw/zinc/68/87/44/802688744.db2.gz OYYWIWNNUHZGTG-UHFFFAOYSA-N 2 2 274.372 0.786 20 30 CCEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCO[C@@H](C[NH3+])C3)c12 ZINC001166939900 802986186 /nfs/dbraw/zinc/98/61/86/802986186.db2.gz RNFDHEXIUDSMSO-JTQLQIEISA-N 2 2 257.297 0.598 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166953761 802992167 /nfs/dbraw/zinc/99/21/67/802992167.db2.gz QUMTUCVJUZMOQE-VXGBXAGGSA-N 2 2 262.357 0.806 20 30 CCEDLP N#Cc1cncc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205689304 803156601 /nfs/dbraw/zinc/15/66/01/803156601.db2.gz NLASUQQEIDTCQK-AWEZNQCLSA-N 2 2 260.341 0.629 20 30 CCEDLP N#Cc1cncc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205689304 803156606 /nfs/dbraw/zinc/15/66/06/803156606.db2.gz NLASUQQEIDTCQK-AWEZNQCLSA-N 2 2 260.341 0.629 20 30 CCEDLP N#Cc1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205688475 803156811 /nfs/dbraw/zinc/15/68/11/803156811.db2.gz IMFGAAGDKHQZEU-AWEZNQCLSA-N 2 2 260.341 0.629 20 30 CCEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205688475 803156815 /nfs/dbraw/zinc/15/68/15/803156815.db2.gz IMFGAAGDKHQZEU-AWEZNQCLSA-N 2 2 260.341 0.629 20 30 CCEDLP N#Cc1ccc2nc(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)cn2c1 ZINC001205726643 803167006 /nfs/dbraw/zinc/16/70/06/803167006.db2.gz WFFSRENHGYQMDE-MRXNPFEDSA-N 2 2 299.378 0.882 20 30 CCEDLP N#Cc1ccc2nc(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)cn2c1 ZINC001205726643 803167011 /nfs/dbraw/zinc/16/70/11/803167011.db2.gz WFFSRENHGYQMDE-MRXNPFEDSA-N 2 2 299.378 0.882 20 30 CCEDLP N#Cc1c(NC(=O)[C@@H]2COC[NH2+]2)sc2c1CC[NH2+]C2 ZINC001218552569 804002612 /nfs/dbraw/zinc/00/26/12/804002612.db2.gz IIUHAVUKFTUVPH-VIFPVBQESA-N 2 2 278.337 0.150 20 30 CCEDLP N#Cc1cccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218586745 804022553 /nfs/dbraw/zinc/02/25/53/804022553.db2.gz BVHHUNSZEMWYAQ-UHFFFAOYSA-N 2 2 259.313 0.233 20 30 CCEDLP N#Cc1ncc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1C(F)(F)F ZINC001218658513 804068804 /nfs/dbraw/zinc/06/88/04/804068804.db2.gz FORRYUASBSOTOB-QMMMGPOBSA-N 2 2 287.245 0.587 20 30 CCEDLP N#Cc1ccnnc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218701704 804088370 /nfs/dbraw/zinc/08/83/70/804088370.db2.gz XPPCKKJFQPAZIX-LBPRGKRZSA-N 2 2 282.307 0.559 20 30 CCEDLP N#Cc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(O)c1 ZINC001218989380 804176439 /nfs/dbraw/zinc/17/64/39/804176439.db2.gz VUTUPGYFGPUMSX-RULNRJAQSA-N 2 2 272.308 0.424 20 30 CCEDLP N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219314469 804267569 /nfs/dbraw/zinc/26/75/69/804267569.db2.gz JQWLQCKZMDYCTH-APPZFPTMSA-N 2 2 266.251 0.464 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083456351 815015311 /nfs/dbraw/zinc/01/53/11/815015311.db2.gz QUDXZENZZFCBMK-RDBSUJKOSA-N 2 2 281.400 0.207 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456351 815015320 /nfs/dbraw/zinc/01/53/20/815015320.db2.gz QUDXZENZZFCBMK-RDBSUJKOSA-N 2 2 281.400 0.207 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456351 815015323 /nfs/dbraw/zinc/01/53/23/815015323.db2.gz QUDXZENZZFCBMK-RDBSUJKOSA-N 2 2 281.400 0.207 20 30 CCEDLP C=C(C)C(=O)OCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220124794 804506105 /nfs/dbraw/zinc/50/61/05/804506105.db2.gz LFLYFWYXQYUIMB-CYBMUJFWSA-N 2 2 291.351 0.494 20 30 CCEDLP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220596714 804635045 /nfs/dbraw/zinc/63/50/45/804635045.db2.gz GMXFMDJBROGNJA-LSDHHAIUSA-N 2 2 295.346 0.955 20 30 CCEDLP CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221292404 804768085 /nfs/dbraw/zinc/76/80/85/804768085.db2.gz LFPBMLMFFWIEKN-AAEUAGOBSA-N 2 2 263.345 0.724 20 30 CCEDLP N#Cc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(O)c1 ZINC001222507129 804909998 /nfs/dbraw/zinc/90/99/98/804909998.db2.gz NBLAYKGCCRULGT-GJZGRUSLSA-N 2 2 286.379 0.790 20 30 CCEDLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1CC#CCOC)[NH+](C)C ZINC001276957207 805015785 /nfs/dbraw/zinc/01/57/85/805015785.db2.gz QUVWERMZRVXZLU-ZIAGYGMSSA-N 2 2 281.400 0.167 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[NH2+][C@@H](C)C1 ZINC001246306388 807217577 /nfs/dbraw/zinc/21/75/77/807217577.db2.gz WOOXFKZVJGHXND-XQQFMLRXSA-N 3 2 269.389 0.553 20 30 CCEDLP O=C1C=C2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCC2S1 ZINC001246696485 807358976 /nfs/dbraw/zinc/35/89/76/807358976.db2.gz RQWZRLAPYOBUNP-VXGBXAGGSA-N 2 2 279.409 0.355 20 30 CCEDLP O=C1C=C2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CCC2S1 ZINC001246696485 807358985 /nfs/dbraw/zinc/35/89/85/807358985.db2.gz RQWZRLAPYOBUNP-VXGBXAGGSA-N 2 2 279.409 0.355 20 30 CCEDLP O=C1C=C2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1 ZINC001246696485 807358993 /nfs/dbraw/zinc/35/89/93/807358993.db2.gz RQWZRLAPYOBUNP-VXGBXAGGSA-N 2 2 279.409 0.355 20 30 CCEDLP O=C1C=C2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC[C@H]2S1 ZINC001246696485 807359002 /nfs/dbraw/zinc/35/90/02/807359002.db2.gz RQWZRLAPYOBUNP-VXGBXAGGSA-N 2 2 279.409 0.355 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042756726 815134874 /nfs/dbraw/zinc/13/48/74/815134874.db2.gz UHMXOCFYXIKIKL-UKRRQHHQSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042756726 815134876 /nfs/dbraw/zinc/13/48/76/815134876.db2.gz UHMXOCFYXIKIKL-UKRRQHHQSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001251855043 807722858 /nfs/dbraw/zinc/72/28/58/807722858.db2.gz QZMPGKCELOKNTI-OAHLLOKOSA-N 2 2 266.385 0.556 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001251855043 807722861 /nfs/dbraw/zinc/72/28/61/807722861.db2.gz QZMPGKCELOKNTI-OAHLLOKOSA-N 2 2 266.385 0.556 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001251860469 807726450 /nfs/dbraw/zinc/72/64/50/807726450.db2.gz LNZFTZVJGVYRAX-CQSZACIVSA-N 2 2 252.358 0.167 20 30 CCEDLP C=CCN1CCC[C@H]([NH2+]C[C@H](O)C[NH+](CC)CC)C1=O ZINC001253214671 808036447 /nfs/dbraw/zinc/03/64/47/808036447.db2.gz RRYGANNJJSZFJO-KBPBESRZSA-N 2 2 283.416 0.456 20 30 CCEDLP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001278877961 808419345 /nfs/dbraw/zinc/41/93/45/808419345.db2.gz FSXHXEBXCOZLEO-ZDUSSCGKSA-N 2 2 280.372 0.279 20 30 CCEDLP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001278877961 808419349 /nfs/dbraw/zinc/41/93/49/808419349.db2.gz FSXHXEBXCOZLEO-ZDUSSCGKSA-N 2 2 280.372 0.279 20 30 CCEDLP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001278884201 808426571 /nfs/dbraw/zinc/42/65/71/808426571.db2.gz ZTABRMAVJNVJHD-ZDUSSCGKSA-N 2 2 281.400 0.210 20 30 CCEDLP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001278884201 808426575 /nfs/dbraw/zinc/42/65/75/808426575.db2.gz ZTABRMAVJNVJHD-ZDUSSCGKSA-N 2 2 281.400 0.210 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001264436391 809657526 /nfs/dbraw/zinc/65/75/26/809657526.db2.gz ALNVRCNLXSSBGC-HAQNSBGRSA-N 2 2 262.357 0.633 20 30 CCEDLP C#CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001280263251 810010017 /nfs/dbraw/zinc/01/00/17/810010017.db2.gz FKQIEYWEFAXCDV-CYBMUJFWSA-N 2 2 274.368 0.424 20 30 CCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001076986254 815429787 /nfs/dbraw/zinc/42/97/87/815429787.db2.gz QUDXZENZZFCBMK-HZSPNIEDSA-N 2 2 281.400 0.207 20 30 CCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001076986254 815429792 /nfs/dbraw/zinc/42/97/92/815429792.db2.gz QUDXZENZZFCBMK-HZSPNIEDSA-N 2 2 281.400 0.207 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076986254 815429794 /nfs/dbraw/zinc/42/97/94/815429794.db2.gz QUDXZENZZFCBMK-HZSPNIEDSA-N 2 2 281.400 0.207 20 30 CCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001076986254 815429799 /nfs/dbraw/zinc/42/97/99/815429799.db2.gz QUDXZENZZFCBMK-HZSPNIEDSA-N 2 2 281.400 0.207 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001038338726 811644759 /nfs/dbraw/zinc/64/47/59/811644759.db2.gz AQLIXGRCGZTVTO-LSDHHAIUSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001038338726 811644762 /nfs/dbraw/zinc/64/47/62/811644762.db2.gz AQLIXGRCGZTVTO-LSDHHAIUSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001038338726 811644765 /nfs/dbraw/zinc/64/47/65/811644765.db2.gz AQLIXGRCGZTVTO-LSDHHAIUSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001038338726 811644768 /nfs/dbraw/zinc/64/47/68/811644768.db2.gz AQLIXGRCGZTVTO-LSDHHAIUSA-N 2 2 277.412 0.788 20 30 CCEDLP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267991631 811929854 /nfs/dbraw/zinc/92/98/54/811929854.db2.gz PWJGFVGKCSDGJD-QWHCGFSZSA-N 2 2 276.384 0.973 20 30 CCEDLP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001268740939 813057136 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O=C(NCC[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2)C1N=CC=CC1=O ZINC000925416986 816715630 /nfs/dbraw/zinc/71/56/30/816715630.db2.gz WAMVPKPNUGVIJG-FXPBBYGFSA-N 2 2 290.367 0.197 20 30 CCEDLP O=C(NCC[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2)C1N=CC=CC1=O ZINC000925416986 816715634 /nfs/dbraw/zinc/71/56/34/816715634.db2.gz WAMVPKPNUGVIJG-FXPBBYGFSA-N 2 2 290.367 0.197 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083732947 816824252 /nfs/dbraw/zinc/82/42/52/816824252.db2.gz SMMBDTBPRWMZLR-OLZOCXBDSA-N 2 2 293.367 0.302 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083732947 816824256 /nfs/dbraw/zinc/82/42/56/816824256.db2.gz SMMBDTBPRWMZLR-OLZOCXBDSA-N 2 2 293.367 0.302 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032331696 817886620 /nfs/dbraw/zinc/88/66/20/817886620.db2.gz HOGXRXPIFLYQTO-MELADBBJSA-N 2 2 279.384 0.178 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032331696 817886629 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CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133355362 838609448 /nfs/dbraw/zinc/60/94/48/838609448.db2.gz XJIMGWUTBGWMGX-GJZGRUSLSA-N 2 2 288.395 0.981 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185789143 844460028 /nfs/dbraw/zinc/46/00/28/844460028.db2.gz SNBLUCVBFBEJIE-KGLIPLIRSA-N 2 2 274.368 0.591 20 30 CCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001091106236 840050937 /nfs/dbraw/zinc/05/09/37/840050937.db2.gz LKOODVHCBZKZCP-ROKHWSDSSA-N 2 2 286.379 0.563 20 30 CCEDLP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146770500 840362598 /nfs/dbraw/zinc/36/25/98/840362598.db2.gz IYIDAUUAAFDPSF-ZIAGYGMSSA-N 2 2 294.399 0.959 20 30 CCEDLP N#C[C@@H]1C[C@H](F)CN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001161141182 840875244 /nfs/dbraw/zinc/87/52/44/840875244.db2.gz SDALPMCQRMTOJL-AVGNSLFASA-N 2 2 276.315 0.721 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675255 842398501 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CCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198276279 847078625 /nfs/dbraw/zinc/07/86/25/847078625.db2.gz SMABQVOCZPTJSK-ZIAGYGMSSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405367 847325243 /nfs/dbraw/zinc/32/52/43/847325243.db2.gz AZOWWDHZQDXQFF-MGPQQGTHSA-N 2 2 292.383 0.399 20 30 CCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405367 847325252 /nfs/dbraw/zinc/32/52/52/847325252.db2.gz AZOWWDHZQDXQFF-MGPQQGTHSA-N 2 2 292.383 0.399 20 30 CCEDLP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275698019 848794697 /nfs/dbraw/zinc/79/46/97/848794697.db2.gz OKZLAZOLAACGCZ-LBPRGKRZSA-N 2 2 264.373 0.975 20 30 CCEDLP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275698019 848794701 /nfs/dbraw/zinc/79/47/01/848794701.db2.gz OKZLAZOLAACGCZ-LBPRGKRZSA-N 2 2 264.373 0.975 20 30 CCEDLP C[N@H+](C[C@@H](O)COc1ccccc1C#N)CC(C)(C)[NH3+] ZINC000692031520 849082570 /nfs/dbraw/zinc/08/25/70/849082570.db2.gz PVXDZULCRDSZEI-CYBMUJFWSA-N 2 2 277.368 0.967 20 30 CCEDLP C[N@@H+](C[C@@H](O)COc1ccccc1C#N)CC(C)(C)[NH3+] ZINC000692031520 849082573 /nfs/dbraw/zinc/08/25/73/849082573.db2.gz PVXDZULCRDSZEI-CYBMUJFWSA-N 2 2 277.368 0.967 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652794 849347558 /nfs/dbraw/zinc/34/75/58/849347558.db2.gz TYFMAMDKMIKJGH-NHAGDIPZSA-N 2 2 272.352 0.343 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652794 849347563 /nfs/dbraw/zinc/34/75/63/849347563.db2.gz TYFMAMDKMIKJGH-NHAGDIPZSA-N 2 2 272.352 0.343 20 30 CCEDLP CC#CC[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001276333207 849426185 /nfs/dbraw/zinc/42/61/85/849426185.db2.gz QCLUXXQWDKFAIO-UHFFFAOYSA-N 2 2 262.357 0.424 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC ZINC001037941658 849611059 /nfs/dbraw/zinc/61/10/59/849611059.db2.gz GFGUNMKIOJPPBY-CHWSQXEVSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001037941660 849611542 /nfs/dbraw/zinc/61/15/42/849611542.db2.gz GFGUNMKIOJPPBY-QWHCGFSZSA-N 2 2 274.368 0.802 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038623700 849691603 /nfs/dbraw/zinc/69/16/03/849691603.db2.gz DPZCIPNOPOIQEG-LSDHHAIUSA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038623700 849691606 /nfs/dbraw/zinc/69/16/06/849691606.db2.gz DPZCIPNOPOIQEG-LSDHHAIUSA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038623700 849691611 /nfs/dbraw/zinc/69/16/11/849691611.db2.gz DPZCIPNOPOIQEG-LSDHHAIUSA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038623700 849691616 /nfs/dbraw/zinc/69/16/16/849691616.db2.gz DPZCIPNOPOIQEG-LSDHHAIUSA-N 2 2 295.427 0.862 20 30 CCEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038628964 849724878 /nfs/dbraw/zinc/72/48/78/849724878.db2.gz UZRANKPYMVIABI-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038628964 849724881 /nfs/dbraw/zinc/72/48/81/849724881.db2.gz UZRANKPYMVIABI-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038628964 849724887 /nfs/dbraw/zinc/72/48/87/849724887.db2.gz UZRANKPYMVIABI-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038628964 849724891 /nfs/dbraw/zinc/72/48/91/849724891.db2.gz UZRANKPYMVIABI-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038518781 849930464 /nfs/dbraw/zinc/93/04/64/849930464.db2.gz GRONRMXQVCFBTN-CQSZACIVSA-N 2 2 268.320 0.772 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038518781 849930468 /nfs/dbraw/zinc/93/04/68/849930468.db2.gz GRONRMXQVCFBTN-CQSZACIVSA-N 2 2 268.320 0.772 20 30 CCEDLP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001039350702 850177317 /nfs/dbraw/zinc/17/73/17/850177317.db2.gz KQWFPGOYLJWSAK-ILXRZTDVSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001039350702 850177322 /nfs/dbraw/zinc/17/73/22/850177322.db2.gz KQWFPGOYLJWSAK-ILXRZTDVSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350702 850177325 /nfs/dbraw/zinc/17/73/25/850177325.db2.gz KQWFPGOYLJWSAK-ILXRZTDVSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350702 850177329 /nfs/dbraw/zinc/17/73/29/850177329.db2.gz KQWFPGOYLJWSAK-ILXRZTDVSA-N 2 2 291.395 0.016 20 30 CCEDLP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042374270 850621713 /nfs/dbraw/zinc/62/17/13/850621713.db2.gz KHAGYNBIZHBJRZ-UONOGXRCSA-N 2 2 274.368 0.992 20 30 CCEDLP C=CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042374270 850621721 /nfs/dbraw/zinc/62/17/21/850621721.db2.gz KHAGYNBIZHBJRZ-UONOGXRCSA-N 2 2 274.368 0.992 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043875839 850955266 /nfs/dbraw/zinc/95/52/66/850955266.db2.gz NMZTYFAXTFUGHL-CYBMUJFWSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043875839 850955273 /nfs/dbraw/zinc/95/52/73/850955273.db2.gz NMZTYFAXTFUGHL-CYBMUJFWSA-N 2 2 263.385 0.637 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043883410 850957418 /nfs/dbraw/zinc/95/74/18/850957418.db2.gz XTFYMOLAJRKKCK-JSGCOSHPSA-N 2 2 265.401 0.903 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043883410 850957409 /nfs/dbraw/zinc/95/74/09/850957409.db2.gz XTFYMOLAJRKKCK-JSGCOSHPSA-N 2 2 265.401 0.903 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044837907 851166527 /nfs/dbraw/zinc/16/65/27/851166527.db2.gz VRNVRWKOOHHZLI-UONOGXRCSA-N 2 2 288.395 0.955 20 30 CCEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049247273 852200899 /nfs/dbraw/zinc/20/08/99/852200899.db2.gz IIUUTWQIZDWWHU-BETUJISGSA-N 2 2 260.341 0.459 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049247273 852200910 /nfs/dbraw/zinc/20/09/10/852200910.db2.gz IIUUTWQIZDWWHU-BETUJISGSA-N 2 2 260.341 0.459 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001096911901 852464955 /nfs/dbraw/zinc/46/49/55/852464955.db2.gz RASVBQOTPUPZLH-YIYPIFLZSA-N 2 2 279.384 0.225 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001096911901 852464959 /nfs/dbraw/zinc/46/49/59/852464959.db2.gz RASVBQOTPUPZLH-YIYPIFLZSA-N 2 2 279.384 0.225 20 30 CCEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096911901 852464964 /nfs/dbraw/zinc/46/49/64/852464964.db2.gz RASVBQOTPUPZLH-YIYPIFLZSA-N 2 2 279.384 0.225 20 30 CCEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096911901 852464967 /nfs/dbraw/zinc/46/49/67/852464967.db2.gz RASVBQOTPUPZLH-YIYPIFLZSA-N 2 2 279.384 0.225 20 30 CCEDLP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001096914066 852466306 /nfs/dbraw/zinc/46/63/06/852466306.db2.gz FDIIRSMAVYDNKI-KBXIAJHMSA-N 2 2 291.395 0.062 20 30 CCEDLP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001096914066 852466311 /nfs/dbraw/zinc/46/63/11/852466311.db2.gz FDIIRSMAVYDNKI-KBXIAJHMSA-N 2 2 291.395 0.062 20 30 CCEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096914066 852466315 /nfs/dbraw/zinc/46/63/15/852466315.db2.gz FDIIRSMAVYDNKI-KBXIAJHMSA-N 2 2 291.395 0.062 20 30 CCEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096914066 852466320 /nfs/dbraw/zinc/46/63/20/852466320.db2.gz FDIIRSMAVYDNKI-KBXIAJHMSA-N 2 2 291.395 0.062 20 30 CCEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)O2 ZINC001053698386 852778259 /nfs/dbraw/zinc/77/82/59/852778259.db2.gz KCKCGJPEVQKYJW-KGLIPLIRSA-N 2 2 293.411 0.474 20 30 CCEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001053698386 852778263 /nfs/dbraw/zinc/77/82/63/852778263.db2.gz KCKCGJPEVQKYJW-KGLIPLIRSA-N 2 2 293.411 0.474 20 30 CCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053758561 852808447 /nfs/dbraw/zinc/80/84/47/852808447.db2.gz URNFUQDNPDSATK-KGLIPLIRSA-N 2 2 291.395 0.063 20 30 CCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053758561 852808450 /nfs/dbraw/zinc/80/84/50/852808450.db2.gz URNFUQDNPDSATK-KGLIPLIRSA-N 2 2 291.395 0.063 20 30 CCEDLP C=C(C)C[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483787 854563855 /nfs/dbraw/zinc/56/38/55/854563855.db2.gz MEXZWIJHYUVOGD-UHFFFAOYSA-N 2 2 274.368 0.994 20 30 CCEDLP C=C(C)C[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483787 854563861 /nfs/dbraw/zinc/56/38/61/854563861.db2.gz MEXZWIJHYUVOGD-UHFFFAOYSA-N 2 2 274.368 0.994 20 30 CCEDLP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001073662757 854626596 /nfs/dbraw/zinc/62/65/96/854626596.db2.gz PPALHKZQMFCDEY-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073662757 854626600 /nfs/dbraw/zinc/62/66/00/854626600.db2.gz PPALHKZQMFCDEY-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073662757 854626604 /nfs/dbraw/zinc/62/66/04/854626604.db2.gz PPALHKZQMFCDEY-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073662757 854626608 /nfs/dbraw/zinc/62/66/08/854626608.db2.gz PPALHKZQMFCDEY-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581544 854750963 /nfs/dbraw/zinc/75/09/63/854750963.db2.gz CQOZZBQTUZFTCV-RWMBFGLXSA-N 2 2 267.373 0.082 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581544 854750966 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ZINC000602544577 362669459 /nfs/dbraw/zinc/66/94/59/362669459.db2.gz HKNNZVOIMANOBV-RUXDESIVSA-N 2 2 250.390 0.904 20 30 CCEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602544577 362669461 /nfs/dbraw/zinc/66/94/61/362669461.db2.gz HKNNZVOIMANOBV-RUXDESIVSA-N 2 2 250.390 0.904 20 30 CCEDLP C[C@@H](C#N)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000183813454 351393351 /nfs/dbraw/zinc/39/33/51/351393351.db2.gz RRZZEYLCOIIEEN-LBPRGKRZSA-N 2 2 274.372 0.478 20 30 CCEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000186064116 351474885 /nfs/dbraw/zinc/47/48/85/351474885.db2.gz IZOPVUVYZRIMFJ-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910166 363170248 /nfs/dbraw/zinc/17/02/48/363170248.db2.gz LEXBVZYQXBITME-RWMBFGLXSA-N 2 2 264.373 0.146 20 30 CCEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910166 363170253 /nfs/dbraw/zinc/17/02/53/363170253.db2.gz LEXBVZYQXBITME-RWMBFGLXSA-N 2 2 264.373 0.146 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266926022 352733571 /nfs/dbraw/zinc/73/35/71/352733571.db2.gz NINZSKQQVSSNOD-VXGBXAGGSA-N 2 2 260.341 0.727 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266926022 352733575 /nfs/dbraw/zinc/73/35/75/352733575.db2.gz NINZSKQQVSSNOD-VXGBXAGGSA-N 2 2 260.341 0.727 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000294095176 353868346 /nfs/dbraw/zinc/86/83/46/353868346.db2.gz XVMKGPGQXDBGSF-UHFFFAOYSA-N 2 2 297.362 0.952 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000294095176 353868349 /nfs/dbraw/zinc/86/83/49/353868349.db2.gz XVMKGPGQXDBGSF-UHFFFAOYSA-N 2 2 297.362 0.952 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000300691690 354067002 /nfs/dbraw/zinc/06/70/02/354067002.db2.gz XYRMLWGVFZQFCD-CABCVRRESA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000300691690 354067006 /nfs/dbraw/zinc/06/70/06/354067006.db2.gz XYRMLWGVFZQFCD-CABCVRRESA-N 2 2 289.379 0.982 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000610540359 363574235 /nfs/dbraw/zinc/57/42/35/363574235.db2.gz DZJCLWAFKFIQDP-UHFFFAOYSA-N 2 2 262.313 0.015 20 30 CCEDLP C=CC[C@@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655754455 412654338 /nfs/dbraw/zinc/65/43/38/412654338.db2.gz WMFJLEWFYUGOLV-KBPBESRZSA-N 2 2 254.374 0.766 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000567887408 358606050 /nfs/dbraw/zinc/60/60/50/358606050.db2.gz JWGROELMLCTDKO-UHFFFAOYSA-N 2 2 272.356 0.984 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000567887408 358606054 /nfs/dbraw/zinc/60/60/54/358606054.db2.gz JWGROELMLCTDKO-UHFFFAOYSA-N 2 2 272.356 0.984 20 30 CCEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000582308931 359134708 /nfs/dbraw/zinc/13/47/08/359134708.db2.gz COZMNGGHIMPGBF-GFCCVEGCSA-N 2 2 287.367 0.772 20 30 CCEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000582308931 359134716 /nfs/dbraw/zinc/13/47/16/359134716.db2.gz COZMNGGHIMPGBF-GFCCVEGCSA-N 2 2 287.367 0.772 20 30 CCEDLP N#Cc1cnccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000592480957 359852232 /nfs/dbraw/zinc/85/22/32/359852232.db2.gz WWZVNJFPWJBYPC-OAHLLOKOSA-N 2 2 299.378 0.349 20 30 CCEDLP N#Cc1cnccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000592480957 359852241 /nfs/dbraw/zinc/85/22/41/359852241.db2.gz WWZVNJFPWJBYPC-OAHLLOKOSA-N 2 2 299.378 0.349 20 30 CCEDLP CC[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000593465805 360094139 /nfs/dbraw/zinc/09/41/39/360094139.db2.gz UAMCDGYSHWHBNN-QWHCGFSZSA-N 2 2 278.400 0.821 20 30 CCEDLP CC[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000593465805 360094141 /nfs/dbraw/zinc/09/41/41/360094141.db2.gz UAMCDGYSHWHBNN-QWHCGFSZSA-N 2 2 278.400 0.821 20 30 CCEDLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440441 360308409 /nfs/dbraw/zinc/30/84/09/360308409.db2.gz CIRHMROZNBQWEA-CQSZACIVSA-N 2 2 296.415 0.578 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)CO1 ZINC000595940977 360717624 /nfs/dbraw/zinc/71/76/24/360717624.db2.gz XMRVFSHDQOPNRR-XQQFMLRXSA-N 2 2 282.388 0.233 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)CO1 ZINC000595940977 360717625 /nfs/dbraw/zinc/71/76/25/360717625.db2.gz XMRVFSHDQOPNRR-XQQFMLRXSA-N 2 2 282.388 0.233 20 30 CCEDLP C[C@H](CC#N)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000597344934 361066094 /nfs/dbraw/zinc/06/60/94/361066094.db2.gz SWVZGFSPDQPUAN-GFCCVEGCSA-N 2 2 266.389 0.678 20 30 CCEDLP C=C[C@](C)(O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193031 371944835 /nfs/dbraw/zinc/94/48/35/371944835.db2.gz CLFUJFXZGBNHRA-HNNXBMFYSA-N 2 2 290.367 0.709 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+](C)CCc2c[nH+]cn2C)C1=O ZINC000639623661 375868246 /nfs/dbraw/zinc/86/82/46/375868246.db2.gz SCGGEKBIEZNEED-ZDUSSCGKSA-N 2 2 262.357 0.681 20 30 CCEDLP C=CCN1CC[C@H]([N@H+](C)CCc2c[nH+]cn2C)C1=O ZINC000639623661 375868248 /nfs/dbraw/zinc/86/82/48/375868248.db2.gz SCGGEKBIEZNEED-ZDUSSCGKSA-N 2 2 262.357 0.681 20 30 CCEDLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000514774851 249103596 /nfs/dbraw/zinc/10/35/96/249103596.db2.gz SGWYNLXNJMSXKJ-INIZCTEOSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000514774851 249103598 /nfs/dbraw/zinc/10/35/98/249103598.db2.gz SGWYNLXNJMSXKJ-INIZCTEOSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000514774851 249103600 /nfs/dbraw/zinc/10/36/00/249103600.db2.gz SGWYNLXNJMSXKJ-INIZCTEOSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000514774851 249103601 /nfs/dbraw/zinc/10/36/01/249103601.db2.gz SGWYNLXNJMSXKJ-INIZCTEOSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[N@@H+]1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425225598 532973502 /nfs/dbraw/zinc/97/35/02/532973502.db2.gz LSKPIVQLYQCCBZ-CYBMUJFWSA-N 2 2 260.341 0.816 20 30 CCEDLP COCC[N@H+]1CC[C@@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425225598 532973505 /nfs/dbraw/zinc/97/35/05/532973505.db2.gz LSKPIVQLYQCCBZ-CYBMUJFWSA-N 2 2 260.341 0.816 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292062415 388945015 /nfs/dbraw/zinc/94/50/15/388945015.db2.gz CRFNYAMRSGUOOS-IUODEOHRSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292062415 388945018 /nfs/dbraw/zinc/94/50/18/388945018.db2.gz CRFNYAMRSGUOOS-IUODEOHRSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292062415 388945026 /nfs/dbraw/zinc/94/50/26/388945026.db2.gz CRFNYAMRSGUOOS-IUODEOHRSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292062415 388945028 /nfs/dbraw/zinc/94/50/28/388945028.db2.gz CRFNYAMRSGUOOS-IUODEOHRSA-N 2 2 294.399 0.414 20 30 CCEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000339020137 389122580 /nfs/dbraw/zinc/12/25/80/389122580.db2.gz DCLLJYQNOISQIP-AWEZNQCLSA-N 2 2 294.399 0.155 20 30 CCEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000339020137 389122582 /nfs/dbraw/zinc/12/25/82/389122582.db2.gz DCLLJYQNOISQIP-AWEZNQCLSA-N 2 2 294.399 0.155 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434132 389133330 /nfs/dbraw/zinc/13/33/30/389133330.db2.gz NSWKJTNMWDWARD-OAHLLOKOSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434132 389133334 /nfs/dbraw/zinc/13/33/34/389133334.db2.gz NSWKJTNMWDWARD-OAHLLOKOSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434132 389133338 /nfs/dbraw/zinc/13/33/38/389133338.db2.gz NSWKJTNMWDWARD-OAHLLOKOSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434132 389133341 /nfs/dbraw/zinc/13/33/41/389133341.db2.gz NSWKJTNMWDWARD-OAHLLOKOSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339432990 389133572 /nfs/dbraw/zinc/13/35/72/389133572.db2.gz GUWCMBQMMFENMJ-CQSZACIVSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339432990 389133577 /nfs/dbraw/zinc/13/35/77/389133577.db2.gz GUWCMBQMMFENMJ-CQSZACIVSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339432990 389133582 /nfs/dbraw/zinc/13/35/82/389133582.db2.gz GUWCMBQMMFENMJ-CQSZACIVSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339432990 389133586 /nfs/dbraw/zinc/13/35/86/389133586.db2.gz GUWCMBQMMFENMJ-CQSZACIVSA-N 2 2 251.374 0.706 20 30 CCEDLP COCCNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264079393 389304795 /nfs/dbraw/zinc/30/47/95/389304795.db2.gz IGHNHJIKUCVFSB-UHFFFAOYSA-N 2 2 261.329 0.656 20 30 CCEDLP CNC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264080894 389305467 /nfs/dbraw/zinc/30/54/67/389305467.db2.gz HGHZICHQQSTGHD-UHFFFAOYSA-N 2 2 292.383 0.432 20 30 CCEDLP CC(C)CNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267462476 389371274 /nfs/dbraw/zinc/37/12/74/389371274.db2.gz VPMRFGJFGLUCCR-UHFFFAOYSA-N 2 2 252.366 0.546 20 30 CCEDLP COC[C@@H](C)NC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000269919400 389427073 /nfs/dbraw/zinc/42/70/73/389427073.db2.gz AAOOCFNCRNSTDB-LLVKDONJSA-N 2 2 250.346 0.872 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103167 390597664 /nfs/dbraw/zinc/59/76/64/390597664.db2.gz GPTMUDLMNXPORT-CYBMUJFWSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103167 390597670 /nfs/dbraw/zinc/59/76/70/390597670.db2.gz GPTMUDLMNXPORT-CYBMUJFWSA-N 2 2 281.400 0.474 20 30 CCEDLP COCC#CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325593 414710287 /nfs/dbraw/zinc/71/02/87/414710287.db2.gz MTAXCDJGZMXPPQ-CQSZACIVSA-N 2 2 254.374 0.679 20 30 CCEDLP COCC#CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325593 414710288 /nfs/dbraw/zinc/71/02/88/414710288.db2.gz MTAXCDJGZMXPPQ-CQSZACIVSA-N 2 2 254.374 0.679 20 30 CCEDLP CC#CC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000160580973 262284686 /nfs/dbraw/zinc/28/46/86/262284686.db2.gz VNJRVHZHSMFOCV-UHFFFAOYSA-N 2 2 251.374 0.496 20 30 CCEDLP CC(C)NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267009978 328171331 /nfs/dbraw/zinc/17/13/31/328171331.db2.gz LWARGKJEZIJQIQ-UHFFFAOYSA-N 2 2 292.383 0.910 20 30 CCEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2(CC#N)CC2)C[C@H](C)O1 ZINC000568619844 327005279 /nfs/dbraw/zinc/00/52/79/327005279.db2.gz IWDZEMSYVBOYIW-HZSPNIEDSA-N 2 2 281.400 0.740 20 30 CCEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2(CC#N)CC2)C[C@H](C)O1 ZINC000568619844 327005281 /nfs/dbraw/zinc/00/52/81/327005281.db2.gz IWDZEMSYVBOYIW-HZSPNIEDSA-N 2 2 281.400 0.740 20 30 CCEDLP C=CCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000261775200 329982844 /nfs/dbraw/zinc/98/28/44/329982844.db2.gz NEZNPWNSGDBRPF-VXGBXAGGSA-N 2 2 268.405 0.965 20 30 CCEDLP C[NH+]=C(NCC1CC1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261944372 329990198 /nfs/dbraw/zinc/99/01/98/329990198.db2.gz FISNTGXYINFRNL-UHFFFAOYSA-N 2 2 295.431 0.068 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@@H](COC)C1 ZINC000262431053 330010256 /nfs/dbraw/zinc/01/02/56/330010256.db2.gz FANJWSUWVPFNSN-GFCCVEGCSA-N 2 2 265.361 0.427 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2CC)CC1 ZINC000490740251 332110848 /nfs/dbraw/zinc/11/08/48/332110848.db2.gz JVTFJYPKQWPCRR-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2CC)CC1 ZINC000490740251 332110849 /nfs/dbraw/zinc/11/08/49/332110849.db2.gz JVTFJYPKQWPCRR-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000490761056 332113219 /nfs/dbraw/zinc/11/32/19/332113219.db2.gz RGEVQHDNBVTWDZ-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(CC)C2)CC1 ZINC000490830888 332118473 /nfs/dbraw/zinc/11/84/73/332118473.db2.gz NMEYDKKINGTNAG-INIZCTEOSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(CC)(CC)CCO)CC1 ZINC000491102165 332149990 /nfs/dbraw/zinc/14/99/90/332149990.db2.gz LTMWWUNMKKCARL-UHFFFAOYSA-N 2 2 295.427 0.295 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]2CC)CC1 ZINC000491127387 332154353 /nfs/dbraw/zinc/15/43/53/332154353.db2.gz WKVOFNQEZBBALF-GJZGRUSLSA-N 2 2 277.412 0.932 20 30 CCEDLP C#C[C@@H](C)[N@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000491651818 332264979 /nfs/dbraw/zinc/26/49/79/332264979.db2.gz JHMGXTAKKDPVDX-NEPJUHHUSA-N 2 2 260.341 0.647 20 30 CCEDLP C#C[C@@H](C)[N@@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000491651818 332264981 /nfs/dbraw/zinc/26/49/81/332264981.db2.gz JHMGXTAKKDPVDX-NEPJUHHUSA-N 2 2 260.341 0.647 20 30 CCEDLP C#C[C@@H]1COCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000491796311 332354908 /nfs/dbraw/zinc/35/49/08/332354908.db2.gz ZKUBQXBRQKEKKM-MRXNPFEDSA-N 2 2 279.428 0.737 20 30 CCEDLP 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C#CCC[NH2+][C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001263868754 809594519 /nfs/dbraw/zinc/59/45/19/809594519.db2.gz UDLICGOSVDVHLP-HDJSIYSDSA-N 2 2 274.368 0.781 20 30 CCEDLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC)[NH+](C)C ZINC001267715636 811677934 /nfs/dbraw/zinc/67/79/34/811677934.db2.gz GYQZCXCFOYTDNL-SOUVJXGZSA-N 2 2 293.411 0.262 20 30 CCEDLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC)[NH+](C)C ZINC001267715636 811677941 /nfs/dbraw/zinc/67/79/41/811677941.db2.gz GYQZCXCFOYTDNL-SOUVJXGZSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CCC[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167737571 811770330 /nfs/dbraw/zinc/77/03/30/811770330.db2.gz VVZHMQXNLINBMQ-UHFFFAOYSA-N 2 2 288.395 0.862 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC ZINC001038365785 811778562 /nfs/dbraw/zinc/77/85/62/811778562.db2.gz CNZATKBVEDMIRK-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC ZINC001038365785 811778571 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CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146771034 840362519 /nfs/dbraw/zinc/36/25/19/840362519.db2.gz LNVREVHNWUIPES-QWHCGFSZSA-N 2 2 262.357 0.779 20 30 CCEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696584 846145815 /nfs/dbraw/zinc/14/58/15/846145815.db2.gz SSSCZYQZOSRLAT-CYBMUJFWSA-N 2 2 274.368 0.817 20 30 CCEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696584 846145822 /nfs/dbraw/zinc/14/58/22/846145822.db2.gz SSSCZYQZOSRLAT-CYBMUJFWSA-N 2 2 274.368 0.817 20 30 CCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200366867 847615749 /nfs/dbraw/zinc/61/57/49/847615749.db2.gz JKAOJJVCDSCPRQ-ZDUSSCGKSA-N 2 2 292.383 0.735 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001275209102 848666938 /nfs/dbraw/zinc/66/69/38/848666938.db2.gz PLDGGLCTJUKMIL-QWHCGFSZSA-N 2 2 274.368 0.563 20 30 CCEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038621112 849676933 /nfs/dbraw/zinc/67/69/33/849676933.db2.gz HERUIQPCHPSAGZ-ZIAGYGMSSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038621112 849676936 /nfs/dbraw/zinc/67/69/36/849676936.db2.gz HERUIQPCHPSAGZ-ZIAGYGMSSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038621112 849676939 /nfs/dbraw/zinc/67/69/39/849676939.db2.gz HERUIQPCHPSAGZ-ZIAGYGMSSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038621112 849676943 /nfs/dbraw/zinc/67/69/43/849676943.db2.gz HERUIQPCHPSAGZ-ZIAGYGMSSA-N 2 2 281.400 0.472 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038623650 849691562 /nfs/dbraw/zinc/69/15/62/849691562.db2.gz DPZCIPNOPOIQEG-CABCVRRESA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038623650 849691567 /nfs/dbraw/zinc/69/15/67/849691567.db2.gz DPZCIPNOPOIQEG-CABCVRRESA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038623650 849691575 /nfs/dbraw/zinc/69/15/75/849691575.db2.gz DPZCIPNOPOIQEG-CABCVRRESA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038623650 849691578 /nfs/dbraw/zinc/69/15/78/849691578.db2.gz DPZCIPNOPOIQEG-CABCVRRESA-N 2 2 295.427 0.862 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001038261614 849830926 /nfs/dbraw/zinc/83/09/26/849830926.db2.gz DZRPUKVXMDLYBE-MELADBBJSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001038261614 849830928 /nfs/dbraw/zinc/83/09/28/849830928.db2.gz DZRPUKVXMDLYBE-MELADBBJSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038261614 849830931 /nfs/dbraw/zinc/83/09/31/849830931.db2.gz DZRPUKVXMDLYBE-MELADBBJSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001038261614 849830933 /nfs/dbraw/zinc/83/09/33/849830933.db2.gz DZRPUKVXMDLYBE-MELADBBJSA-N 2 2 263.385 0.540 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042250034 850601860 /nfs/dbraw/zinc/60/18/60/850601860.db2.gz SCUAWHLGQGRRQH-HIFRSBDPSA-N 2 2 286.379 0.898 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042250034 850601862 /nfs/dbraw/zinc/60/18/62/850601862.db2.gz SCUAWHLGQGRRQH-HIFRSBDPSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042756725 850753073 /nfs/dbraw/zinc/75/30/73/850753073.db2.gz UHMXOCFYXIKIKL-HIFRSBDPSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042756725 850753080 /nfs/dbraw/zinc/75/30/80/850753080.db2.gz UHMXOCFYXIKIKL-HIFRSBDPSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049067044 852155405 /nfs/dbraw/zinc/15/54/05/852155405.db2.gz WPZIQQXFJWBMTA-LXTVHRRPSA-N 2 2 298.390 0.547 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049067044 852155406 /nfs/dbraw/zinc/15/54/06/852155406.db2.gz WPZIQQXFJWBMTA-LXTVHRRPSA-N 2 2 298.390 0.547 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049173875 852186031 /nfs/dbraw/zinc/18/60/31/852186031.db2.gz JYVZNNHHOUHMQW-OKILXGFUSA-N 2 2 286.379 0.376 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049173875 852186036 /nfs/dbraw/zinc/18/60/36/852186036.db2.gz JYVZNNHHOUHMQW-OKILXGFUSA-N 2 2 286.379 0.376 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001054721978 853002969 /nfs/dbraw/zinc/00/29/69/853002969.db2.gz PCPKAAHFQPLEPQ-WCQYABFASA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001054721978 853002972 /nfs/dbraw/zinc/00/29/72/853002972.db2.gz PCPKAAHFQPLEPQ-WCQYABFASA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001054795296 853016667 /nfs/dbraw/zinc/01/66/67/853016667.db2.gz VPNOCSBJNUHUFK-OCCSQVGLSA-N 2 2 287.363 0.702 20 30 CCEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001098445990 854867167 /nfs/dbraw/zinc/86/71/67/854867167.db2.gz ZTNNWZZGMVVXGU-KBXIAJHMSA-N 2 2 291.395 0.062 20 30 CCEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001098445990 854867170 /nfs/dbraw/zinc/86/71/70/854867170.db2.gz ZTNNWZZGMVVXGU-KBXIAJHMSA-N 2 2 291.395 0.062 20 30 CCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001098445990 854867175 /nfs/dbraw/zinc/86/71/75/854867175.db2.gz ZTNNWZZGMVVXGU-KBXIAJHMSA-N 2 2 291.395 0.062 20 30 CCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001098445990 854867180 /nfs/dbraw/zinc/86/71/80/854867180.db2.gz ZTNNWZZGMVVXGU-KBXIAJHMSA-N 2 2 291.395 0.062 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001098445967 854868328 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0.779 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032448222 897578649 /nfs/dbraw/zinc/57/86/49/897578649.db2.gz OBSUVWITZKFVMT-GJZGRUSLSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1 ZINC001032448222 897578653 /nfs/dbraw/zinc/57/86/53/897578653.db2.gz OBSUVWITZKFVMT-GJZGRUSLSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C1CCC1 ZINC001032448222 897578660 /nfs/dbraw/zinc/57/86/60/897578660.db2.gz OBSUVWITZKFVMT-GJZGRUSLSA-N 2 2 275.396 0.779 20 30 CCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001486010566 898606136 /nfs/dbraw/zinc/60/61/36/898606136.db2.gz LEHCKSXICAVHJS-QWHCGFSZSA-N 2 2 292.383 0.088 20 30 CCEDLP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001490940027 903260777 /nfs/dbraw/zinc/26/07/77/903260777.db2.gz XMLHWLKPWYGLIF-HAQNSBGRSA-N 2 2 278.356 0.392 20 30 CCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001280969574 904183297 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C=C(C)C[N@H+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001317488036 909262697 /nfs/dbraw/zinc/26/26/97/909262697.db2.gz LHXKHXUFOLNBMU-UHFFFAOYSA-N 2 2 250.346 0.966 20 30 CCEDLP C=C(C)C[N@@H+](CC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001317488036 909262711 /nfs/dbraw/zinc/26/27/11/909262711.db2.gz LHXKHXUFOLNBMU-UHFFFAOYSA-N 2 2 250.346 0.966 20 30 CCEDLP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001317753728 909481659 /nfs/dbraw/zinc/48/16/59/909481659.db2.gz IRYMJRVZIYQLKN-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001317753728 909481666 /nfs/dbraw/zinc/48/16/66/909481666.db2.gz IRYMJRVZIYQLKN-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317753728 909481677 /nfs/dbraw/zinc/48/16/77/909481677.db2.gz IRYMJRVZIYQLKN-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317753728 909481686 /nfs/dbraw/zinc/48/16/86/909481686.db2.gz IRYMJRVZIYQLKN-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001318624612 909839999 /nfs/dbraw/zinc/83/99/99/909839999.db2.gz RNRZZAWYROWKKN-ZDUSSCGKSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001318624612 909840005 /nfs/dbraw/zinc/84/00/05/909840005.db2.gz RNRZZAWYROWKKN-ZDUSSCGKSA-N 2 2 281.400 0.522 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001321896998 911561627 /nfs/dbraw/zinc/56/16/27/911561627.db2.gz MLUVBOPHHIZKHP-LBPRGKRZSA-N 2 2 275.352 0.750 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001332048416 917823503 /nfs/dbraw/zinc/82/35/03/917823503.db2.gz MENOSJYHBMLGCY-YPMHNXCESA-N 2 2 274.368 0.863 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001343891951 923492840 /nfs/dbraw/zinc/49/28/40/923492840.db2.gz LIBYTTJAPNGGNS-AWEZNQCLSA-N 2 2 281.400 0.169 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC001343891951 923492855 /nfs/dbraw/zinc/49/28/55/923492855.db2.gz LIBYTTJAPNGGNS-AWEZNQCLSA-N 2 2 281.400 0.169 20 30 CCEDLP N#Cc1cnn2cc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cnc12 ZINC001346045816 924055571 /nfs/dbraw/zinc/05/55/71/924055571.db2.gz WUFDUQQVCXRFLZ-CYBMUJFWSA-N 2 2 293.334 0.902 20 30 CCEDLP C=CCC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCOCC1 ZINC001358111875 926639894 /nfs/dbraw/zinc/63/98/94/926639894.db2.gz RJWYVUREEVDLBQ-UHFFFAOYSA-N 2 2 295.427 0.899 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001443738491 929687647 /nfs/dbraw/zinc/68/76/47/929687647.db2.gz BQHRQUYLUZSNLV-CQSZACIVSA-N 3 2 294.443 0.389 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001443738491 929687654 /nfs/dbraw/zinc/68/76/54/929687654.db2.gz BQHRQUYLUZSNLV-CQSZACIVSA-N 3 2 294.443 0.389 20 30 CCEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600713945 362043325 /nfs/dbraw/zinc/04/33/25/362043325.db2.gz GZWOMROVLSSIAV-GJZGRUSLSA-N 2 2 295.427 0.988 20 30 CCEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600713945 362043333 /nfs/dbraw/zinc/04/33/33/362043333.db2.gz GZWOMROVLSSIAV-GJZGRUSLSA-N 2 2 295.427 0.988 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000600743408 362051743 /nfs/dbraw/zinc/05/17/43/362051743.db2.gz MDUKYTWKTQPQOP-KBPBESRZSA-N 2 2 281.400 0.478 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000600743408 362051747 /nfs/dbraw/zinc/05/17/47/362051747.db2.gz MDUKYTWKTQPQOP-KBPBESRZSA-N 2 2 281.400 0.478 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600754158 362053850 /nfs/dbraw/zinc/05/38/50/362053850.db2.gz DXROGZMRPZRSEE-HZPDHXFCSA-N 2 2 294.443 0.799 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000600754158 362053854 /nfs/dbraw/zinc/05/38/54/362053854.db2.gz DXROGZMRPZRSEE-HZPDHXFCSA-N 2 2 294.443 0.799 20 30 CCEDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(C#N)o1 ZINC000600769112 362057236 /nfs/dbraw/zinc/05/72/36/362057236.db2.gz OFQXWEGLIOXKOJ-UHFFFAOYSA-N 2 2 262.313 0.015 20 30 CCEDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(C#N)o1 ZINC000600769112 362057247 /nfs/dbraw/zinc/05/72/47/362057247.db2.gz OFQXWEGLIOXKOJ-UHFFFAOYSA-N 2 2 262.313 0.015 20 30 CCEDLP C=CCCOCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602198443 362553603 /nfs/dbraw/zinc/55/36/03/362553603.db2.gz YRFKCAXZGYGSCH-AWEZNQCLSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCCOCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602198443 362553609 /nfs/dbraw/zinc/55/36/09/362553609.db2.gz YRFKCAXZGYGSCH-AWEZNQCLSA-N 2 2 295.427 0.864 20 30 CCEDLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CCC[C@H]1C#N ZINC000602601024 362706008 /nfs/dbraw/zinc/70/60/08/362706008.db2.gz ILIFOOWBUKSMRH-SDDRHHMPSA-N 2 2 252.362 0.416 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)CC#N)CC1 ZINC000602865645 362848414 /nfs/dbraw/zinc/84/84/14/362848414.db2.gz XAVBPMDXQDNLDZ-RYUDHWBXSA-N 2 2 252.362 0.431 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173900795 351061554 /nfs/dbraw/zinc/06/15/54/351061554.db2.gz GOILQCVCSLNCGO-STQMWFEESA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173900795 351061556 /nfs/dbraw/zinc/06/15/56/351061556.db2.gz GOILQCVCSLNCGO-STQMWFEESA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173900795 351061557 /nfs/dbraw/zinc/06/15/57/351061557.db2.gz GOILQCVCSLNCGO-STQMWFEESA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173900795 351061559 /nfs/dbraw/zinc/06/15/59/351061559.db2.gz GOILQCVCSLNCGO-STQMWFEESA-N 2 2 251.374 0.398 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277107733 353223693 /nfs/dbraw/zinc/22/36/93/353223693.db2.gz GYHUZJSUGQJISB-CHWSQXEVSA-N 2 2 296.415 0.803 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277107733 353223698 /nfs/dbraw/zinc/22/36/98/353223698.db2.gz GYHUZJSUGQJISB-CHWSQXEVSA-N 2 2 296.415 0.803 20 30 CCEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000397804612 357772890 /nfs/dbraw/zinc/77/28/90/357772890.db2.gz GTHNTHUMXGAIEE-ZDUSSCGKSA-N 2 2 264.373 0.386 20 30 CCEDLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000397804612 357772893 /nfs/dbraw/zinc/77/28/93/357772893.db2.gz GTHNTHUMXGAIEE-ZDUSSCGKSA-N 2 2 264.373 0.386 20 30 CCEDLP N#CCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611072262 363655182 /nfs/dbraw/zinc/65/51/82/363655182.db2.gz NBWXHRACLGQJIT-CYBMUJFWSA-N 2 2 264.373 0.704 20 30 CCEDLP C[C@H](C[NH+]1CCCCC1)NC[C@@H](O)C[N@H+](C)CCC#N ZINC000591726072 359648377 /nfs/dbraw/zinc/64/83/77/359648377.db2.gz HAAIKAKYZROYAJ-HUUCEWRRSA-N 2 2 282.432 0.657 20 30 CCEDLP C[C@H](C[NH+]1CCCCC1)NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000591726072 359648381 /nfs/dbraw/zinc/64/83/81/359648381.db2.gz HAAIKAKYZROYAJ-HUUCEWRRSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+](C)C1(CNC[C@H](O)C[N@H+](C)CCC#N)CCC1 ZINC000591762647 359654647 /nfs/dbraw/zinc/65/46/47/359654647.db2.gz PHKDGYVPDJWZME-ZDUSSCGKSA-N 2 2 268.405 0.267 20 30 CCEDLP C[NH+](C)C1(CNC[C@H](O)C[N@@H+](C)CCC#N)CCC1 ZINC000591762647 359654651 /nfs/dbraw/zinc/65/46/51/359654651.db2.gz PHKDGYVPDJWZME-ZDUSSCGKSA-N 2 2 268.405 0.267 20 30 CCEDLP Cn1c(C#N)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597992913 361301619 /nfs/dbraw/zinc/30/16/19/361301619.db2.gz PFDZCOHQRWOFLI-UHFFFAOYSA-N 2 2 291.399 0.510 20 30 CCEDLP Cn1c(C#N)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597992913 361301624 /nfs/dbraw/zinc/30/16/24/361301624.db2.gz PFDZCOHQRWOFLI-UHFFFAOYSA-N 2 2 291.399 0.510 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000598593887 361453647 /nfs/dbraw/zinc/45/36/47/361453647.db2.gz WLNZZZQYHGATMB-CABCVRRESA-N 2 2 295.427 0.941 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000598593887 361453653 /nfs/dbraw/zinc/45/36/53/361453653.db2.gz WLNZZZQYHGATMB-CABCVRRESA-N 2 2 295.427 0.941 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000598729563 361500099 /nfs/dbraw/zinc/50/00/99/361500099.db2.gz KVTMGCUWPSINJG-UONOGXRCSA-N 2 2 283.416 0.724 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000598729563 361500108 /nfs/dbraw/zinc/50/01/08/361500108.db2.gz KVTMGCUWPSINJG-UONOGXRCSA-N 2 2 283.416 0.724 20 30 CCEDLP C[N@H+](C[C@H](O)C[NH2+]CCOc1ccc(C#N)cc1)C1CC1 ZINC000564855452 291307533 /nfs/dbraw/zinc/30/75/33/291307533.db2.gz XOCZEWFTZXBLJV-OAHLLOKOSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@@H+](C[C@H](O)C[NH2+]CCOc1ccc(C#N)cc1)C1CC1 ZINC000564855452 291307535 /nfs/dbraw/zinc/30/75/35/291307535.db2.gz XOCZEWFTZXBLJV-OAHLLOKOSA-N 2 2 289.379 0.982 20 30 CCEDLP CC#CC[NH2+]Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459895 412805483 /nfs/dbraw/zinc/80/54/83/412805483.db2.gz ZWMPQBUGFIBUDJ-UHFFFAOYSA-N 2 2 257.297 0.268 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000287396941 388852173 /nfs/dbraw/zinc/85/21/73/388852173.db2.gz BGVNSCBIEVRPRC-UHFFFAOYSA-N 2 2 260.341 0.510 20 30 CCEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000329801953 389203232 /nfs/dbraw/zinc/20/32/32/389203232.db2.gz JZLXUHATRLLHLM-BNOWGMLFSA-N 2 2 296.415 0.303 20 30 CCEDLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000329801953 389203234 /nfs/dbraw/zinc/20/32/34/389203234.db2.gz JZLXUHATRLLHLM-BNOWGMLFSA-N 2 2 296.415 0.303 20 30 CCEDLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000329801953 389203236 /nfs/dbraw/zinc/20/32/36/389203236.db2.gz JZLXUHATRLLHLM-BNOWGMLFSA-N 2 2 296.415 0.303 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247947602 389242953 /nfs/dbraw/zinc/24/29/53/389242953.db2.gz DRCKCNNXAQKYDP-QWHCGFSZSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247947602 389242956 /nfs/dbraw/zinc/24/29/56/389242956.db2.gz DRCKCNNXAQKYDP-QWHCGFSZSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247947602 389242957 /nfs/dbraw/zinc/24/29/57/389242957.db2.gz DRCKCNNXAQKYDP-QWHCGFSZSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247947602 389242961 /nfs/dbraw/zinc/24/29/61/389242961.db2.gz DRCKCNNXAQKYDP-QWHCGFSZSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245455325 389208002 /nfs/dbraw/zinc/20/80/02/389208002.db2.gz SKZPHMFIGZSLDH-OLZOCXBDSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245455325 389208006 /nfs/dbraw/zinc/20/80/06/389208006.db2.gz SKZPHMFIGZSLDH-OLZOCXBDSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245455325 389208007 /nfs/dbraw/zinc/20/80/07/389208007.db2.gz SKZPHMFIGZSLDH-OLZOCXBDSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245455325 389208010 /nfs/dbraw/zinc/20/80/10/389208010.db2.gz SKZPHMFIGZSLDH-OLZOCXBDSA-N 2 2 296.415 0.660 20 30 CCEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1ccon1 ZINC000261792760 389276462 /nfs/dbraw/zinc/27/64/62/389276462.db2.gz QOVGKTVGPOTBGL-GFCCVEGCSA-N 2 2 281.360 0.012 20 30 CCEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1ccon1 ZINC000261792760 389276465 /nfs/dbraw/zinc/27/64/65/389276465.db2.gz QOVGKTVGPOTBGL-GFCCVEGCSA-N 2 2 281.360 0.012 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158503129 389345034 /nfs/dbraw/zinc/34/50/34/389345034.db2.gz DRCKCNNXAQKYDP-OLZOCXBDSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158503129 389345040 /nfs/dbraw/zinc/34/50/40/389345040.db2.gz DRCKCNNXAQKYDP-OLZOCXBDSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158503129 389345044 /nfs/dbraw/zinc/34/50/44/389345044.db2.gz DRCKCNNXAQKYDP-OLZOCXBDSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158503129 389345049 /nfs/dbraw/zinc/34/50/49/389345049.db2.gz DRCKCNNXAQKYDP-OLZOCXBDSA-N 2 2 251.374 0.705 20 30 CCEDLP C[C@H](CCC#N)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000411222303 389421522 /nfs/dbraw/zinc/42/15/22/389421522.db2.gz IOAQFIIVPQSSKT-CQSZACIVSA-N 2 2 278.400 0.919 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000163322719 389426792 /nfs/dbraw/zinc/42/67/92/389426792.db2.gz HUEGXOJAFQYLTB-HNNXBMFYSA-N 2 2 294.443 0.391 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000163322719 389426796 /nfs/dbraw/zinc/42/67/96/389426796.db2.gz HUEGXOJAFQYLTB-HNNXBMFYSA-N 2 2 294.443 0.391 20 30 CCEDLP C#CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000274161316 389492097 /nfs/dbraw/zinc/49/20/97/389492097.db2.gz UXNXMAHAROVEBL-UHFFFAOYSA-N 2 2 285.395 0.826 20 30 CCEDLP C#CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000274161316 389492101 /nfs/dbraw/zinc/49/21/01/389492101.db2.gz UXNXMAHAROVEBL-UHFFFAOYSA-N 2 2 285.395 0.826 20 30 CCEDLP C=CC[N@@H+](C)CCN(CC)C[C@@H](O)C[NH+]1CCOCC1 ZINC000411639170 389440344 /nfs/dbraw/zinc/44/03/44/389440344.db2.gz INYUSKXOENXOCF-OAHLLOKOSA-N 2 2 285.432 0.119 20 30 CCEDLP C=CC[N@H+](C)CCN(CC)C[C@@H](O)C[NH+]1CCOCC1 ZINC000411639170 389440346 /nfs/dbraw/zinc/44/03/46/389440346.db2.gz INYUSKXOENXOCF-OAHLLOKOSA-N 2 2 285.432 0.119 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430974398 389842306 /nfs/dbraw/zinc/84/23/06/389842306.db2.gz ZESVKVAHZJHEQJ-DCAQKATOSA-N 2 2 268.361 0.056 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430974398 389842310 /nfs/dbraw/zinc/84/23/10/389842310.db2.gz ZESVKVAHZJHEQJ-DCAQKATOSA-N 2 2 268.361 0.056 20 30 CCEDLP [NH2+]=C(NCC[N@@H+]1CCCOCC1)N1CCCCCC1 ZINC000187856465 260061967 /nfs/dbraw/zinc/06/19/67/260061967.db2.gz QEELNZJCQGXLEJ-UHFFFAOYSA-N 2 2 268.405 0.899 20 30 CCEDLP [NH2+]=C(NCC[N@H+]1CCCOCC1)N1CCCCCC1 ZINC000187856465 260061968 /nfs/dbraw/zinc/06/19/68/260061968.db2.gz QEELNZJCQGXLEJ-UHFFFAOYSA-N 2 2 268.405 0.899 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000649353881 390604184 /nfs/dbraw/zinc/60/41/84/390604184.db2.gz BLWVEXNNZONJEX-KGLIPLIRSA-N 2 2 281.400 0.162 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000649353881 390604186 /nfs/dbraw/zinc/60/41/86/390604186.db2.gz BLWVEXNNZONJEX-KGLIPLIRSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918006 397389962 /nfs/dbraw/zinc/38/99/62/397389962.db2.gz CBAIXBZIQSAFDB-STQMWFEESA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918006 397389966 /nfs/dbraw/zinc/38/99/66/397389966.db2.gz CBAIXBZIQSAFDB-STQMWFEESA-N 2 2 251.374 0.753 20 30 CCEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000549761061 286097938 /nfs/dbraw/zinc/09/79/38/286097938.db2.gz BSBHYMONZULXKA-NSHDSACASA-N 2 2 281.323 0.976 20 30 CCEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000662167851 414695256 /nfs/dbraw/zinc/69/52/56/414695256.db2.gz LNEDAFJTZLKTTG-CYBMUJFWSA-N 2 2 293.367 0.060 20 30 CCEDLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC1(C#N)CCC1 ZINC000337242690 262439796 /nfs/dbraw/zinc/43/97/96/262439796.db2.gz HJOVIKDKLLSPDY-UHFFFAOYSA-N 2 2 278.400 0.967 20 30 CCEDLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC1(C#N)CCC1 ZINC000337242690 262439798 /nfs/dbraw/zinc/43/97/98/262439798.db2.gz HJOVIKDKLLSPDY-UHFFFAOYSA-N 2 2 278.400 0.967 20 30 CCEDLP CC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000330402416 263929146 /nfs/dbraw/zinc/92/91/46/263929146.db2.gz LDYBKEUVMNJMAV-CYBMUJFWSA-N 2 2 298.431 0.695 20 30 CCEDLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000330816722 264046440 /nfs/dbraw/zinc/04/64/40/264046440.db2.gz MVYZCXFXIDLJMA-LBPRGKRZSA-N 2 2 291.399 0.698 20 30 CCEDLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000330816722 264046442 /nfs/dbraw/zinc/04/64/42/264046442.db2.gz MVYZCXFXIDLJMA-LBPRGKRZSA-N 2 2 291.399 0.698 20 30 CCEDLP Cn1cc[nH+]c1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000331163536 264144399 /nfs/dbraw/zinc/14/43/99/264144399.db2.gz LRVBJINRLXOFAV-LLVKDONJSA-N 2 2 265.361 0.718 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579979 328311305 /nfs/dbraw/zinc/31/13/05/328311305.db2.gz JZCJGBWNKXHRRP-VXGBXAGGSA-N 2 2 262.357 0.900 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579979 328311307 /nfs/dbraw/zinc/31/13/07/328311307.db2.gz JZCJGBWNKXHRRP-VXGBXAGGSA-N 2 2 262.357 0.900 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261592687 327112371 /nfs/dbraw/zinc/11/23/71/327112371.db2.gz MNCQFSZVCKEEBE-KGLIPLIRSA-N 2 2 263.385 0.871 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261592687 327112372 /nfs/dbraw/zinc/11/23/72/327112372.db2.gz MNCQFSZVCKEEBE-KGLIPLIRSA-N 2 2 263.385 0.871 20 30 CCEDLP C=CCOCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000360000106 329069452 /nfs/dbraw/zinc/06/94/52/329069452.db2.gz QJTRMTFXDBYELP-UHFFFAOYSA-N 2 2 297.443 0.575 20 30 CCEDLP C=CCOCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000360000106 329069453 /nfs/dbraw/zinc/06/94/53/329069453.db2.gz QJTRMTFXDBYELP-UHFFFAOYSA-N 2 2 297.443 0.575 20 30 CCEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCN[C@H]2C(=O)OCC)CC1 ZINC000422979368 330162620 /nfs/dbraw/zinc/16/26/20/330162620.db2.gz MJYVOOSHYXFICM-HUUCEWRRSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CCCOCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423018596 330165483 /nfs/dbraw/zinc/16/54/83/330165483.db2.gz ZJLYCXGKYMJTMX-UONOGXRCSA-N 2 2 254.374 0.936 20 30 CCEDLP C=CC[C@H](CO)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423019892 330165699 /nfs/dbraw/zinc/16/56/99/330165699.db2.gz XRRZUFFLKRRWPB-UBHSHLNASA-N 2 2 254.374 0.528 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000490739911 332110505 /nfs/dbraw/zinc/11/05/05/332110505.db2.gz HRCJYXBSEJGPOD-GASCZTMLSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000490739911 332110506 /nfs/dbraw/zinc/11/05/06/332110506.db2.gz HRCJYXBSEJGPOD-GASCZTMLSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)CCC)CC1 ZINC000490839430 332119448 /nfs/dbraw/zinc/11/94/48/332119448.db2.gz INEJHUVUWSOJNJ-AWEZNQCLSA-N 2 2 265.401 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)CCC)CC1 ZINC000490839430 332119449 /nfs/dbraw/zinc/11/94/49/332119449.db2.gz INEJHUVUWSOJNJ-AWEZNQCLSA-N 2 2 265.401 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000490853460 332120881 /nfs/dbraw/zinc/12/08/81/332120881.db2.gz RKDNPMGCMWBRRE-OKILXGFUSA-N 2 2 275.396 0.352 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000490853460 332120883 /nfs/dbraw/zinc/12/08/83/332120883.db2.gz RKDNPMGCMWBRRE-OKILXGFUSA-N 2 2 275.396 0.352 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H]2C)CC1 ZINC000490865700 332121987 /nfs/dbraw/zinc/12/19/87/332121987.db2.gz GLTIPVLTXRWESS-ZIAGYGMSSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H]2C)CC1 ZINC000490865700 332121988 /nfs/dbraw/zinc/12/19/88/332121988.db2.gz GLTIPVLTXRWESS-ZIAGYGMSSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@H](C)CC)CC1 ZINC000490948574 332132004 /nfs/dbraw/zinc/13/20/04/332132004.db2.gz FIMQDGFVHWTDAE-KBPBESRZSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CCC2CC2)CC1 ZINC000490950158 332132292 /nfs/dbraw/zinc/13/22/92/332132292.db2.gz OXRPWZQITBPUKE-UHFFFAOYSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CCC2CC2)CC1 ZINC000490950158 332132293 /nfs/dbraw/zinc/13/22/93/332132293.db2.gz OXRPWZQITBPUKE-UHFFFAOYSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(CCC)CCOC2)CC1 ZINC000491209869 332166493 /nfs/dbraw/zinc/16/64/93/332166493.db2.gz MXRYCGRLSFZSFK-INIZCTEOSA-N 2 2 293.411 0.313 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000491308036 332187186 /nfs/dbraw/zinc/18/71/86/332187186.db2.gz SCDXBNWGJLSQBT-UHFFFAOYSA-N 2 2 293.411 0.313 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000491308036 332187188 /nfs/dbraw/zinc/18/71/88/332187188.db2.gz SCDXBNWGJLSQBT-UHFFFAOYSA-N 2 2 293.411 0.313 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000491506118 332225084 /nfs/dbraw/zinc/22/50/84/332225084.db2.gz OLHXCSUXPQASRL-MRXNPFEDSA-N 2 2 287.407 0.888 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CC2(C)C)CC1 ZINC000491617152 332244080 /nfs/dbraw/zinc/24/40/80/332244080.db2.gz KBOMEFRUFYEOAK-ZDUSSCGKSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CC2(C)C)CC1 ZINC000491617152 332244081 /nfs/dbraw/zinc/24/40/81/332244081.db2.gz KBOMEFRUFYEOAK-ZDUSSCGKSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000491631666 332254267 /nfs/dbraw/zinc/25/42/67/332254267.db2.gz YSTJMAGQWHUGSN-DZGCQCFKSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000491631666 332254268 /nfs/dbraw/zinc/25/42/68/332254268.db2.gz YSTJMAGQWHUGSN-DZGCQCFKSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000491631666 332254269 /nfs/dbraw/zinc/25/42/69/332254269.db2.gz YSTJMAGQWHUGSN-DZGCQCFKSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000491631666 332254270 /nfs/dbraw/zinc/25/42/70/332254270.db2.gz YSTJMAGQWHUGSN-DZGCQCFKSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000491786001 332348734 /nfs/dbraw/zinc/34/87/34/332348734.db2.gz SWKNRDNIOSKEHO-INIZCTEOSA-N 2 2 287.407 0.888 20 30 CCEDLP C#CC[NH+](CC#C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000174047689 332989833 /nfs/dbraw/zinc/98/98/33/332989833.db2.gz UJPADXLWAWMRAS-UHFFFAOYSA-N 2 2 275.396 0.544 20 30 CCEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC#N)[C@@H](C)C1 ZINC000245412887 334190762 /nfs/dbraw/zinc/19/07/62/334190762.db2.gz AZTZNBZSULNZNK-NWDGAFQWSA-N 2 2 252.362 0.288 20 30 CCEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC#N)[C@@H](C)C1 ZINC000245412887 334190763 /nfs/dbraw/zinc/19/07/63/334190763.db2.gz AZTZNBZSULNZNK-NWDGAFQWSA-N 2 2 252.362 0.288 20 30 CCEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC#N)[C@@H](C)C1 ZINC000245412887 334190764 /nfs/dbraw/zinc/19/07/64/334190764.db2.gz AZTZNBZSULNZNK-NWDGAFQWSA-N 2 2 252.362 0.288 20 30 CCEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)[C@@H](C)C1 ZINC000245412887 334190765 /nfs/dbraw/zinc/19/07/65/334190765.db2.gz AZTZNBZSULNZNK-NWDGAFQWSA-N 2 2 252.362 0.288 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH2+]C)C2)C1=O ZINC000580774808 335265490 /nfs/dbraw/zinc/26/54/90/335265490.db2.gz WHAYSWKUBJTAIU-OLZOCXBDSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH2+]C)C2)C1=O ZINC000580774808 335265492 /nfs/dbraw/zinc/26/54/92/335265492.db2.gz WHAYSWKUBJTAIU-OLZOCXBDSA-N 2 2 251.374 0.705 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000581833832 336149784 /nfs/dbraw/zinc/14/97/84/336149784.db2.gz YFSLOKTUJJCOGM-UHFFFAOYSA-N 2 2 264.373 0.432 20 30 CCEDLP C=CCN1CC[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C1=O ZINC000352812100 526513449 /nfs/dbraw/zinc/51/34/49/526513449.db2.gz YVEWIDISUQRYSS-AWEZNQCLSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000667492000 545149084 /nfs/dbraw/zinc/14/90/84/545149084.db2.gz QLPZVXRMDAUCHV-UHFFFAOYSA-N 2 2 291.399 0.148 20 30 CCEDLP C=C[C@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668640719 545184965 /nfs/dbraw/zinc/18/49/65/545184965.db2.gz WTXLZHQTJLLMON-WFASDCNBSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C[C@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668640719 545184966 /nfs/dbraw/zinc/18/49/66/545184966.db2.gz WTXLZHQTJLLMON-WFASDCNBSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C[C@@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618100 545184173 /nfs/dbraw/zinc/18/41/73/545184173.db2.gz OBNGEBMVHKKXBO-ZIAGYGMSSA-N 2 2 281.400 0.160 20 30 CCEDLP C=C[C@@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618100 545184174 /nfs/dbraw/zinc/18/41/74/545184174.db2.gz OBNGEBMVHKKXBO-ZIAGYGMSSA-N 2 2 281.400 0.160 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000756131320 581657415 /nfs/dbraw/zinc/65/74/15/581657415.db2.gz UPITVBFDICTKEP-KBPBESRZSA-N 2 2 286.379 0.834 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000756131320 581657420 /nfs/dbraw/zinc/65/74/20/581657420.db2.gz UPITVBFDICTKEP-KBPBESRZSA-N 2 2 286.379 0.834 20 30 CCEDLP C[N@@H+](CC(=O)NCCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000741252678 581740907 /nfs/dbraw/zinc/74/09/07/581740907.db2.gz SEKWIQUWBPBMCA-GFCCVEGCSA-N 2 2 252.362 0.290 20 30 CCEDLP C[N@H+](CC(=O)NCCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000741252678 581740909 /nfs/dbraw/zinc/74/09/09/581740909.db2.gz SEKWIQUWBPBMCA-GFCCVEGCSA-N 2 2 252.362 0.290 20 30 CCEDLP C[NH+](CC(=O)NCCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000741252678 581740913 /nfs/dbraw/zinc/74/09/13/581740913.db2.gz SEKWIQUWBPBMCA-GFCCVEGCSA-N 2 2 252.362 0.290 20 30 CCEDLP C[NH+](CC(=O)NCCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741252678 581740915 /nfs/dbraw/zinc/74/09/15/581740915.db2.gz SEKWIQUWBPBMCA-GFCCVEGCSA-N 2 2 252.362 0.290 20 30 CCEDLP C#CCO[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415195 612996199 /nfs/dbraw/zinc/99/61/99/612996199.db2.gz UDXUSWRAJYCBTJ-ZDUSSCGKSA-N 2 2 269.389 0.024 20 30 CCEDLP C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415195 612996201 /nfs/dbraw/zinc/99/62/01/612996201.db2.gz UDXUSWRAJYCBTJ-ZDUSSCGKSA-N 2 2 269.389 0.024 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000135546558 613009289 /nfs/dbraw/zinc/00/92/89/613009289.db2.gz WDNJVKBJPGJEHH-UHFFFAOYSA-N 2 2 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ZINC000990119291 633452835 /nfs/dbraw/zinc/45/28/35/633452835.db2.gz BQJTWOYLYSCKDG-SQWLQELKSA-N 2 2 291.395 0.063 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994510088 637956708 /nfs/dbraw/zinc/95/67/08/637956708.db2.gz RVIFVFPBFRSPER-UONOGXRCSA-N 2 2 274.368 0.876 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994510088 637956713 /nfs/dbraw/zinc/95/67/13/637956713.db2.gz RVIFVFPBFRSPER-UONOGXRCSA-N 2 2 274.368 0.876 20 30 CCEDLP C#C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000820417378 641504088 /nfs/dbraw/zinc/50/40/88/641504088.db2.gz WCNSCJSLUPSQSY-HIFRSBDPSA-N 2 2 292.427 0.818 20 30 CCEDLP C#C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000820417378 641504091 /nfs/dbraw/zinc/50/40/91/641504091.db2.gz WCNSCJSLUPSQSY-HIFRSBDPSA-N 2 2 292.427 0.818 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016108313 650682465 /nfs/dbraw/zinc/68/24/65/650682465.db2.gz TVZWGWANBNTDQD-GFCCVEGCSA-N 2 2 260.341 0.474 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016108313 650682466 /nfs/dbraw/zinc/68/24/66/650682466.db2.gz TVZWGWANBNTDQD-GFCCVEGCSA-N 2 2 260.341 0.474 20 30 CCEDLP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000834500564 642589216 /nfs/dbraw/zinc/58/92/16/642589216.db2.gz URDOZKCCJXILJD-GWCFXTLKSA-N 2 2 282.307 0.109 20 30 CCEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001016947092 650773325 /nfs/dbraw/zinc/77/33/25/650773325.db2.gz JSNYRTCYFVHLOJ-AWEZNQCLSA-N 2 2 286.379 0.865 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001018174380 650846918 /nfs/dbraw/zinc/84/69/18/650846918.db2.gz BKESGMQCUPWLEC-SOUVJXGZSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001018174380 650846920 /nfs/dbraw/zinc/84/69/20/650846920.db2.gz BKESGMQCUPWLEC-SOUVJXGZSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001018174380 650846921 /nfs/dbraw/zinc/84/69/21/650846921.db2.gz BKESGMQCUPWLEC-SOUVJXGZSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001018174380 650846922 /nfs/dbraw/zinc/84/69/22/650846922.db2.gz BKESGMQCUPWLEC-SOUVJXGZSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001019602560 650992142 /nfs/dbraw/zinc/99/21/42/650992142.db2.gz GDDJQOZBROZRRB-ZDUSSCGKSA-N 2 2 295.346 0.705 20 30 CCEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000865528873 645378494 /nfs/dbraw/zinc/37/84/94/645378494.db2.gz OKIMGGYOUBKEKK-INIZCTEOSA-N 2 2 288.395 0.780 20 30 CCEDLP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000865528873 645378495 /nfs/dbraw/zinc/37/84/95/645378495.db2.gz OKIMGGYOUBKEKK-INIZCTEOSA-N 2 2 288.395 0.780 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001020286213 651055973 /nfs/dbraw/zinc/05/59/73/651055973.db2.gz WZDGGBMARIIASK-JOCQHMNTSA-N 2 2 274.368 0.797 20 30 CCEDLP C#CCC[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266329890 790520605 /nfs/dbraw/zinc/52/06/05/790520605.db2.gz LQJLUQWYCVRBNP-ZDUSSCGKSA-N 2 2 262.357 0.906 20 30 CCEDLP C#CCC[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266329890 790520614 /nfs/dbraw/zinc/52/06/14/790520614.db2.gz LQJLUQWYCVRBNP-ZDUSSCGKSA-N 2 2 262.357 0.906 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266610527 791022286 /nfs/dbraw/zinc/02/22/86/791022286.db2.gz YFSPYPQGDSSLFW-JOCQHMNTSA-N 2 2 260.341 0.533 20 30 CCEDLP C=CC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266811522 791256310 /nfs/dbraw/zinc/25/63/10/791256310.db2.gz PQAMUVIUMUJFTL-GFCCVEGCSA-N 2 2 262.357 0.966 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001267027029 791460329 /nfs/dbraw/zinc/46/03/29/791460329.db2.gz RNWYZAZOEJJEFA-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CCC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528735 791510348 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C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153897558 800688537 /nfs/dbraw/zinc/68/85/37/800688537.db2.gz QTIMFKIZPCSLIX-JHJVBQTASA-N 2 2 274.368 0.973 20 30 CCEDLP N#Cc1ncc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203494 801591335 /nfs/dbraw/zinc/59/13/35/801591335.db2.gz AVQHFWLDRQICBU-SSDOTTSWSA-N 2 2 278.703 0.049 20 30 CCEDLP N#Cc1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158257986 801606927 /nfs/dbraw/zinc/60/69/27/801606927.db2.gz NGADDGIBUHVZJZ-ZDUSSCGKSA-N 2 2 271.368 0.955 20 30 CCEDLP N#Cc1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158257986 801606931 /nfs/dbraw/zinc/60/69/31/801606931.db2.gz NGADDGIBUHVZJZ-ZDUSSCGKSA-N 2 2 271.368 0.955 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001278315514 806946440 /nfs/dbraw/zinc/94/64/40/806946440.db2.gz MDGBOPWWPJBIJR-DZGCQCFKSA-N 2 2 288.395 0.955 20 30 CCEDLP N#CCN(Cc1ccccc1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160667612 801994730 /nfs/dbraw/zinc/99/47/30/801994730.db2.gz KEEISSVFIQOTDP-UHFFFAOYSA-N 2 2 272.352 0.620 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160840408 802026596 /nfs/dbraw/zinc/02/65/96/802026596.db2.gz ZWDWGMVUIQTDRF-UHFFFAOYSA-N 2 2 263.341 0.915 20 30 CCEDLP N#C[C@@H]1CN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCO1 ZINC001160877810 802039053 /nfs/dbraw/zinc/03/90/53/802039053.db2.gz CTSUAEWVBBBRIP-OLZOCXBDSA-N 2 2 274.324 0.010 20 30 CCEDLP Cc1[nH+]c(NCCN2CC[NH2+]CC2=O)ccc1CC#N ZINC001161025351 802068745 /nfs/dbraw/zinc/06/87/45/802068745.db2.gz SEQOWZODCZFOQJ-UHFFFAOYSA-N 2 2 273.340 0.300 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CCN(c2cc[nH+]c(OC)c2)CC1 ZINC001161305964 802122173 /nfs/dbraw/zinc/12/21/73/802122173.db2.gz DSCUROIIXSDOBS-HNNXBMFYSA-N 2 2 288.351 0.089 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323271 802127250 /nfs/dbraw/zinc/12/72/50/802127250.db2.gz HIZMWZWHGORBAI-LBPRGKRZSA-N 2 2 274.368 0.552 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323271 802127256 /nfs/dbraw/zinc/12/72/56/802127256.db2.gz HIZMWZWHGORBAI-LBPRGKRZSA-N 2 2 274.368 0.552 20 30 CCEDLP COCC#CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076988 803062537 /nfs/dbraw/zinc/06/25/37/803062537.db2.gz ZRAZXENCFQXMJU-UHFFFAOYSA-N 2 2 290.367 0.114 20 30 CCEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)nc1 ZINC001205688592 803156644 /nfs/dbraw/zinc/15/66/44/803156644.db2.gz JKECJCLGPDWCEV-CQSZACIVSA-N 2 2 260.341 0.629 20 30 CCEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)nc1 ZINC001205688592 803156649 /nfs/dbraw/zinc/15/66/49/803156649.db2.gz JKECJCLGPDWCEV-CQSZACIVSA-N 2 2 260.341 0.629 20 30 CCEDLP N#C[C@H]1C[NH2+]CCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001210122001 803639021 /nfs/dbraw/zinc/63/90/21/803639021.db2.gz OMFNHNLIIWFFLE-KRWDZBQOSA-N 2 2 299.422 0.389 20 30 CCEDLP N#C[C@H]1CC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001220094778 804497711 /nfs/dbraw/zinc/49/77/11/804497711.db2.gz IGRGQVIZUXQEKN-SKENRDBWSA-N 2 2 262.357 0.407 20 30 CCEDLP N#Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1F ZINC001220449078 804607198 /nfs/dbraw/zinc/60/71/98/804607198.db2.gz IXLIBJSKBDJFEW-WFASDCNBSA-N 2 2 288.326 0.265 20 30 CCEDLP N#Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1F ZINC001220449076 804607798 /nfs/dbraw/zinc/60/77/98/804607798.db2.gz IXLIBJSKBDJFEW-IUODEOHRSA-N 2 2 288.326 0.265 20 30 CCEDLP N#CCC[NH2+]CC(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220778912 804666147 /nfs/dbraw/zinc/66/61/47/804666147.db2.gz HVCYKWTZYFGPBO-OLZOCXBDSA-N 2 2 250.346 0.410 20 30 CCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164267 804738823 /nfs/dbraw/zinc/73/88/23/804738823.db2.gz AZOWWDHZQDXQFF-MCIONIFRSA-N 2 2 292.383 0.399 20 30 CCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164267 804738826 /nfs/dbraw/zinc/73/88/26/804738826.db2.gz AZOWWDHZQDXQFF-MCIONIFRSA-N 2 2 292.383 0.399 20 30 CCEDLP C#CC1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCCCC1 ZINC001221275305 804761773 /nfs/dbraw/zinc/76/17/73/804761773.db2.gz ADPGYCKFUIQREZ-JMSVASOKSA-N 2 2 261.369 0.661 20 30 CCEDLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC)[NH+](C)C ZINC001276957206 805014949 /nfs/dbraw/zinc/01/49/49/805014949.db2.gz QUVWERMZRVXZLU-UONOGXRCSA-N 2 2 281.400 0.167 20 30 CCEDLP CC#CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225677281 805150589 /nfs/dbraw/zinc/15/05/89/805150589.db2.gz UJBASGYSDADHQF-UHFFFAOYSA-N 2 2 274.368 0.735 20 30 CCEDLP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001278403302 807074956 /nfs/dbraw/zinc/07/49/56/807074956.db2.gz HUFQVWWVKYPOHH-DGCLKSJQSA-N 2 2 260.341 0.555 20 30 CCEDLP C=C[C@](C)(O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001245985376 807106940 /nfs/dbraw/zinc/10/69/40/807106940.db2.gz RNRORCGDBHNMIL-FZMZJTMJSA-N 2 2 272.389 0.962 20 30 CCEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc(C#N)nc1 ZINC001253410862 808063801 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C=CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001318624610 909839048 /nfs/dbraw/zinc/83/90/48/909839048.db2.gz RNRZZAWYROWKKN-CYBMUJFWSA-N 2 2 281.400 0.522 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001319591719 910216202 /nfs/dbraw/zinc/21/62/02/910216202.db2.gz DRUPAMQVKFRVSS-CYBMUJFWSA-N 2 2 262.357 0.733 20 30 CCEDLP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001322191554 911702450 /nfs/dbraw/zinc/70/24/50/911702450.db2.gz BZRAHUGTNLWBEI-CHWSQXEVSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001322191554 911702462 /nfs/dbraw/zinc/70/24/62/911702462.db2.gz BZRAHUGTNLWBEI-CHWSQXEVSA-N 2 2 274.368 0.515 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+]CCCn2cc[nH+]c2)CCOCC1 ZINC001329222165 915755438 /nfs/dbraw/zinc/75/54/38/915755438.db2.gz KEZPISKBVDNJTK-CQSZACIVSA-N 2 2 292.383 0.934 20 30 CCEDLP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001329474739 915947711 /nfs/dbraw/zinc/94/77/11/915947711.db2.gz NJFRYJKDYIASAP-CHWSQXEVSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001329474739 915947724 /nfs/dbraw/zinc/94/77/24/915947724.db2.gz NJFRYJKDYIASAP-CHWSQXEVSA-N 2 2 274.368 0.515 20 30 CCEDLP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001330054524 916384511 /nfs/dbraw/zinc/38/45/11/916384511.db2.gz PFPZBPNPVSKLSK-GFCCVEGCSA-N 2 2 292.383 0.591 20 30 CCEDLP C#CC[NH2+][C@H](C)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001331455307 917344877 /nfs/dbraw/zinc/34/48/77/917344877.db2.gz MCVLSISTRBHZEU-CYBMUJFWSA-N 2 2 288.395 0.832 20 30 CCEDLP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332063198 917832238 /nfs/dbraw/zinc/83/22/38/917832238.db2.gz FTCRMOLCXPUECN-UONOGXRCSA-N 2 2 292.383 0.665 20 30 CCEDLP C#CCC[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001333103191 918653207 /nfs/dbraw/zinc/65/32/07/918653207.db2.gz TWOZWEANVRODOP-UHFFFAOYSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340056056 921936859 /nfs/dbraw/zinc/93/68/59/921936859.db2.gz GUMMRNYZDBEYKX-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340056056 921936870 /nfs/dbraw/zinc/93/68/70/921936870.db2.gz GUMMRNYZDBEYKX-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001445472232 930141655 /nfs/dbraw/zinc/14/16/55/930141655.db2.gz GNIWDONGTCTUGA-SNVBAGLBSA-N 2 2 270.764 0.809 20 30 CCEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000602989494 362924589 /nfs/dbraw/zinc/92/45/89/362924589.db2.gz QPTQSMZOXDKWNS-OLZOCXBDSA-N 2 2 264.373 0.384 20 30 CCEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000602989494 362924595 /nfs/dbraw/zinc/92/45/95/362924595.db2.gz QPTQSMZOXDKWNS-OLZOCXBDSA-N 2 2 264.373 0.384 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000226043731 352018283 /nfs/dbraw/zinc/01/82/83/352018283.db2.gz XYRMLWGVFZQFCD-HUUCEWRRSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000226043731 352018287 /nfs/dbraw/zinc/01/82/87/352018287.db2.gz XYRMLWGVFZQFCD-HUUCEWRRSA-N 2 2 289.379 0.982 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266891604 352730676 /nfs/dbraw/zinc/73/06/76/352730676.db2.gz DCLFYPHKXKZWSV-LBPRGKRZSA-N 2 2 277.372 0.233 20 30 CCEDLP Cc1cc(NCC[N@@H+]2CCCOCC2)c(C#N)c[nH+]1 ZINC000563019822 291182461 /nfs/dbraw/zinc/18/24/61/291182461.db2.gz XNBMNLFQIVHKDS-UHFFFAOYSA-N 2 2 260.341 0.818 20 30 CCEDLP Cc1cc(NCC[N@H+]2CCCOCC2)c(C#N)c[nH+]1 ZINC000563019822 291182462 /nfs/dbraw/zinc/18/24/62/291182462.db2.gz XNBMNLFQIVHKDS-UHFFFAOYSA-N 2 2 260.341 0.818 20 30 CCEDLP C[C@H](C[NH+]1CCCCC1)NC[C@H](O)C[N@H+](C)CCC#N ZINC000591726070 359647991 /nfs/dbraw/zinc/64/79/91/359647991.db2.gz HAAIKAKYZROYAJ-CABCVRRESA-N 2 2 282.432 0.657 20 30 CCEDLP C[C@H](C[NH+]1CCCCC1)NC[C@H](O)C[N@@H+](C)CCC#N ZINC000591726070 359647996 /nfs/dbraw/zinc/64/79/96/359647996.db2.gz HAAIKAKYZROYAJ-CABCVRRESA-N 2 2 282.432 0.657 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)CCO1 ZINC000594436674 360305428 /nfs/dbraw/zinc/30/54/28/360305428.db2.gz FGOKDMGAHWNEFI-OLZOCXBDSA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)CCO1 ZINC000594436674 360305432 /nfs/dbraw/zinc/30/54/32/360305432.db2.gz FGOKDMGAHWNEFI-OLZOCXBDSA-N 2 2 282.388 0.235 20 30 CCEDLP C=CCCSCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000595269954 360469912 /nfs/dbraw/zinc/46/99/12/360469912.db2.gz AAKLNWLWYKJMHU-GFCCVEGCSA-N 2 2 286.445 0.580 20 30 CCEDLP C=CCCSCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000595269954 360469916 /nfs/dbraw/zinc/46/99/16/360469916.db2.gz AAKLNWLWYKJMHU-GFCCVEGCSA-N 2 2 286.445 0.580 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000491692164 332288824 /nfs/dbraw/zinc/28/88/24/332288824.db2.gz QMCUJJUXEKPVOA-CYBMUJFWSA-N 2 2 251.374 0.447 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000491692164 332288827 /nfs/dbraw/zinc/28/88/27/332288827.db2.gz QMCUJJUXEKPVOA-CYBMUJFWSA-N 2 2 251.374 0.447 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)CO1 ZINC000595939393 360715353 /nfs/dbraw/zinc/71/53/53/360715353.db2.gz HZLJBRXTQOEVEH-MGPQQGTHSA-N 2 2 296.415 0.623 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)CO1 ZINC000595939393 360715356 /nfs/dbraw/zinc/71/53/56/360715356.db2.gz HZLJBRXTQOEVEH-MGPQQGTHSA-N 2 2 296.415 0.623 20 30 CCEDLP C[C@H](CC#N)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000597215480 361032929 /nfs/dbraw/zinc/03/29/29/361032929.db2.gz CREYSFWHOPDPCC-OLZOCXBDSA-N 2 2 278.400 0.821 20 30 CCEDLP C[C@H](CC#N)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000597215480 361032932 /nfs/dbraw/zinc/03/29/32/361032932.db2.gz CREYSFWHOPDPCC-OLZOCXBDSA-N 2 2 278.400 0.821 20 30 CCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598721159 361496069 /nfs/dbraw/zinc/49/60/69/361496069.db2.gz SRJMUNUPZGZVQS-OLZOCXBDSA-N 2 2 268.405 0.123 20 30 CCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598721159 361496072 /nfs/dbraw/zinc/49/60/72/361496072.db2.gz SRJMUNUPZGZVQS-OLZOCXBDSA-N 2 2 268.405 0.123 20 30 CCEDLP C=C[C@@H](O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194410 371944801 /nfs/dbraw/zinc/94/48/01/371944801.db2.gz RLCUFZPOYAZICB-GFCCVEGCSA-N 2 2 276.340 0.319 20 30 CCEDLP C=C[C@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722004 372169198 /nfs/dbraw/zinc/16/91/98/372169198.db2.gz IJQBVBSVBRUGQM-HZPDHXFCSA-N 2 2 276.380 0.760 20 30 CCEDLP C=C[C@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722004 372169203 /nfs/dbraw/zinc/16/92/03/372169203.db2.gz IJQBVBSVBRUGQM-HZPDHXFCSA-N 2 2 276.380 0.760 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000337131502 389046885 /nfs/dbraw/zinc/04/68/85/389046885.db2.gz ACEYLHNZAZZJOI-OLZOCXBDSA-N 2 2 251.374 0.657 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000337131502 389046888 /nfs/dbraw/zinc/04/68/88/389046888.db2.gz ACEYLHNZAZZJOI-OLZOCXBDSA-N 2 2 251.374 0.657 20 30 CCEDLP N#CCCOCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000339005395 389121579 /nfs/dbraw/zinc/12/15/79/389121579.db2.gz PGNMOCHLMYBBBZ-AWEZNQCLSA-N 2 2 267.373 0.571 20 30 CCEDLP N#CCCOCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000339005395 389121580 /nfs/dbraw/zinc/12/15/80/389121580.db2.gz PGNMOCHLMYBBBZ-AWEZNQCLSA-N 2 2 267.373 0.571 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000329784546 389200108 /nfs/dbraw/zinc/20/01/08/389200108.db2.gz WEBATNUUHRXVEX-UPJWGTAASA-N 2 2 284.404 0.303 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000329784546 389200111 /nfs/dbraw/zinc/20/01/11/389200111.db2.gz WEBATNUUHRXVEX-UPJWGTAASA-N 2 2 284.404 0.303 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000329784546 389200113 /nfs/dbraw/zinc/20/01/13/389200113.db2.gz WEBATNUUHRXVEX-UPJWGTAASA-N 2 2 284.404 0.303 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000329784546 389200115 /nfs/dbraw/zinc/20/01/15/389200115.db2.gz WEBATNUUHRXVEX-UPJWGTAASA-N 2 2 284.404 0.303 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CC)C2)CC1 ZINC000125810266 389167085 /nfs/dbraw/zinc/16/70/85/389167085.db2.gz RCYWSDJIUCYIQR-AWEZNQCLSA-N 2 2 263.385 0.496 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CC)C2)CC1 ZINC000125810266 389167087 /nfs/dbraw/zinc/16/70/87/389167087.db2.gz RCYWSDJIUCYIQR-AWEZNQCLSA-N 2 2 263.385 0.496 20 30 CCEDLP CC[N@@H+]1CCC[C@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000330559555 389241123 /nfs/dbraw/zinc/24/11/23/389241123.db2.gz HDJKKNXZGPAXTC-NSHDSACASA-N 2 2 265.361 0.908 20 30 CCEDLP CC[N@H+]1CCC[C@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000330559555 389241124 /nfs/dbraw/zinc/24/11/24/389241124.db2.gz HDJKKNXZGPAXTC-NSHDSACASA-N 2 2 265.361 0.908 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246140170 389224077 /nfs/dbraw/zinc/22/40/77/389224077.db2.gz KIDQLTIAFKUWSM-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246140170 389224080 /nfs/dbraw/zinc/22/40/80/389224080.db2.gz KIDQLTIAFKUWSM-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246140170 389224083 /nfs/dbraw/zinc/22/40/83/389224083.db2.gz KIDQLTIAFKUWSM-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246140170 389224085 /nfs/dbraw/zinc/22/40/85/389224085.db2.gz KIDQLTIAFKUWSM-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP CC#CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000155401311 389318931 /nfs/dbraw/zinc/31/89/31/389318931.db2.gz KJDWZZASNGEKNS-UHFFFAOYSA-N 2 2 263.385 0.640 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150857241 389274155 /nfs/dbraw/zinc/27/41/55/389274155.db2.gz XNXXOTBIHLAFSO-ZDUSSCGKSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150857241 389274158 /nfs/dbraw/zinc/27/41/58/389274158.db2.gz XNXXOTBIHLAFSO-ZDUSSCGKSA-N 2 2 294.399 0.416 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261965269 389279091 /nfs/dbraw/zinc/27/90/91/389279091.db2.gz LGODPCLSUZOJQD-JSGCOSHPSA-N 3 2 290.415 0.531 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261965269 389279092 /nfs/dbraw/zinc/27/90/92/389279092.db2.gz LGODPCLSUZOJQD-JSGCOSHPSA-N 3 2 290.415 0.531 20 30 CCEDLP CC[C@@H](C)NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000262677275 389292650 /nfs/dbraw/zinc/29/26/50/389292650.db2.gz ROGJAVHRTCMHLP-SECBINFHSA-N 2 2 252.366 0.689 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCc1c(C)nn(C)c1C ZINC000262785934 389294810 /nfs/dbraw/zinc/29/48/10/389294810.db2.gz JQEDRCHFGOVUGG-UHFFFAOYSA-N 2 2 289.387 0.599 20 30 CCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264062390 389304230 /nfs/dbraw/zinc/30/42/30/389304230.db2.gz DFGWISUVMLMRND-ZDUSSCGKSA-N 3 2 278.404 0.662 20 30 CCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264062390 389304231 /nfs/dbraw/zinc/30/42/31/389304231.db2.gz DFGWISUVMLMRND-ZDUSSCGKSA-N 3 2 278.404 0.662 20 30 CCEDLP COCCNC(=[NH2+])NCCn1c(C)[nH+]c2ccccc21 ZINC000264112043 389306686 /nfs/dbraw/zinc/30/66/86/389306686.db2.gz PADPRPJKLUJLJP-UHFFFAOYSA-N 2 2 275.356 0.895 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000160914267 389402067 /nfs/dbraw/zinc/40/20/67/389402067.db2.gz VXIYYTFHECDNNN-UHFFFAOYSA-N 2 2 289.383 0.642 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000334992688 389518783 /nfs/dbraw/zinc/51/87/83/389518783.db2.gz JHCIJYQTJGAXQY-ZFWWWQNUSA-N 2 2 263.385 0.849 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000334992688 389518787 /nfs/dbraw/zinc/51/87/87/389518787.db2.gz JHCIJYQTJGAXQY-ZFWWWQNUSA-N 2 2 263.385 0.849 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365377805 262362623 /nfs/dbraw/zinc/36/26/23/262362623.db2.gz IRCIHNKRARJGTM-OLZOCXBDSA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365377805 262362625 /nfs/dbraw/zinc/36/26/25/262362625.db2.gz IRCIHNKRARJGTM-OLZOCXBDSA-N 2 2 251.374 0.540 20 30 CCEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC#CCO ZINC000647526157 390832722 /nfs/dbraw/zinc/83/27/22/390832722.db2.gz USVQEMJKNDOROS-HNNXBMFYSA-N 2 2 262.353 0.065 20 30 CCEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC#CCO ZINC000647526157 390832725 /nfs/dbraw/zinc/83/27/25/390832725.db2.gz USVQEMJKNDOROS-HNNXBMFYSA-N 2 2 262.353 0.065 20 30 CCEDLP C=C(C)[C@@H](CO)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000653727751 412338536 /nfs/dbraw/zinc/33/85/36/412338536.db2.gz WWXOXJDXCUCIMJ-CYBMUJFWSA-N 2 2 256.390 0.748 20 30 CCEDLP C=CC[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000662673807 414739728 /nfs/dbraw/zinc/73/97/28/414739728.db2.gz RLHYHFYBPFUMJZ-OAHLLOKOSA-N 2 2 263.385 0.991 20 30 CCEDLP C=CC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662684284 414740968 /nfs/dbraw/zinc/74/09/68/414740968.db2.gz ZMFFKIRBMGZKNC-HIFRSBDPSA-N 2 2 281.400 0.522 20 30 CCEDLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000330046433 228025760 /nfs/dbraw/zinc/02/57/60/228025760.db2.gz GYRQYHSVSLXJTJ-GFCCVEGCSA-N 2 2 266.345 0.640 20 30 CCEDLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000330046433 228025763 /nfs/dbraw/zinc/02/57/63/228025763.db2.gz GYRQYHSVSLXJTJ-GFCCVEGCSA-N 2 2 266.345 0.640 20 30 CCEDLP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000264034864 262859348 /nfs/dbraw/zinc/85/93/48/262859348.db2.gz FXWYPXATQKQEQK-GFCCVEGCSA-N 2 2 266.345 0.275 20 30 CCEDLP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000264034864 262859350 /nfs/dbraw/zinc/85/93/50/262859350.db2.gz FXWYPXATQKQEQK-GFCCVEGCSA-N 2 2 266.345 0.275 20 30 CCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@H]2CNC(=O)O2)cc1 ZINC000282350362 263076220 /nfs/dbraw/zinc/07/62/20/263076220.db2.gz WSMICSNXZKATFO-GFCCVEGCSA-N 2 2 292.339 0.494 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071147285 264248010 /nfs/dbraw/zinc/24/80/10/264248010.db2.gz JFCLLZXUNHQZHR-ZDUSSCGKSA-N 2 2 251.374 0.728 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071147285 264248011 /nfs/dbraw/zinc/24/80/11/264248011.db2.gz JFCLLZXUNHQZHR-ZDUSSCGKSA-N 2 2 251.374 0.728 20 30 CCEDLP Cc1cc(NCC[NH+]2CCC(O)CC2)c(C#N)c[nH+]1 ZINC000399013768 267300015 /nfs/dbraw/zinc/30/00/15/267300015.db2.gz ZYIWBSDZMNQOQO-UHFFFAOYSA-N 2 2 260.341 0.552 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC000338262651 327974882 /nfs/dbraw/zinc/97/48/82/327974882.db2.gz SCZPOEMAUFGJRM-UHFFFAOYSA-N 2 2 296.459 0.638 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534579976 328311376 /nfs/dbraw/zinc/31/13/76/328311376.db2.gz JZCJGBWNKXHRRP-NEPJUHHUSA-N 2 2 262.357 0.900 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534579976 328311378 /nfs/dbraw/zinc/31/13/78/328311378.db2.gz JZCJGBWNKXHRRP-NEPJUHHUSA-N 2 2 262.357 0.900 20 30 CCEDLP C=C(C)COCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000570625886 327606348 /nfs/dbraw/zinc/60/63/48/327606348.db2.gz PFRQSWGUVGIOCE-KKUMJFAQSA-N 2 2 286.416 0.639 20 30 CCEDLP C[C@@H]1C[NH+]=C(NCC2([NH+]3CCOCC3)CCCCC2)N1 ZINC000262685304 330026872 /nfs/dbraw/zinc/02/68/72/330026872.db2.gz YEPZJSPBTNZQJS-CYBMUJFWSA-N 2 2 280.416 0.959 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262744978 330028976 /nfs/dbraw/zinc/02/89/76/330028976.db2.gz FPWGJHHCNPLEAQ-GFCCVEGCSA-N 3 2 276.388 0.285 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262744978 330028977 /nfs/dbraw/zinc/02/89/77/330028977.db2.gz FPWGJHHCNPLEAQ-GFCCVEGCSA-N 3 2 276.388 0.285 20 30 CCEDLP CC(C)(C)NC(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000263158123 330046626 /nfs/dbraw/zinc/04/66/26/330046626.db2.gz QFHGYVNJYWDWKH-PHIMTYICSA-N 2 2 254.378 0.552 20 30 CCEDLP CC(C)(C)NC(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000263158123 330046627 /nfs/dbraw/zinc/04/66/27/330046627.db2.gz QFHGYVNJYWDWKH-PHIMTYICSA-N 2 2 254.378 0.552 20 30 CCEDLP C=CC[C@H](CO)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423019891 330165672 /nfs/dbraw/zinc/16/56/72/330165672.db2.gz XRRZUFFLKRRWPB-IACUBPJLSA-N 2 2 254.374 0.528 20 30 CCEDLP C=CCn1cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)nn1 ZINC000424383959 330349527 /nfs/dbraw/zinc/34/95/27/330349527.db2.gz UTSUZQCMSFAQDI-NWDGAFQWSA-N 2 2 265.361 0.321 20 30 CCEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000451676872 331038587 /nfs/dbraw/zinc/03/85/87/331038587.db2.gz UANLWWBJQDAPTP-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000490713558 332107239 /nfs/dbraw/zinc/10/72/39/332107239.db2.gz KUEXTYGUJJLVQV-KGLIPLIRSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000490713558 332107240 /nfs/dbraw/zinc/10/72/40/332107240.db2.gz KUEXTYGUJJLVQV-KGLIPLIRSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)CCCC)CC1 ZINC000490780496 332115455 /nfs/dbraw/zinc/11/54/55/332115455.db2.gz LOVLVZJRUOEYGF-UHFFFAOYSA-N 2 2 280.372 0.452 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000490799154 332116034 /nfs/dbraw/zinc/11/60/34/332116034.db2.gz CBGIUTHKELZUQK-IYBDPMFKSA-N 2 2 289.423 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000490799154 332116036 /nfs/dbraw/zinc/11/60/36/332116036.db2.gz CBGIUTHKELZUQK-IYBDPMFKSA-N 2 2 289.423 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000490866451 332122231 /nfs/dbraw/zinc/12/22/31/332122231.db2.gz OXWZOCZUNSTLPA-OKILXGFUSA-N 2 2 263.385 0.352 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000490866451 332122233 /nfs/dbraw/zinc/12/22/33/332122233.db2.gz OXWZOCZUNSTLPA-OKILXGFUSA-N 2 2 263.385 0.352 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000490898851 332127037 /nfs/dbraw/zinc/12/70/37/332127037.db2.gz MGXOSJXYIUOPPD-LSDHHAIUSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000490898851 332127038 /nfs/dbraw/zinc/12/70/38/332127038.db2.gz MGXOSJXYIUOPPD-LSDHHAIUSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)(C)C)CC1 ZINC000491485787 332220516 /nfs/dbraw/zinc/22/05/16/332220516.db2.gz RCCMHYVYFVGPTJ-UHFFFAOYSA-N 2 2 251.374 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)(C)C)CC1 ZINC000491485787 332220517 /nfs/dbraw/zinc/22/05/17/332220517.db2.gz RCCMHYVYFVGPTJ-UHFFFAOYSA-N 2 2 251.374 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C=C)CC1 ZINC000491740135 332319407 /nfs/dbraw/zinc/31/94/07/332319407.db2.gz QPOOXBFGHJZPET-HNNXBMFYSA-N 2 2 275.396 0.804 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C=C)CC1 ZINC000491740135 332319408 /nfs/dbraw/zinc/31/94/08/332319408.db2.gz QPOOXBFGHJZPET-HNNXBMFYSA-N 2 2 275.396 0.804 20 30 CCEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246829884 334270238 /nfs/dbraw/zinc/27/02/38/334270238.db2.gz OCLZFYJRQRSWSS-GXTWGEPZSA-N 2 2 276.384 0.575 20 30 CCEDLP N#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246829884 334270240 /nfs/dbraw/zinc/27/02/40/334270240.db2.gz OCLZFYJRQRSWSS-GXTWGEPZSA-N 2 2 276.384 0.575 20 30 CCEDLP N#CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246829884 334270241 /nfs/dbraw/zinc/27/02/41/334270241.db2.gz OCLZFYJRQRSWSS-GXTWGEPZSA-N 2 2 276.384 0.575 20 30 CCEDLP N#CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246829884 334270243 /nfs/dbraw/zinc/27/02/43/334270243.db2.gz OCLZFYJRQRSWSS-GXTWGEPZSA-N 2 2 276.384 0.575 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000577515100 335363452 /nfs/dbraw/zinc/36/34/52/335363452.db2.gz XTTWHLFPCYIFFP-MNOVXSKESA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000577515100 335363453 /nfs/dbraw/zinc/36/34/53/335363453.db2.gz XTTWHLFPCYIFFP-MNOVXSKESA-N 2 2 268.361 0.057 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000677819786 545373784 /nfs/dbraw/zinc/37/37/84/545373784.db2.gz AFWLZDCYCWVYDG-AWEZNQCLSA-N 2 2 252.358 0.290 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000677819786 545373785 /nfs/dbraw/zinc/37/37/85/545373785.db2.gz AFWLZDCYCWVYDG-AWEZNQCLSA-N 2 2 252.358 0.290 20 30 CCEDLP C[C@H]1CNC(NN=C2CCN(c3cccc[nH+]3)CC2)=[NH+]1 ZINC000779805355 581207789 /nfs/dbraw/zinc/20/77/89/581207789.db2.gz NKUYSRLJYFNTDR-NSHDSACASA-N 2 2 272.356 0.975 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000794115187 581344781 /nfs/dbraw/zinc/34/47/81/581344781.db2.gz JLFHYMXMHPNXEE-AWEZNQCLSA-N 2 2 261.369 0.462 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000794115187 581344784 /nfs/dbraw/zinc/34/47/84/581344784.db2.gz JLFHYMXMHPNXEE-AWEZNQCLSA-N 2 2 261.369 0.462 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000794115187 581344786 /nfs/dbraw/zinc/34/47/86/581344786.db2.gz JLFHYMXMHPNXEE-AWEZNQCLSA-N 2 2 261.369 0.462 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000794115187 581344788 /nfs/dbraw/zinc/34/47/88/581344788.db2.gz JLFHYMXMHPNXEE-AWEZNQCLSA-N 2 2 261.369 0.462 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000783531670 581348439 /nfs/dbraw/zinc/34/84/39/581348439.db2.gz KJOZYNBISPPCNA-NEPJUHHUSA-N 2 2 260.403 0.660 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000783531670 581348442 /nfs/dbraw/zinc/34/84/42/581348442.db2.gz KJOZYNBISPPCNA-NEPJUHHUSA-N 2 2 260.403 0.660 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000730097733 581645338 /nfs/dbraw/zinc/64/53/38/581645338.db2.gz IJNVOCJHQCYKNN-HNNXBMFYSA-N 2 2 275.396 0.638 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000730097733 581645342 /nfs/dbraw/zinc/64/53/42/581645342.db2.gz IJNVOCJHQCYKNN-HNNXBMFYSA-N 2 2 275.396 0.638 20 30 CCEDLP C[NH+](C)CC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758222843 581729189 /nfs/dbraw/zinc/72/91/89/581729189.db2.gz LZGGENWSFPUVFZ-UHFFFAOYSA-N 2 2 274.368 0.951 20 30 CCEDLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCCC#N)CC1 ZINC000759967550 581834072 /nfs/dbraw/zinc/83/40/72/581834072.db2.gz QGNDLUQQDVCBTQ-LBPRGKRZSA-N 2 2 252.362 0.432 20 30 CCEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCCC#N)CC1 ZINC000759967550 581834075 /nfs/dbraw/zinc/83/40/75/581834075.db2.gz QGNDLUQQDVCBTQ-LBPRGKRZSA-N 2 2 252.362 0.432 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981455637 612957336 /nfs/dbraw/zinc/95/73/36/612957336.db2.gz FCEGDWZACKRKKC-CHWSQXEVSA-N 2 2 274.368 0.613 20 30 CCEDLP C#C[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000847018952 613105942 /nfs/dbraw/zinc/10/59/42/613105942.db2.gz NNODILHMAWWGRL-KGLIPLIRSA-N 2 2 254.374 0.271 20 30 CCEDLP C#C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000847018952 613105943 /nfs/dbraw/zinc/10/59/43/613105943.db2.gz NNODILHMAWWGRL-KGLIPLIRSA-N 2 2 254.374 0.271 20 30 CCEDLP C#C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000847018952 613105944 /nfs/dbraw/zinc/10/59/44/613105944.db2.gz NNODILHMAWWGRL-KGLIPLIRSA-N 2 2 254.374 0.271 20 30 CCEDLP C#C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000847018952 613105945 /nfs/dbraw/zinc/10/59/45/613105945.db2.gz NNODILHMAWWGRL-KGLIPLIRSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CCC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000880484361 612973691 /nfs/dbraw/zinc/97/36/91/612973691.db2.gz WDMUZYWBRFHWIX-CQSZACIVSA-N 2 2 266.385 0.292 20 30 CCEDLP C#CCC1(O)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000880484361 612973692 /nfs/dbraw/zinc/97/36/92/612973692.db2.gz WDMUZYWBRFHWIX-CQSZACIVSA-N 2 2 266.385 0.292 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000970815776 612963369 /nfs/dbraw/zinc/96/33/69/612963369.db2.gz JFKSCVKAFPPFPD-CABCVRRESA-N 2 2 286.379 0.508 20 30 CCEDLP C#CCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000812046291 613071856 /nfs/dbraw/zinc/07/18/56/613071856.db2.gz DHQGAAPNMRRBHW-ZDUSSCGKSA-N 2 2 278.400 0.430 20 30 CCEDLP C#CCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000812046291 613071858 /nfs/dbraw/zinc/07/18/58/613071858.db2.gz DHQGAAPNMRRBHW-ZDUSSCGKSA-N 2 2 278.400 0.430 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000923563113 613165585 /nfs/dbraw/zinc/16/55/85/613165585.db2.gz AQMCTOPNKAYUGQ-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000923563113 613165586 /nfs/dbraw/zinc/16/55/86/613165586.db2.gz AQMCTOPNKAYUGQ-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968699713 613247289 /nfs/dbraw/zinc/24/72/89/613247289.db2.gz YYYGDGPGWCIAIN-STQMWFEESA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968699713 613247291 /nfs/dbraw/zinc/24/72/91/613247291.db2.gz YYYGDGPGWCIAIN-STQMWFEESA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449722 613281164 /nfs/dbraw/zinc/28/11/64/613281164.db2.gz CKQZSQRDURAIFI-CYBMUJFWSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449722 613281166 /nfs/dbraw/zinc/28/11/66/613281166.db2.gz CKQZSQRDURAIFI-CYBMUJFWSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978492015 613311067 /nfs/dbraw/zinc/31/10/67/613311067.db2.gz ZYVNXQIVYPGNGH-ZSOGYDGISA-N 2 2 294.358 0.875 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC000978492015 613311068 /nfs/dbraw/zinc/31/10/68/613311068.db2.gz ZYVNXQIVYPGNGH-ZSOGYDGISA-N 2 2 294.358 0.875 20 30 CCEDLP 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/nfs/dbraw/zinc/84/44/91/818844491.db2.gz PKGCSRWQNHVSGS-GFCCVEGCSA-N 2 2 260.341 0.129 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033594991 818844496 /nfs/dbraw/zinc/84/44/96/818844496.db2.gz PKGCSRWQNHVSGS-GFCCVEGCSA-N 2 2 260.341 0.129 20 30 CCEDLP C#CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001034786641 819329080 /nfs/dbraw/zinc/32/90/80/819329080.db2.gz PFYNDUUYDCGEOW-JOCQHMNTSA-N 2 2 274.368 0.911 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001035376684 819508624 /nfs/dbraw/zinc/50/86/24/819508624.db2.gz SGVFNPPMGFBJDD-QLFBSQMISA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035376684 819508630 /nfs/dbraw/zinc/50/86/30/819508630.db2.gz SGVFNPPMGFBJDD-QLFBSQMISA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035376684 819508633 /nfs/dbraw/zinc/50/86/33/819508633.db2.gz SGVFNPPMGFBJDD-QLFBSQMISA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035376684 819508637 /nfs/dbraw/zinc/50/86/37/819508637.db2.gz SGVFNPPMGFBJDD-QLFBSQMISA-N 2 2 295.427 0.720 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001036003571 819664832 /nfs/dbraw/zinc/66/48/32/819664832.db2.gz HGOPVGQYXOCIJU-CHWSQXEVSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036702647 820052202 /nfs/dbraw/zinc/05/22/02/820052202.db2.gz PIQFAZWNEVXNPH-KBPBESRZSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036702647 820052212 /nfs/dbraw/zinc/05/22/12/820052212.db2.gz PIQFAZWNEVXNPH-KBPBESRZSA-N 2 2 286.379 0.898 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079489818 820410720 /nfs/dbraw/zinc/41/07/20/820410720.db2.gz PKHDZGPRLQUTQO-MGPQQGTHSA-N 2 2 263.385 0.540 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079489818 820410728 /nfs/dbraw/zinc/41/07/28/820410728.db2.gz PKHDZGPRLQUTQO-MGPQQGTHSA-N 2 2 263.385 0.540 20 30 CCEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079489818 820410735 /nfs/dbraw/zinc/41/07/35/820410735.db2.gz PKHDZGPRLQUTQO-MGPQQGTHSA-N 2 2 263.385 0.540 20 30 CCEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001079489818 820410738 /nfs/dbraw/zinc/41/07/38/820410738.db2.gz PKHDZGPRLQUTQO-MGPQQGTHSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001082751319 821029906 /nfs/dbraw/zinc/02/99/06/821029906.db2.gz UPPDOWOFHKADMN-AAVRWANBSA-N 2 2 286.379 0.593 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083106004 821141372 /nfs/dbraw/zinc/14/13/72/821141372.db2.gz FHAZHRIIKMYLFP-LSDHHAIUSA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083106004 821141374 /nfs/dbraw/zinc/14/13/74/821141374.db2.gz FHAZHRIIKMYLFP-LSDHHAIUSA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106004 821141376 /nfs/dbraw/zinc/14/13/76/821141376.db2.gz FHAZHRIIKMYLFP-LSDHHAIUSA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106004 821141377 /nfs/dbraw/zinc/14/13/77/821141377.db2.gz FHAZHRIIKMYLFP-LSDHHAIUSA-N 2 2 293.411 0.568 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403045 844013253 /nfs/dbraw/zinc/01/32/53/844013253.db2.gz LZEVEQYJLPULDB-JHJVBQTASA-N 2 2 272.352 0.727 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183403045 844013261 /nfs/dbraw/zinc/01/32/61/844013261.db2.gz LZEVEQYJLPULDB-JHJVBQTASA-N 2 2 272.352 0.727 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001183772268 844084819 /nfs/dbraw/zinc/08/48/19/844084819.db2.gz DXOPAAKLJUNJQV-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP CSc1ncc(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169066711 836123005 /nfs/dbraw/zinc/12/30/05/836123005.db2.gz GTXZKJKUAFYNOR-SECBINFHSA-N 2 2 290.352 0.118 20 30 CCEDLP C=C(C)CC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132081977 838312211 /nfs/dbraw/zinc/31/22/11/838312211.db2.gz HLCWJCIAKIERKN-UHFFFAOYSA-N 2 2 250.346 0.945 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784347 838494805 /nfs/dbraw/zinc/49/48/05/838494805.db2.gz QTFMWJGFQLLWIX-HNNXBMFYSA-N 2 2 293.411 0.359 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132784347 838494812 /nfs/dbraw/zinc/49/48/12/838494812.db2.gz QTFMWJGFQLLWIX-HNNXBMFYSA-N 2 2 293.411 0.359 20 30 CCEDLP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135581326 839307664 /nfs/dbraw/zinc/30/76/64/839307664.db2.gz WSAPRENUVSKWHJ-CHWSQXEVSA-N 2 2 292.383 0.475 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090850128 839853197 /nfs/dbraw/zinc/85/31/97/839853197.db2.gz QVIMJGAFCBIPFX-OLZOCXBDSA-N 2 2 278.356 0.011 20 30 CCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090850128 839853200 /nfs/dbraw/zinc/85/32/00/839853200.db2.gz QVIMJGAFCBIPFX-OLZOCXBDSA-N 2 2 278.356 0.011 20 30 CCEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cncc(C#N)c1 ZINC001144083230 839933406 /nfs/dbraw/zinc/93/34/06/839933406.db2.gz CTTBLPUOTFKEAW-UHFFFAOYSA-N 2 2 273.384 0.632 20 30 CCEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cncc(C#N)c1 ZINC001144083230 839933412 /nfs/dbraw/zinc/93/34/12/839933412.db2.gz CTTBLPUOTFKEAW-UHFFFAOYSA-N 2 2 273.384 0.632 20 30 CCEDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001147899923 840717015 /nfs/dbraw/zinc/71/70/15/840717015.db2.gz CODPNJXPALZPKY-UHFFFAOYSA-N 2 2 297.362 0.740 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734568 841150813 /nfs/dbraw/zinc/15/08/13/841150813.db2.gz URFDIVKJESRLFJ-HIFRSBDPSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001036734568 841150821 /nfs/dbraw/zinc/15/08/21/841150821.db2.gz URFDIVKJESRLFJ-HIFRSBDPSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734568 841150829 /nfs/dbraw/zinc/15/08/29/841150829.db2.gz URFDIVKJESRLFJ-HIFRSBDPSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036734568 841150835 /nfs/dbraw/zinc/15/08/35/841150835.db2.gz URFDIVKJESRLFJ-HIFRSBDPSA-N 2 2 286.379 0.898 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036855283 841382921 /nfs/dbraw/zinc/38/29/21/841382921.db2.gz YOTFWNDGRILAFZ-KBPBESRZSA-N 2 2 286.379 0.898 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036855283 841382931 /nfs/dbraw/zinc/38/29/31/841382931.db2.gz YOTFWNDGRILAFZ-KBPBESRZSA-N 2 2 286.379 0.898 20 30 CCEDLP COCCC[NH+]1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001172252473 841911560 /nfs/dbraw/zinc/91/15/60/841911560.db2.gz NOIGAXDKOBJDIJ-AWEZNQCLSA-N 2 2 266.389 0.285 20 30 CCEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176166619 842333960 /nfs/dbraw/zinc/33/39/60/842333960.db2.gz TUFQTTBPCUTHHF-ZDUSSCGKSA-N 2 2 276.384 0.860 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177065009 842498939 /nfs/dbraw/zinc/49/89/39/842498939.db2.gz UNAXNSRSFXIFOD-CQSZACIVSA-N 2 2 274.368 0.413 20 30 CCEDLP C=C(C)CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177406498 842580111 /nfs/dbraw/zinc/58/01/11/842580111.db2.gz ZIYDKXGZZKKOJT-UHFFFAOYSA-N 2 2 250.346 0.945 20 30 CCEDLP C=CCN1C(=O)C[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711329 846678259 /nfs/dbraw/zinc/67/82/59/846678259.db2.gz AVHCDQVCRPRJPD-MRXNPFEDSA-N 2 2 293.411 0.965 20 30 CCEDLP C=CCN1C(=O)C[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711329 846678262 /nfs/dbraw/zinc/67/82/62/846678262.db2.gz AVHCDQVCRPRJPD-MRXNPFEDSA-N 2 2 293.411 0.965 20 30 CCEDLP C=CCOCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368154 847096831 /nfs/dbraw/zinc/09/68/31/847096831.db2.gz PIJRESOSPWTSNO-UHFFFAOYSA-N 2 2 292.383 0.620 20 30 CCEDLP C=CCOCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368154 847096838 /nfs/dbraw/zinc/09/68/38/847096838.db2.gz PIJRESOSPWTSNO-UHFFFAOYSA-N 2 2 292.383 0.620 20 30 CCEDLP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001251851650 847205726 /nfs/dbraw/zinc/20/57/26/847205726.db2.gz PLQNTQYMPJTDNA-STQMWFEESA-N 2 2 263.341 0.600 20 30 CCEDLP C#CCOC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001251851650 847205736 /nfs/dbraw/zinc/20/57/36/847205736.db2.gz PLQNTQYMPJTDNA-STQMWFEESA-N 2 2 263.341 0.600 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199353258 847296583 /nfs/dbraw/zinc/29/65/83/847296583.db2.gz FKYLRAKEZILRPV-ZIAGYGMSSA-N 2 2 292.383 0.401 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199353258 847296592 /nfs/dbraw/zinc/29/65/92/847296592.db2.gz FKYLRAKEZILRPV-ZIAGYGMSSA-N 2 2 292.383 0.401 20 30 CCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405666 847325140 /nfs/dbraw/zinc/32/51/40/847325140.db2.gz ILSJLBOTKIZCNF-CHWSQXEVSA-N 2 2 278.356 0.011 20 30 CCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726771 847807937 /nfs/dbraw/zinc/80/79/37/847807937.db2.gz OEXYKLXYRYZMSQ-ZDUSSCGKSA-N 2 2 290.367 0.183 20 30 CCEDLP N#Cc1ccc2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)[nH]c2c1 ZINC001205983195 848277286 /nfs/dbraw/zinc/27/72/86/848277286.db2.gz OIRSRVAAZYKAON-UKRRQHHQSA-N 2 2 270.336 0.933 20 30 CCEDLP N#Cc1ccc2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)[nH]c2c1 ZINC001205983195 848277290 /nfs/dbraw/zinc/27/72/90/848277290.db2.gz OIRSRVAAZYKAON-UKRRQHHQSA-N 2 2 270.336 0.933 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001274951527 848600169 /nfs/dbraw/zinc/60/01/69/848600169.db2.gz JZSYUGQQOYPECI-NWDGAFQWSA-N 2 2 262.357 0.706 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001274951527 848600175 /nfs/dbraw/zinc/60/01/75/848600175.db2.gz JZSYUGQQOYPECI-NWDGAFQWSA-N 2 2 262.357 0.706 20 30 CCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001095768544 849137254 /nfs/dbraw/zinc/13/72/54/849137254.db2.gz IPNWPFVTNLZVQI-RDBSUJKOSA-N 2 2 272.352 0.546 20 30 CCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001095768544 849137258 /nfs/dbraw/zinc/13/72/58/849137258.db2.gz IPNWPFVTNLZVQI-RDBSUJKOSA-N 2 2 272.352 0.546 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652635 849347595 /nfs/dbraw/zinc/34/75/95/849347595.db2.gz QTLYSQPQUCVZNV-NHAGDIPZSA-N 2 2 274.368 0.896 20 30 CCEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652635 849347603 /nfs/dbraw/zinc/34/76/03/849347603.db2.gz QTLYSQPQUCVZNV-NHAGDIPZSA-N 2 2 274.368 0.896 20 30 CCEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442341 849900534 /nfs/dbraw/zinc/90/05/34/849900534.db2.gz OABYMNANQWVIMG-LBPRGKRZSA-N 2 2 290.367 0.564 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442341 849900543 /nfs/dbraw/zinc/90/05/43/849900543.db2.gz OABYMNANQWVIMG-LBPRGKRZSA-N 2 2 290.367 0.564 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039039621 850134209 /nfs/dbraw/zinc/13/42/09/850134209.db2.gz OGKYUDCOWMZRDC-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039039621 850134212 /nfs/dbraw/zinc/13/42/12/850134212.db2.gz OGKYUDCOWMZRDC-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039621 850134218 /nfs/dbraw/zinc/13/42/18/850134218.db2.gz OGKYUDCOWMZRDC-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039621 850134220 /nfs/dbraw/zinc/13/42/20/850134220.db2.gz OGKYUDCOWMZRDC-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039046016 850136344 /nfs/dbraw/zinc/13/63/44/850136344.db2.gz JZJHELVPPCSTBL-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039046016 850136346 /nfs/dbraw/zinc/13/63/46/850136346.db2.gz JZJHELVPPCSTBL-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039046016 850136348 /nfs/dbraw/zinc/13/63/48/850136348.db2.gz JZJHELVPPCSTBL-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001039046016 850136351 /nfs/dbraw/zinc/13/63/51/850136351.db2.gz JZJHELVPPCSTBL-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041710985 850488459 /nfs/dbraw/zinc/48/84/59/850488459.db2.gz ATUYKBHGAALXIW-OAHLLOKOSA-N 2 2 272.352 0.510 20 30 CCEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041710985 850488464 /nfs/dbraw/zinc/48/84/64/850488464.db2.gz ATUYKBHGAALXIW-OAHLLOKOSA-N 2 2 272.352 0.510 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC=C)C1 ZINC001042963970 850787907 /nfs/dbraw/zinc/78/79/07/850787907.db2.gz XAVAHMSXDLZRLU-HNNXBMFYSA-N 2 2 275.396 0.803 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCC=C)C1 ZINC001042963970 850787916 /nfs/dbraw/zinc/78/79/16/850787916.db2.gz XAVAHMSXDLZRLU-HNNXBMFYSA-N 2 2 275.396 0.803 20 30 CCEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001044317450 851075055 /nfs/dbraw/zinc/07/50/55/851075055.db2.gz MJMGCBZXXYYRQV-HNNXBMFYSA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001044317450 851075060 /nfs/dbraw/zinc/07/50/60/851075060.db2.gz MJMGCBZXXYYRQV-HNNXBMFYSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046220166 851426327 /nfs/dbraw/zinc/42/63/27/851426327.db2.gz ROFRWKPKGWZTFH-OCCSQVGLSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046220166 851426341 /nfs/dbraw/zinc/42/63/41/851426341.db2.gz ROFRWKPKGWZTFH-OCCSQVGLSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046220166 851426346 /nfs/dbraw/zinc/42/63/46/851426346.db2.gz ROFRWKPKGWZTFH-OCCSQVGLSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046220166 851426358 /nfs/dbraw/zinc/42/63/58/851426358.db2.gz ROFRWKPKGWZTFH-OCCSQVGLSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598127 851830787 /nfs/dbraw/zinc/83/07/87/851830787.db2.gz WLAGDLWDMUMHAX-KBPBESRZSA-N 2 2 292.383 0.042 20 30 CCEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001047598127 851830790 /nfs/dbraw/zinc/83/07/90/851830790.db2.gz WLAGDLWDMUMHAX-KBPBESRZSA-N 2 2 292.383 0.042 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001048933160 852112881 /nfs/dbraw/zinc/11/28/81/852112881.db2.gz NHNWEXHTRWZPGU-OKILXGFUSA-N 2 2 294.358 0.971 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC001048933160 852112889 /nfs/dbraw/zinc/11/28/89/852112889.db2.gz NHNWEXHTRWZPGU-OKILXGFUSA-N 2 2 294.358 0.971 20 30 CCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545973 852313673 /nfs/dbraw/zinc/31/36/73/852313673.db2.gz UZOOAVXNVNWMSB-RDBSUJKOSA-N 2 2 261.369 0.437 20 30 CCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001096545973 852313682 /nfs/dbraw/zinc/31/36/82/852313682.db2.gz UZOOAVXNVNWMSB-RDBSUJKOSA-N 2 2 261.369 0.437 20 30 CCEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823839 852660075 /nfs/dbraw/zinc/66/00/75/852660075.db2.gz PUQKMLVCKONVFP-ZDUSSCGKSA-N 2 2 274.368 0.946 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823839 852660078 /nfs/dbraw/zinc/66/00/78/852660078.db2.gz PUQKMLVCKONVFP-ZDUSSCGKSA-N 2 2 274.368 0.946 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970737 852678003 /nfs/dbraw/zinc/67/80/03/852678003.db2.gz WMXTXBFPGKPMOD-CQSZACIVSA-N 2 2 274.368 0.877 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970737 852678008 /nfs/dbraw/zinc/67/80/08/852678008.db2.gz WMXTXBFPGKPMOD-CQSZACIVSA-N 2 2 274.368 0.877 20 30 CCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053755304 852805601 /nfs/dbraw/zinc/80/56/01/852805601.db2.gz BSRUTGCYIZFBLH-KBPBESRZSA-N 2 2 293.411 0.616 20 30 CCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053755304 852805605 /nfs/dbraw/zinc/80/56/05/852805605.db2.gz BSRUTGCYIZFBLH-KBPBESRZSA-N 2 2 293.411 0.616 20 30 CCEDLP C#CC[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078780 854525071 /nfs/dbraw/zinc/52/50/71/854525071.db2.gz ZBNWDQBLMPXVIT-UHFFFAOYSA-N 2 2 258.325 0.120 20 30 CCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078780 854525074 /nfs/dbraw/zinc/52/50/74/854525074.db2.gz ZBNWDQBLMPXVIT-UHFFFAOYSA-N 2 2 258.325 0.120 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115188775 855651737 /nfs/dbraw/zinc/65/17/37/855651737.db2.gz PUMKJMVHWXXTRR-FOLVSLTJSA-N 2 2 286.379 0.422 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115188775 855651738 /nfs/dbraw/zinc/65/17/38/855651738.db2.gz PUMKJMVHWXXTRR-FOLVSLTJSA-N 2 2 286.379 0.422 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115339753 855663695 /nfs/dbraw/zinc/66/36/95/855663695.db2.gz CVUILQIBXONDKT-FOLVSLTJSA-N 2 2 286.379 0.733 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115339753 855663701 /nfs/dbraw/zinc/66/37/01/855663701.db2.gz CVUILQIBXONDKT-FOLVSLTJSA-N 2 2 286.379 0.733 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001118624593 856371121 /nfs/dbraw/zinc/37/11/21/856371121.db2.gz NJJNHMWPSJPBMS-GFCCVEGCSA-N 2 2 287.367 0.550 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001481067714 892125603 /nfs/dbraw/zinc/12/56/03/892125603.db2.gz XEIQPTSOQMZRJZ-GFCCVEGCSA-N 2 2 260.341 0.474 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001481067714 892125607 /nfs/dbraw/zinc/12/56/07/892125607.db2.gz XEIQPTSOQMZRJZ-GFCCVEGCSA-N 2 2 260.341 0.474 20 30 CCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001481693075 893021059 /nfs/dbraw/zinc/02/10/59/893021059.db2.gz ZLIGMAQDQQJLLC-NSHDSACASA-N 2 2 259.781 0.881 20 30 CCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001481693075 893021081 /nfs/dbraw/zinc/02/10/81/893021081.db2.gz ZLIGMAQDQQJLLC-NSHDSACASA-N 2 2 259.781 0.881 20 30 CCEDLP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001284516812 893597335 /nfs/dbraw/zinc/59/73/35/893597335.db2.gz PCDWSJBDLJKGGP-CYBMUJFWSA-N 2 2 294.399 0.588 20 30 CCEDLP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001284516812 893597347 /nfs/dbraw/zinc/59/73/47/893597347.db2.gz PCDWSJBDLJKGGP-CYBMUJFWSA-N 2 2 294.399 0.588 20 30 CCEDLP C=CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001482342130 893891747 /nfs/dbraw/zinc/89/17/47/893891747.db2.gz ISLDKFSGUOFCBY-ZDUSSCGKSA-N 2 2 283.416 0.720 20 30 CCEDLP CC#CC[NH2+]C/C=C\CNC(=O)CCn1cc[nH+]c1 ZINC001483045203 894842513 /nfs/dbraw/zinc/84/25/13/894842513.db2.gz MZFNTEZAXSJCAW-PLNGDYQASA-N 2 2 260.341 0.559 20 30 CCEDLP C#CCC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001484923770 896670611 /nfs/dbraw/zinc/67/06/11/896670611.db2.gz BUAJDVAURXJFPI-UHFFFAOYSA-N 2 2 274.368 0.946 20 30 CCEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001485531885 897112718 /nfs/dbraw/zinc/11/27/18/897112718.db2.gz CIOZAOHUEABQGB-LBPRGKRZSA-N 2 2 276.384 0.975 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407428 897472429 /nfs/dbraw/zinc/47/24/29/897472429.db2.gz DRMWKENTINHIGB-KKUMJFAQSA-N 2 2 273.380 0.247 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407428 897472440 /nfs/dbraw/zinc/47/24/40/897472440.db2.gz DRMWKENTINHIGB-KKUMJFAQSA-N 2 2 273.380 0.247 20 30 CCEDLP C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001272809057 897773915 /nfs/dbraw/zinc/77/39/15/897773915.db2.gz VQLJGNLZINOISV-CQSZACIVSA-N 2 2 298.390 0.846 20 30 CCEDLP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485896122 898493058 /nfs/dbraw/zinc/49/30/58/898493058.db2.gz YDDLTPFZPVZMGQ-ZIAGYGMSSA-N 2 2 288.395 0.905 20 30 CCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001486097365 898652788 /nfs/dbraw/zinc/65/27/88/898652788.db2.gz VQXJVTSTDMZAQG-ZIAGYGMSSA-N 2 2 290.367 0.112 20 30 CCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001486351102 898808173 /nfs/dbraw/zinc/80/81/73/898808173.db2.gz OLRYLHHPPLSIMW-GXTWGEPZSA-N 2 2 294.399 0.525 20 30 CCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001486351102 898808181 /nfs/dbraw/zinc/80/81/81/898808181.db2.gz OLRYLHHPPLSIMW-GXTWGEPZSA-N 2 2 294.399 0.525 20 30 CCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001486351102 898808190 /nfs/dbraw/zinc/80/81/90/898808190.db2.gz OLRYLHHPPLSIMW-GXTWGEPZSA-N 2 2 294.399 0.525 20 30 CCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001486351102 898808198 /nfs/dbraw/zinc/80/81/98/898808198.db2.gz OLRYLHHPPLSIMW-GXTWGEPZSA-N 2 2 294.399 0.525 20 30 CCEDLP C#CC[NH+]1CCC(C2(NC(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001486490093 898899410 /nfs/dbraw/zinc/89/94/10/898899410.db2.gz GQIXUZMMFOVHHM-UHFFFAOYSA-N 2 2 286.379 0.877 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C#N)C2)CC1 ZINC001411780505 901247725 /nfs/dbraw/zinc/24/77/25/901247725.db2.gz BYLSJYIKAZNFBU-MBNYWOFBSA-N 2 2 276.384 0.431 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C#N)C2)CC1 ZINC001411780505 901247737 /nfs/dbraw/zinc/24/77/37/901247737.db2.gz BYLSJYIKAZNFBU-MBNYWOFBSA-N 2 2 276.384 0.431 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001491273910 903477346 /nfs/dbraw/zinc/47/73/46/903477346.db2.gz NLSFCKYHYHQWIN-HNNXBMFYSA-N 2 2 288.395 0.957 20 30 CCEDLP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001491507332 903628137 /nfs/dbraw/zinc/62/81/37/903628137.db2.gz IUCTVTITTAVHQY-RYUDHWBXSA-N 2 2 262.357 0.726 20 30 CCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001280660189 904136634 /nfs/dbraw/zinc/13/66/34/904136634.db2.gz RXWXANQJGVUKPR-ZDUSSCGKSA-N 2 2 292.383 0.654 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001281897346 904361930 /nfs/dbraw/zinc/36/19/30/904361930.db2.gz KBPFIWMENGROHV-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001282015727 904387855 /nfs/dbraw/zinc/38/78/55/904387855.db2.gz MQNMJCJWGJPSQC-MOKVOYLWSA-N 2 2 286.379 0.563 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001282744570 904537398 /nfs/dbraw/zinc/53/73/98/904537398.db2.gz KMMIRZNKASJEIE-LLVKDONJSA-N 2 2 260.341 0.261 20 30 CCEDLP C=CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC001337647944 921281678 /nfs/dbraw/zinc/28/16/78/921281678.db2.gz CKIPXCQUCRHPBQ-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC001337647944 921281680 /nfs/dbraw/zinc/28/16/80/921281680.db2.gz CKIPXCQUCRHPBQ-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP COCC#CC[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491595920 907431705 /nfs/dbraw/zinc/43/17/05/907431705.db2.gz QXKPQDJKUDCJQF-ZIAGYGMSSA-N 2 2 292.383 0.578 20 30 CCEDLP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001491636224 907472972 /nfs/dbraw/zinc/47/29/72/907472972.db2.gz CYELBRNJXBGHTJ-JTQLQIEISA-N 2 2 270.764 0.809 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001491693249 907508132 /nfs/dbraw/zinc/50/81/32/907508132.db2.gz RGORFZLHPHOLGD-ZDUSSCGKSA-N 2 2 262.357 0.781 20 30 CCEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491844382 907602353 /nfs/dbraw/zinc/60/23/53/907602353.db2.gz QTTQSQAAGLQGAR-GFCCVEGCSA-N 2 2 262.357 0.966 20 30 CCEDLP C=CC[NH2+][C@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001492064230 907688055 /nfs/dbraw/zinc/68/80/55/907688055.db2.gz OXOKUQRMORJKCY-GFCCVEGCSA-N 2 2 250.346 0.944 20 30 CCEDLP C#CCC[N@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001316839720 908800710 /nfs/dbraw/zinc/80/07/10/908800710.db2.gz RCNFZRVELLFDRD-UHFFFAOYSA-N 2 2 262.357 0.735 20 30 CCEDLP C#CCC[N@@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001316839720 908800730 /nfs/dbraw/zinc/80/07/30/908800730.db2.gz RCNFZRVELLFDRD-UHFFFAOYSA-N 2 2 262.357 0.735 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317120133 908993847 /nfs/dbraw/zinc/99/38/47/908993847.db2.gz BDZDVLDUUIPDNM-RWMBFGLXSA-N 2 2 260.341 0.704 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001319330114 910099607 /nfs/dbraw/zinc/09/96/07/910099607.db2.gz NOWOMRGUUGDYRX-CYBMUJFWSA-N 2 2 269.389 0.331 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001319330114 910099618 /nfs/dbraw/zinc/09/96/18/910099618.db2.gz NOWOMRGUUGDYRX-CYBMUJFWSA-N 2 2 269.389 0.331 20 30 CCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001319330114 910099635 /nfs/dbraw/zinc/09/96/35/910099635.db2.gz NOWOMRGUUGDYRX-CYBMUJFWSA-N 2 2 269.389 0.331 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001319330114 910099659 /nfs/dbraw/zinc/09/96/59/910099659.db2.gz NOWOMRGUUGDYRX-CYBMUJFWSA-N 2 2 269.389 0.331 20 30 CCEDLP C=CC[NH2+]CCN(CC)C(=O)CCc1c[nH+]cn1C ZINC001320911860 910932102 /nfs/dbraw/zinc/93/21/02/910932102.db2.gz ALMMLLLQOFYOTO-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001328362847 915140826 /nfs/dbraw/zinc/14/08/26/915140826.db2.gz MNAORLNDZPEVQN-UONOGXRCSA-N 2 2 288.395 0.953 20 30 CCEDLP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332322708 918050985 /nfs/dbraw/zinc/05/09/85/918050985.db2.gz NHIJHYOMPZQOEO-STQMWFEESA-N 2 2 274.368 0.850 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC001336785429 921010099 /nfs/dbraw/zinc/01/00/99/921010099.db2.gz ZVSCORBJFGZVER-CYBMUJFWSA-N 2 2 254.374 0.196 20 30 CCEDLP C=CCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336879055 921078995 /nfs/dbraw/zinc/07/89/95/921078995.db2.gz IODHWYJBKRBJLC-UHFFFAOYSA-N 2 2 254.378 0.675 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001340838255 922232693 /nfs/dbraw/zinc/23/26/93/922232693.db2.gz HYBNHRPEKQTDAE-OLZOCXBDSA-N 2 2 269.389 0.507 20 30 CCEDLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC001342195629 922856196 /nfs/dbraw/zinc/85/61/96/922856196.db2.gz GXNFELQVIFGWSK-CQSZACIVSA-N 2 2 293.411 0.169 20 30 CCEDLP C=CC[C@@]1(C(=O)N[C@H](CC)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC001342534406 922992744 /nfs/dbraw/zinc/99/27/44/922992744.db2.gz DPSBFPRTHUALDK-ZBFHGGJFSA-N 2 2 295.427 0.912 20 30 CCEDLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC001342609361 923022543 /nfs/dbraw/zinc/02/25/43/923022543.db2.gz SFAJZSZDHPHJAZ-QWHCGFSZSA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC001356607104 926407209 /nfs/dbraw/zinc/40/72/09/926407209.db2.gz MXCQACULIHBTPH-QWHCGFSZSA-N 2 2 282.388 0.187 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000600756913 362056227 /nfs/dbraw/zinc/05/62/27/362056227.db2.gz ODIONBUCKRSZBM-STQMWFEESA-N 2 2 296.415 0.217 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600756913 362056232 /nfs/dbraw/zinc/05/62/32/362056232.db2.gz ODIONBUCKRSZBM-STQMWFEESA-N 2 2 296.415 0.217 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC[C@H]1CCCO1 ZINC000072725597 260278197 /nfs/dbraw/zinc/27/81/97/260278197.db2.gz RQAHLNZZBCXEBZ-LLVKDONJSA-N 2 2 251.334 0.227 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc(C#N)ncn3)C2)CC1 ZINC000617952681 365855948 /nfs/dbraw/zinc/85/59/48/365855948.db2.gz WMSSHMWGABKKPZ-GFCCVEGCSA-N 2 2 286.383 0.929 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc(C#N)ncn3)C2)CC1 ZINC000617952681 365855953 /nfs/dbraw/zinc/85/59/53/365855953.db2.gz WMSSHMWGABKKPZ-GFCCVEGCSA-N 2 2 286.383 0.929 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000081644181 349278423 /nfs/dbraw/zinc/27/84/23/349278423.db2.gz WBAHKVXKLQQLHH-AWEZNQCLSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000081644181 349278426 /nfs/dbraw/zinc/27/84/26/349278426.db2.gz WBAHKVXKLQQLHH-AWEZNQCLSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)CC)CC1 ZINC000081670602 349280027 /nfs/dbraw/zinc/28/00/27/349280027.db2.gz CBQWRAANSODZOV-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)CC)CC1 ZINC000081670602 349280030 /nfs/dbraw/zinc/28/00/30/349280030.db2.gz CBQWRAANSODZOV-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000226265997 352021565 /nfs/dbraw/zinc/02/15/65/352021565.db2.gz JHYQDBOMYKSLLS-NSHDSACASA-N 2 2 264.398 0.955 20 30 CCEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000226265997 352021568 /nfs/dbraw/zinc/02/15/68/352021568.db2.gz JHYQDBOMYKSLLS-NSHDSACASA-N 2 2 264.398 0.955 20 30 CCEDLP Cc1cc(NC[C@H]2CCC[N@@H+]2CCCO)c(C#N)c[nH+]1 ZINC000425271553 235280141 /nfs/dbraw/zinc/28/01/41/235280141.db2.gz VGAKOMNTPYNPMY-CQSZACIVSA-N 2 2 274.368 0.942 20 30 CCEDLP Cc1cc(NC[C@H]2CCC[N@H+]2CCCO)c(C#N)c[nH+]1 ZINC000425271553 235280143 /nfs/dbraw/zinc/28/01/43/235280143.db2.gz VGAKOMNTPYNPMY-CQSZACIVSA-N 2 2 274.368 0.942 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000491667963 358295763 /nfs/dbraw/zinc/29/57/63/358295763.db2.gz IXLCCLCBMHQFNN-UHFFFAOYSA-N 2 2 262.357 0.759 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000491667963 358295765 /nfs/dbraw/zinc/29/57/65/358295765.db2.gz IXLCCLCBMHQFNN-UHFFFAOYSA-N 2 2 262.357 0.759 20 30 CCEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000573490935 358972765 /nfs/dbraw/zinc/97/27/65/358972765.db2.gz RSUGPROPGYFRQV-STQMWFEESA-N 2 2 250.346 0.476 20 30 CCEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591742692 359651170 /nfs/dbraw/zinc/65/11/70/359651170.db2.gz AEGRBBLDGZLPPJ-CABCVRRESA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(C#N)nn3)C2)CC1 ZINC000611240912 363694134 /nfs/dbraw/zinc/69/41/34/363694134.db2.gz QLWDANHGEPFWPY-ZDUSSCGKSA-N 2 2 286.383 0.351 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(C#N)nn3)C2)CC1 ZINC000611240912 363694139 /nfs/dbraw/zinc/69/41/39/363694139.db2.gz QLWDANHGEPFWPY-ZDUSSCGKSA-N 2 2 286.383 0.351 20 30 CCEDLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436364 360304207 /nfs/dbraw/zinc/30/42/07/360304207.db2.gz DGIDRUNMBRWRKO-STQMWFEESA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436364 360304214 /nfs/dbraw/zinc/30/42/14/360304214.db2.gz DGIDRUNMBRWRKO-STQMWFEESA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000594439610 360308836 /nfs/dbraw/zinc/30/88/36/360308836.db2.gz XRISRASNEYNOPO-MELADBBJSA-N 2 2 296.415 0.623 20 30 CCEDLP C[NH+]1CCN(c2ncc(C[NH+]3CC(CC#N)C3)cn2)CC1 ZINC000597194686 361028791 /nfs/dbraw/zinc/02/87/91/361028791.db2.gz XIZOPNJNMYXEJD-UHFFFAOYSA-N 2 2 286.383 0.574 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCC#N)C2)CC1 ZINC000612129960 363852132 /nfs/dbraw/zinc/85/21/32/363852132.db2.gz LZSCZLFKTYJVIE-CYBMUJFWSA-N 2 2 293.415 0.758 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCC#N)C2)CC1 ZINC000612129960 363852136 /nfs/dbraw/zinc/85/21/36/363852136.db2.gz LZSCZLFKTYJVIE-CYBMUJFWSA-N 2 2 293.415 0.758 20 30 CCEDLP C=CC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000625704914 368299531 /nfs/dbraw/zinc/29/95/31/368299531.db2.gz VSBSONBFTILTLR-ZDUSSCGKSA-N 2 2 251.374 0.658 20 30 CCEDLP C=CC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000625704914 368299534 /nfs/dbraw/zinc/29/95/34/368299534.db2.gz VSBSONBFTILTLR-ZDUSSCGKSA-N 2 2 251.374 0.658 20 30 CCEDLP CCC[N@H+](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000355594601 389098474 /nfs/dbraw/zinc/09/84/74/389098474.db2.gz GVFQNNVNCKTOPZ-UHFFFAOYSA-N 2 2 296.415 0.403 20 30 CCEDLP CCC[N@@H+](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000355594601 389098480 /nfs/dbraw/zinc/09/84/80/389098480.db2.gz GVFQNNVNCKTOPZ-UHFFFAOYSA-N 2 2 296.415 0.403 20 30 CCEDLP CC(C)(C(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCOCC1 ZINC000328669977 389130869 /nfs/dbraw/zinc/13/08/69/389130869.db2.gz GDBYIWVTONJTJO-UHFFFAOYSA-N 2 2 299.415 0.776 20 30 CCEDLP CC(C)(C(=O)NCC[N@H+]1CCCOCC1)[NH+]1CCOCC1 ZINC000328669977 389130872 /nfs/dbraw/zinc/13/08/72/389130872.db2.gz GDBYIWVTONJTJO-UHFFFAOYSA-N 2 2 299.415 0.776 20 30 CCEDLP C=CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000357529233 389135671 /nfs/dbraw/zinc/13/56/71/389135671.db2.gz MSVMGFYDOLKMOE-UHFFFAOYSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000357529233 389135675 /nfs/dbraw/zinc/13/56/75/389135675.db2.gz MSVMGFYDOLKMOE-UHFFFAOYSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246538801 389229513 /nfs/dbraw/zinc/22/95/13/389229513.db2.gz BQPZEQMNGWSFIW-GJZGRUSLSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246538801 389229514 /nfs/dbraw/zinc/22/95/14/389229514.db2.gz BQPZEQMNGWSFIW-GJZGRUSLSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152437029 389290712 /nfs/dbraw/zinc/29/07/12/389290712.db2.gz REKXIXYQDWBBJF-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152437029 389290714 /nfs/dbraw/zinc/29/07/14/389290714.db2.gz REKXIXYQDWBBJF-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152437029 389290715 /nfs/dbraw/zinc/29/07/15/389290715.db2.gz REKXIXYQDWBBJF-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152437029 389290719 /nfs/dbraw/zinc/29/07/19/389290719.db2.gz REKXIXYQDWBBJF-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000366556430 389304559 /nfs/dbraw/zinc/30/45/59/389304559.db2.gz HECNFHULWMHEEC-AWEZNQCLSA-N 2 2 276.384 0.576 20 30 CCEDLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000366556430 389304562 /nfs/dbraw/zinc/30/45/62/389304562.db2.gz HECNFHULWMHEEC-AWEZNQCLSA-N 2 2 276.384 0.576 20 30 CCEDLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000366556430 389304564 /nfs/dbraw/zinc/30/45/64/389304564.db2.gz HECNFHULWMHEEC-AWEZNQCLSA-N 2 2 276.384 0.576 20 30 CCEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000366556430 389304569 /nfs/dbraw/zinc/30/45/69/389304569.db2.gz HECNFHULWMHEEC-AWEZNQCLSA-N 2 2 276.384 0.576 20 30 CCEDLP CNC(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)=[NH+]C ZINC000264090129 389306317 /nfs/dbraw/zinc/30/63/17/389306317.db2.gz KUSUXDBFZPONIM-UHFFFAOYSA-N 2 2 293.390 0.743 20 30 CCEDLP COCCNC(=[NH2+])NCc1ccccc1Cn1cc[nH+]c1 ZINC000264136072 389308529 /nfs/dbraw/zinc/30/85/29/389308529.db2.gz VGCIPPHSJNWUBQ-UHFFFAOYSA-N 2 2 287.367 0.982 20 30 CCEDLP C=CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000170740994 389461321 /nfs/dbraw/zinc/46/13/21/389461321.db2.gz UAPJQFWKOQTJHE-UHFFFAOYSA-N 2 2 268.405 0.840 20 30 CCEDLP C=CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000170740994 389461324 /nfs/dbraw/zinc/46/13/24/389461324.db2.gz UAPJQFWKOQTJHE-UHFFFAOYSA-N 2 2 268.405 0.840 20 30 CCEDLP C[C@@H](CCC#N)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000411324000 389424641 /nfs/dbraw/zinc/42/46/41/389424641.db2.gz JXRCWGKCLCUZLB-UONOGXRCSA-N 2 2 278.400 0.917 20 30 CCEDLP C[C@@H](CCC#N)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000411324000 389424646 /nfs/dbraw/zinc/42/46/46/389424646.db2.gz JXRCWGKCLCUZLB-UONOGXRCSA-N 2 2 278.400 0.917 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000372716675 389456803 /nfs/dbraw/zinc/45/68/03/389456803.db2.gz OVRQOCKALCNVMX-CQSZACIVSA-N 2 2 286.379 0.613 20 30 CCEDLP COCCNC(=[NH2+])NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000176397947 389557574 /nfs/dbraw/zinc/55/75/74/389557574.db2.gz QWOUDEFXNMBCDF-UHFFFAOYSA-N 2 2 282.363 0.808 20 30 CCEDLP COCCNC(=[NH2+])NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000176397947 389557577 /nfs/dbraw/zinc/55/75/77/389557577.db2.gz QWOUDEFXNMBCDF-UHFFFAOYSA-N 2 2 282.363 0.808 20 30 CCEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000447528772 389957337 /nfs/dbraw/zinc/95/73/37/389957337.db2.gz IKVXJLPWXRTXNQ-MGPQQGTHSA-N 2 2 278.400 0.998 20 30 CCEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000447528772 389957340 /nfs/dbraw/zinc/95/73/40/389957340.db2.gz IKVXJLPWXRTXNQ-MGPQQGTHSA-N 2 2 278.400 0.998 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C)C[C@H]2C[NH3+])C1=O ZINC000420341052 389986166 /nfs/dbraw/zinc/98/61/66/389986166.db2.gz PSQSPSWUEKNXGA-AVGNSLFASA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])C1=O ZINC000420341052 389986168 /nfs/dbraw/zinc/98/61/68/389986168.db2.gz PSQSPSWUEKNXGA-AVGNSLFASA-N 2 2 251.374 0.833 20 30 CCEDLP C[C@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)n1cc[nH+]c1 ZINC000566308502 390596653 /nfs/dbraw/zinc/59/66/53/390596653.db2.gz HQQGPHGOYRTPGX-DGCLKSJQSA-N 2 2 263.345 0.794 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000578713847 390898727 /nfs/dbraw/zinc/89/87/27/390898727.db2.gz BGJZWHBXKZNZSV-UKRRQHHQSA-N 2 2 290.411 0.965 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000578713847 390898729 /nfs/dbraw/zinc/89/87/29/390898729.db2.gz BGJZWHBXKZNZSV-UKRRQHHQSA-N 2 2 290.411 0.965 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000578713847 390898730 /nfs/dbraw/zinc/89/87/30/390898730.db2.gz BGJZWHBXKZNZSV-UKRRQHHQSA-N 2 2 290.411 0.965 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000578713847 390898732 /nfs/dbraw/zinc/89/87/32/390898732.db2.gz BGJZWHBXKZNZSV-UKRRQHHQSA-N 2 2 290.411 0.965 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000551713997 286124175 /nfs/dbraw/zinc/12/41/75/286124175.db2.gz POXLHYZBPGVWNL-UHFFFAOYSA-N 2 2 298.390 0.911 20 30 CCEDLP C=CC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662684291 414741204 /nfs/dbraw/zinc/74/12/04/414741204.db2.gz ZMFFKIRBMGZKNC-ZFWWWQNUSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662859447 414851874 /nfs/dbraw/zinc/85/18/74/414851874.db2.gz MXODOUJVUBBLGC-SQWLQELKSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662859447 414851880 /nfs/dbraw/zinc/85/18/80/414851880.db2.gz MXODOUJVUBBLGC-SQWLQELKSA-N 2 2 295.427 0.910 20 30 CCEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346975145 226000072 /nfs/dbraw/zinc/00/00/72/226000072.db2.gz UUSWSWKLLSXBHD-LBPRGKRZSA-N 2 2 264.373 0.432 20 30 CCEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346975145 226000076 /nfs/dbraw/zinc/00/00/76/226000076.db2.gz UUSWSWKLLSXBHD-LBPRGKRZSA-N 2 2 264.373 0.432 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070174453 260152647 /nfs/dbraw/zinc/15/26/47/260152647.db2.gz DFZXSVYPSDWXMD-QWRGUYRKSA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070174453 260152648 /nfs/dbraw/zinc/15/26/48/260152648.db2.gz DFZXSVYPSDWXMD-QWRGUYRKSA-N 2 2 268.361 0.057 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(C)C)C2)CC1 ZINC000490840462 261222941 /nfs/dbraw/zinc/22/29/41/261222941.db2.gz OKVCWSBSQMCGIW-HNNXBMFYSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)C)C2)CC1 ZINC000490840462 261222943 /nfs/dbraw/zinc/22/29/43/261222943.db2.gz OKVCWSBSQMCGIW-HNNXBMFYSA-N 2 2 277.412 0.742 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C#N)CC2)CC1 ZINC000057907867 262350570 /nfs/dbraw/zinc/35/05/70/262350570.db2.gz WASOVEAAIURFKW-ZDUSSCGKSA-N 2 2 278.400 0.775 20 30 CCEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC#N)C[C@@H]1C ZINC000330873482 264059441 /nfs/dbraw/zinc/05/94/41/264059441.db2.gz SIEUXJJNNXAZCW-RYUDHWBXSA-N 2 2 252.362 0.431 20 30 CCEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC#N)C[C@@H]1C ZINC000330873482 264059443 /nfs/dbraw/zinc/05/94/43/264059443.db2.gz SIEUXJJNNXAZCW-RYUDHWBXSA-N 2 2 252.362 0.431 20 30 CCEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC#N)C[C@@H]1C ZINC000330873482 264059445 /nfs/dbraw/zinc/05/94/45/264059445.db2.gz SIEUXJJNNXAZCW-RYUDHWBXSA-N 2 2 252.362 0.431 20 30 CCEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C[C@@H]1C ZINC000330873482 264059448 /nfs/dbraw/zinc/05/94/48/264059448.db2.gz SIEUXJJNNXAZCW-RYUDHWBXSA-N 2 2 252.362 0.431 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1cccn1C ZINC000160873342 264261806 /nfs/dbraw/zinc/26/18/06/264261806.db2.gz PSCVJURMANVQDY-UHFFFAOYSA-N 2 2 274.372 0.929 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369270013 267229863 /nfs/dbraw/zinc/22/98/63/267229863.db2.gz XJOWBZGXAGYUEA-CABCVRRESA-N 2 2 294.443 0.246 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369270013 267229867 /nfs/dbraw/zinc/22/98/67/267229867.db2.gz XJOWBZGXAGYUEA-CABCVRRESA-N 2 2 294.443 0.246 20 30 CCEDLP C#CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369374575 267239436 /nfs/dbraw/zinc/23/94/36/267239436.db2.gz SWXALDOTUKHXCJ-CYBMUJFWSA-N 2 2 278.400 0.477 20 30 CCEDLP C#CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369374575 267239437 /nfs/dbraw/zinc/23/94/37/267239437.db2.gz SWXALDOTUKHXCJ-CYBMUJFWSA-N 2 2 278.400 0.477 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371293265 267383169 /nfs/dbraw/zinc/38/31/69/267383169.db2.gz GDZJMIFRUVPIMD-BFHYXJOUSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371293265 267383172 /nfs/dbraw/zinc/38/31/72/267383172.db2.gz GDZJMIFRUVPIMD-BFHYXJOUSA-N 2 2 281.400 0.472 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNc2ncncc2C#N)CC1 ZINC000570958906 327962945 /nfs/dbraw/zinc/96/29/45/327962945.db2.gz SARVZNULQJNXPZ-UHFFFAOYSA-N 2 2 274.372 0.208 20 30 CCEDLP C[C@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000564847472 327011285 /nfs/dbraw/zinc/01/12/85/327011285.db2.gz NLCGEISQPKOKID-HZPDHXFCSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000564847472 327011286 /nfs/dbraw/zinc/01/12/86/327011286.db2.gz NLCGEISQPKOKID-HZPDHXFCSA-N 2 2 296.459 0.903 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582785567 329194914 /nfs/dbraw/zinc/19/49/14/329194914.db2.gz HDLINDSJIVSPDU-CQSZACIVSA-N 2 2 280.372 0.074 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582785567 329194916 /nfs/dbraw/zinc/19/49/16/329194916.db2.gz HDLINDSJIVSPDU-CQSZACIVSA-N 2 2 280.372 0.074 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)NC[C@]1(C)CCCO1 ZINC000261670412 329976774 /nfs/dbraw/zinc/97/67/74/329976774.db2.gz BXSFIHBPRUJVRL-ZDUSSCGKSA-N 2 2 254.378 0.426 20 30 CCEDLP C#CCNC(NCC[N@@H+]1CCOC(C)(C)C1)=[NH+]CC ZINC000262619625 330023220 /nfs/dbraw/zinc/02/32/20/330023220.db2.gz OIMCFCBWLGLALY-UHFFFAOYSA-N 2 2 266.389 0.286 20 30 CCEDLP C#CCNC(NCC[N@H+]1CCOC(C)(C)C1)=[NH+]CC ZINC000262619625 330023221 /nfs/dbraw/zinc/02/32/21/330023221.db2.gz OIMCFCBWLGLALY-UHFFFAOYSA-N 2 2 266.389 0.286 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCN[C@H]2C(=O)OCC)CC1 ZINC000422859565 330157693 /nfs/dbraw/zinc/15/76/93/330157693.db2.gz KJHJWTGGKZJYSG-UONOGXRCSA-N 2 2 281.400 0.520 20 30 CCEDLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1[NH+]1CCOCC1 ZINC000424157901 330305102 /nfs/dbraw/zinc/30/51/02/330305102.db2.gz RYJYYYZKXTZXOV-RDBSUJKOSA-N 2 2 294.399 0.187 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000424386800 330349622 /nfs/dbraw/zinc/34/96/22/330349622.db2.gz 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C=CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265504908 809793481 /nfs/dbraw/zinc/79/34/81/809793481.db2.gz NFQIHXDWEWNOKK-HAQNSBGRSA-N 2 2 262.357 0.776 20 30 CCEDLP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265792174 809855087 /nfs/dbraw/zinc/85/50/87/809855087.db2.gz JAZDTIOBFKIMMS-RYUDHWBXSA-N 2 2 260.341 0.173 20 30 CCEDLP C=CC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267649646 811616610 /nfs/dbraw/zinc/61/66/10/811616610.db2.gz URRLHERTJOQNEG-CYBMUJFWSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267649646 811616614 /nfs/dbraw/zinc/61/66/14/811616614.db2.gz URRLHERTJOQNEG-CYBMUJFWSA-N 2 2 251.374 0.847 20 30 CCEDLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC)[NH+](C)C ZINC001267715634 811678294 /nfs/dbraw/zinc/67/82/94/811678294.db2.gz GYQZCXCFOYTDNL-KKUMJFAQSA-N 2 2 293.411 0.262 20 30 CCEDLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC)[NH+](C)C ZINC001267715634 811678296 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C#CCC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001269140209 813235208 /nfs/dbraw/zinc/23/52/08/813235208.db2.gz DQQMDIHUEBFUKS-OAHLLOKOSA-N 2 2 288.395 0.860 20 30 CCEDLP C#CCC[NH2+][C@@H](CC)CNC(=O)Cc1c[nH+]cn1C ZINC001269491977 813390876 /nfs/dbraw/zinc/39/08/76/813390876.db2.gz HWCJLEWQLDGGKC-LBPRGKRZSA-N 2 2 262.357 0.470 20 30 CCEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167976385 813877969 /nfs/dbraw/zinc/87/79/69/813877969.db2.gz BPVYWKQKBYBEJP-ZDUSSCGKSA-N 2 2 292.383 0.334 20 30 CCEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167976385 813877977 /nfs/dbraw/zinc/87/79/77/813877977.db2.gz BPVYWKQKBYBEJP-ZDUSSCGKSA-N 2 2 292.383 0.334 20 30 CCEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170810 814438934 /nfs/dbraw/zinc/43/89/34/814438934.db2.gz INCOUOZMAYVKCZ-KGLIPLIRSA-N 2 2 288.395 0.929 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170810 814438938 /nfs/dbraw/zinc/43/89/38/814438938.db2.gz INCOUOZMAYVKCZ-KGLIPLIRSA-N 2 2 288.395 0.929 20 30 CCEDLP C#CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168499628 816892934 /nfs/dbraw/zinc/89/29/34/816892934.db2.gz JCKNFGMWHQAZJL-UHFFFAOYSA-N 2 2 260.341 0.392 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001031267755 816915670 /nfs/dbraw/zinc/91/56/70/816915670.db2.gz TYENQMGDYUMSDO-UHFFFAOYSA-N 2 2 272.352 0.585 20 30 CCEDLP Cc1nc(C#N)c(C#N)nc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735920 818540581 /nfs/dbraw/zinc/54/05/81/818540581.db2.gz IFOXMHPPWODHPP-UHFFFAOYSA-N 2 2 284.327 0.122 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001033160780 818587799 /nfs/dbraw/zinc/58/77/99/818587799.db2.gz IHZPPSRFUINURE-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033160780 818587804 /nfs/dbraw/zinc/58/78/04/818587804.db2.gz IHZPPSRFUINURE-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOC)C1 ZINC001033160780 818587810 /nfs/dbraw/zinc/58/78/10/818587810.db2.gz IHZPPSRFUINURE-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOC)C1 ZINC001033160780 818587815 /nfs/dbraw/zinc/58/78/15/818587815.db2.gz IHZPPSRFUINURE-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001044694855 818646195 /nfs/dbraw/zinc/64/61/95/818646195.db2.gz SSIPGMCORMDTRU-ZIAGYGMSSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001044880068 818837750 /nfs/dbraw/zinc/83/77/50/818837750.db2.gz XZTBBRJUTHZALB-QWHCGFSZSA-N 2 2 260.341 0.485 20 30 CCEDLP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148590 819096574 /nfs/dbraw/zinc/09/65/74/819096574.db2.gz LTLHNUDMMSWUBP-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148590 819096580 /nfs/dbraw/zinc/09/65/80/819096580.db2.gz LTLHNUDMMSWUBP-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148590 819096583 /nfs/dbraw/zinc/09/65/83/819096583.db2.gz LTLHNUDMMSWUBP-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148590 819096588 /nfs/dbraw/zinc/09/65/88/819096588.db2.gz LTLHNUDMMSWUBP-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034271333 819150055 /nfs/dbraw/zinc/15/00/55/819150055.db2.gz IAOINOTYLYFPFV-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034271333 819150059 /nfs/dbraw/zinc/15/00/59/819150059.db2.gz IAOINOTYLYFPFV-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034271333 819150064 /nfs/dbraw/zinc/15/00/64/819150064.db2.gz IAOINOTYLYFPFV-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034271333 819150068 /nfs/dbraw/zinc/15/00/68/819150068.db2.gz IAOINOTYLYFPFV-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547646 819240708 /nfs/dbraw/zinc/24/07/08/819240708.db2.gz WUUKKIAXVSASAU-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CCC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547646 819240712 /nfs/dbraw/zinc/24/07/12/819240712.db2.gz WUUKKIAXVSASAU-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001035365706 819489884 /nfs/dbraw/zinc/48/98/84/819489884.db2.gz KWEQVFMODKPKBL-HUUCEWRRSA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035365706 819489891 /nfs/dbraw/zinc/48/98/91/819489891.db2.gz KWEQVFMODKPKBL-HUUCEWRRSA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035365706 819489898 /nfs/dbraw/zinc/48/98/98/819489898.db2.gz KWEQVFMODKPKBL-HUUCEWRRSA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035365706 819489904 /nfs/dbraw/zinc/48/99/04/819489904.db2.gz KWEQVFMODKPKBL-HUUCEWRRSA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001036191143 819709125 /nfs/dbraw/zinc/70/91/25/819709125.db2.gz CEVNXFCAWTTZST-YPMHNXCESA-N 2 2 262.357 0.965 20 30 CCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108166266 819974146 /nfs/dbraw/zinc/97/41/46/819974146.db2.gz YIXGILPZECDGRF-INIZCTEOSA-N 2 2 295.427 0.559 20 30 CCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108166266 819974150 /nfs/dbraw/zinc/97/41/50/819974150.db2.gz YIXGILPZECDGRF-INIZCTEOSA-N 2 2 295.427 0.559 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138056 820903975 /nfs/dbraw/zinc/90/39/75/820903975.db2.gz NEVTVXCVCCYAEV-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138056 820903979 /nfs/dbraw/zinc/90/39/79/820903979.db2.gz NEVTVXCVCCYAEV-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138056 820903985 /nfs/dbraw/zinc/90/39/85/820903985.db2.gz NEVTVXCVCCYAEV-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138056 820903991 /nfs/dbraw/zinc/90/39/91/820903991.db2.gz NEVTVXCVCCYAEV-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091886 821197333 /nfs/dbraw/zinc/19/73/33/821197333.db2.gz UQKOBBWDUJJKOR-KFWWJZLASA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091886 821197338 /nfs/dbraw/zinc/19/73/38/821197338.db2.gz UQKOBBWDUJJKOR-KFWWJZLASA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091886 821197347 /nfs/dbraw/zinc/19/73/47/821197347.db2.gz UQKOBBWDUJJKOR-KFWWJZLASA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091886 821197353 /nfs/dbraw/zinc/19/73/53/821197353.db2.gz UQKOBBWDUJJKOR-KFWWJZLASA-N 2 2 293.411 0.045 20 30 CCEDLP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478040 837802416 /nfs/dbraw/zinc/80/24/16/837802416.db2.gz RCPRMGPTZARLTH-ZDUSSCGKSA-N 2 2 292.383 0.354 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491738 837805210 /nfs/dbraw/zinc/80/52/10/837805210.db2.gz ZTZXNDYHBDQMLC-GFCCVEGCSA-N 2 2 274.368 0.552 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491738 837805224 /nfs/dbraw/zinc/80/52/24/837805224.db2.gz ZTZXNDYHBDQMLC-GFCCVEGCSA-N 2 2 274.368 0.552 20 30 CCEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130484348 837808661 /nfs/dbraw/zinc/80/86/61/837808661.db2.gz LEGHFGLUOUJUFS-NSHDSACASA-N 2 2 282.775 0.904 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108421768 836068598 /nfs/dbraw/zinc/06/85/98/836068598.db2.gz VXHLOFWFETVUCK-OAHLLOKOSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108421768 836068609 /nfs/dbraw/zinc/06/86/09/836068609.db2.gz VXHLOFWFETVUCK-OAHLLOKOSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421768 836068622 /nfs/dbraw/zinc/06/86/22/836068622.db2.gz VXHLOFWFETVUCK-OAHLLOKOSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421768 836068632 /nfs/dbraw/zinc/06/86/32/836068632.db2.gz VXHLOFWFETVUCK-OAHLLOKOSA-N 2 2 283.416 0.720 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001157495377 837066171 /nfs/dbraw/zinc/06/61/71/837066171.db2.gz KFTCOILSLHEZML-ZBFHGGJFSA-N 2 2 271.364 0.852 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001157495377 837066183 /nfs/dbraw/zinc/06/61/83/837066183.db2.gz KFTCOILSLHEZML-ZBFHGGJFSA-N 2 2 271.364 0.852 20 30 CCEDLP COCC#CC[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270050 838029892 /nfs/dbraw/zinc/02/98/92/838029892.db2.gz AMBCRDLGIZKIKY-UHFFFAOYSA-N 2 2 286.335 0.304 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132353358 838365107 /nfs/dbraw/zinc/36/51/07/838365107.db2.gz FPEPMTJZEPKTTE-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132353358 838365113 /nfs/dbraw/zinc/36/51/13/838365113.db2.gz FPEPMTJZEPKTTE-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680550 839733156 /nfs/dbraw/zinc/73/31/56/839733156.db2.gz WKWIZEKMSKBUPJ-QWHCGFSZSA-N 2 2 292.383 0.470 20 30 CCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680550 839733165 /nfs/dbraw/zinc/73/31/65/839733165.db2.gz WKWIZEKMSKBUPJ-QWHCGFSZSA-N 2 2 292.383 0.470 20 30 CCEDLP N#C[C@H]1COCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160934087 840283813 /nfs/dbraw/zinc/28/38/13/840283813.db2.gz VNSBAVBWZURMNW-STQMWFEESA-N 2 2 274.324 0.010 20 30 CCEDLP C=C(C)CC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149123138 840324791 /nfs/dbraw/zinc/32/47/91/840324791.db2.gz GBEDDFGLJTXMQK-UHFFFAOYSA-N 2 2 250.346 0.933 20 30 CCEDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001147871830 840708920 /nfs/dbraw/zinc/70/89/20/840708920.db2.gz OAAVKDDBVKMNFI-UHFFFAOYSA-N 2 2 297.362 0.740 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036852076 841396943 /nfs/dbraw/zinc/39/69/43/841396943.db2.gz WQVPLEBQJHHJMV-KGLIPLIRSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036852076 841396954 /nfs/dbraw/zinc/39/69/54/841396954.db2.gz WQVPLEBQJHHJMV-KGLIPLIRSA-N 2 2 286.379 0.898 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036909969 841687939 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C#CC[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001323317293 912264550 /nfs/dbraw/zinc/26/45/50/912264550.db2.gz FCYKZRARBZQKKS-CQSZACIVSA-N 2 2 274.368 0.795 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001323317293 912264561 /nfs/dbraw/zinc/26/45/61/912264561.db2.gz FCYKZRARBZQKKS-CQSZACIVSA-N 2 2 274.368 0.795 20 30 CCEDLP C#CC[N@@H+](CCNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001481175218 892273784 /nfs/dbraw/zinc/27/37/84/892273784.db2.gz GJXWTWFBQJGBJM-UHFFFAOYSA-N 2 2 290.367 0.564 20 30 CCEDLP C#CC[N@H+](CCNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001481175218 892273801 /nfs/dbraw/zinc/27/38/01/892273801.db2.gz GJXWTWFBQJGBJM-UHFFFAOYSA-N 2 2 290.367 0.564 20 30 CCEDLP C#CCC[NH2+]CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001481232545 892405932 /nfs/dbraw/zinc/40/59/32/892405932.db2.gz FBYXCAIEMKOGTR-UHFFFAOYSA-N 2 2 288.395 0.833 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481595275 892882928 /nfs/dbraw/zinc/88/29/28/892882928.db2.gz VMJVZSSMVHHOAO-ZDUSSCGKSA-N 2 2 281.400 0.331 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001481595275 892882947 /nfs/dbraw/zinc/88/29/47/892882947.db2.gz VMJVZSSMVHHOAO-ZDUSSCGKSA-N 2 2 281.400 0.331 20 30 CCEDLP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481826137 893190529 /nfs/dbraw/zinc/19/05/29/893190529.db2.gz NRAPLGJIQLFNND-KGLIPLIRSA-N 2 2 288.395 0.953 20 30 CCEDLP C#CC[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001482113239 893405367 /nfs/dbraw/zinc/40/53/67/893405367.db2.gz JOEXJOJOIZYMPC-LBPRGKRZSA-N 2 2 275.352 0.608 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001482207138 893546056 /nfs/dbraw/zinc/54/60/56/893546056.db2.gz MSIASVPBDGFYCX-HNNXBMFYSA-N 2 2 295.427 0.865 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001482207138 893546073 /nfs/dbraw/zinc/54/60/73/893546073.db2.gz MSIASVPBDGFYCX-HNNXBMFYSA-N 2 2 295.427 0.865 20 30 CCEDLP C#CCC[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001483081643 894884453 /nfs/dbraw/zinc/88/44/53/894884453.db2.gz BIQYGRXTPJCLJH-AATRIKPKSA-N 2 2 260.341 0.248 20 30 CCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001484379987 896372421 /nfs/dbraw/zinc/37/24/21/896372421.db2.gz JENQASBPIRGCAT-STQMWFEESA-N 2 2 274.368 0.660 20 30 CCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001484908810 896661692 /nfs/dbraw/zinc/66/16/92/896661692.db2.gz BCYAAVVJUBHXCA-QWHCGFSZSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001485218358 896858153 /nfs/dbraw/zinc/85/81/53/896858153.db2.gz YBKUGPAAWAWMPX-NEPJUHHUSA-N 2 2 262.357 0.469 20 30 CCEDLP C=CC[N@@H+](C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001485333829 896954750 /nfs/dbraw/zinc/95/47/50/896954750.db2.gz KQJSYOYYTSNALO-GFCCVEGCSA-N 2 2 264.373 0.975 20 30 CCEDLP C=CC[N@H+](C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001485333829 896954755 /nfs/dbraw/zinc/95/47/55/896954755.db2.gz KQJSYOYYTSNALO-GFCCVEGCSA-N 2 2 264.373 0.975 20 30 CCEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001485645517 897163222 /nfs/dbraw/zinc/16/32/22/897163222.db2.gz VBRZATIWPKVEKZ-KGLIPLIRSA-N 2 2 290.367 0.112 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107954632 897588035 /nfs/dbraw/zinc/58/80/35/897588035.db2.gz TZOCXILNXNJZPD-IIAWOOMASA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107954632 897588047 /nfs/dbraw/zinc/58/80/47/897588047.db2.gz TZOCXILNXNJZPD-IIAWOOMASA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107954632 897588064 /nfs/dbraw/zinc/58/80/64/897588064.db2.gz TZOCXILNXNJZPD-IIAWOOMASA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107954632 897588083 /nfs/dbraw/zinc/58/80/83/897588083.db2.gz TZOCXILNXNJZPD-IIAWOOMASA-N 2 2 295.427 0.720 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408686 897883798 /nfs/dbraw/zinc/88/37/98/897883798.db2.gz XZASCIWLVVNSJE-ZIAGYGMSSA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408686 897883813 /nfs/dbraw/zinc/88/38/13/897883813.db2.gz XZASCIWLVVNSJE-ZIAGYGMSSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001485834404 898037279 /nfs/dbraw/zinc/03/72/79/898037279.db2.gz HBJXPOFWNLLSKS-HNNXBMFYSA-N 2 2 288.395 0.813 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759697 898122244 /nfs/dbraw/zinc/12/22/44/898122244.db2.gz ZPECPVGBYXETFM-KBPBESRZSA-N 2 2 274.368 0.824 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759697 898122254 /nfs/dbraw/zinc/12/22/54/898122254.db2.gz ZPECPVGBYXETFM-KBPBESRZSA-N 2 2 274.368 0.824 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001485893335 898492752 /nfs/dbraw/zinc/49/27/52/898492752.db2.gz JRRAYIWUMSWGIE-KBPBESRZSA-N 2 2 288.395 0.905 20 30 CCEDLP CC#CC[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001485949658 898516937 /nfs/dbraw/zinc/51/69/37/898516937.db2.gz CCIADPKIQJKZAL-CYBMUJFWSA-N 2 2 276.384 0.813 20 30 CCEDLP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001486118684 898674403 /nfs/dbraw/zinc/67/44/03/898674403.db2.gz HIBQCJHUNHVWLU-UONOGXRCSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001494626656 899168342 /nfs/dbraw/zinc/16/83/42/899168342.db2.gz ZFBKRUVDABMFGD-AWEZNQCLSA-N 2 2 293.411 0.026 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001488683327 900341085 /nfs/dbraw/zinc/34/10/85/900341085.db2.gz DOLGDBPPJDAOMB-CHWSQXEVSA-N 2 2 251.374 0.493 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001488683327 900341100 /nfs/dbraw/zinc/34/11/00/900341100.db2.gz DOLGDBPPJDAOMB-CHWSQXEVSA-N 2 2 251.374 0.493 20 30 CCEDLP C=CC[N@H+](CC)CCCNC(=O)Cc1c[nH+]cn1C ZINC001490355366 900615842 /nfs/dbraw/zinc/61/58/42/900615842.db2.gz IKIVWZAVDMYPEU-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP C=CC[N@@H+](CC)CCCNC(=O)Cc1c[nH+]cn1C ZINC001490355366 900615854 /nfs/dbraw/zinc/61/58/54/900615854.db2.gz IKIVWZAVDMYPEU-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001282215505 904433843 /nfs/dbraw/zinc/43/38/43/904433843.db2.gz BENKGUDWNMPYMT-QWRGUYRKSA-N 2 2 250.346 0.631 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001282877119 904558826 /nfs/dbraw/zinc/55/88/26/904558826.db2.gz NOUUHXAOADILQC-XYYAHUGASA-N 2 2 260.341 0.432 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001282877119 904558836 /nfs/dbraw/zinc/55/88/36/904558836.db2.gz NOUUHXAOADILQC-XYYAHUGASA-N 2 2 260.341 0.432 20 30 CCEDLP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001283556225 904906097 /nfs/dbraw/zinc/90/60/97/904906097.db2.gz ZKURMIFBSREPFS-CQSZACIVSA-N 2 2 276.384 0.975 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001283652583 904945263 /nfs/dbraw/zinc/94/52/63/904945263.db2.gz GWTNUCVFQJGDMO-ZDUSSCGKSA-N 2 2 262.357 0.733 20 30 CCEDLP CC#CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)CCOC ZINC001284666937 905412856 /nfs/dbraw/zinc/41/28/56/905412856.db2.gz BMHRKFJTUDULOO-UHFFFAOYSA-N 2 2 281.400 0.170 20 30 CCEDLP CC#CC[N@H+](CCNC(=O)C[NH+]1CCCC1)CCOC ZINC001284666937 905412863 /nfs/dbraw/zinc/41/28/63/905412863.db2.gz BMHRKFJTUDULOO-UHFFFAOYSA-N 2 2 281.400 0.170 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491859754 907607816 /nfs/dbraw/zinc/60/78/16/907607816.db2.gz YKDVSVZZKOPQBM-CQSZACIVSA-N 2 2 274.368 0.735 20 30 CCEDLP C#CCC[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001317279584 909113564 /nfs/dbraw/zinc/11/35/64/909113564.db2.gz CQUUXUZQWNOIFB-GFCCVEGCSA-N 2 2 262.357 0.470 20 30 CCEDLP C=CC[NH2+]CC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001320512318 910712754 /nfs/dbraw/zinc/71/27/54/910712754.db2.gz NOIUSXKVYSAGRQ-LBPRGKRZSA-N 2 2 250.346 0.944 20 30 CCEDLP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001321958161 911590634 /nfs/dbraw/zinc/59/06/34/911590634.db2.gz LNRULZVTZHGOPG-DZGCQCFKSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001321958161 911590645 /nfs/dbraw/zinc/59/06/45/911590645.db2.gz LNRULZVTZHGOPG-DZGCQCFKSA-N 2 2 295.427 0.910 20 30 CCEDLP CC#CC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001323100732 912117728 /nfs/dbraw/zinc/11/77/28/912117728.db2.gz RFVSFIQYQFHZGG-AWEZNQCLSA-N 2 2 274.368 0.768 20 30 CCEDLP C#CCC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001328039374 914936859 /nfs/dbraw/zinc/93/68/59/914936859.db2.gz RRETZDCTVFXPRQ-UHFFFAOYSA-N 2 2 288.395 0.957 20 30 CCEDLP N#CCCC[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001328143013 914993300 /nfs/dbraw/zinc/99/33/00/914993300.db2.gz LRVYUCVDCLQBDG-ZDUSSCGKSA-N 2 2 289.383 0.899 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001330950147 916983600 /nfs/dbraw/zinc/98/36/00/916983600.db2.gz ADDNJGMUFZQTTO-LBPRGKRZSA-N 2 2 297.399 0.553 20 30 CCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001332439298 918159239 /nfs/dbraw/zinc/15/92/39/918159239.db2.gz UTGIVBXMYWGDGF-CQSZACIVSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC001335456872 920206545 /nfs/dbraw/zinc/20/65/45/920206545.db2.gz IIGDOKFUSQIGRL-LLVKDONJSA-N 2 2 264.291 0.987 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)CCC2(O)CCC2)CC1 ZINC001336796276 921015034 /nfs/dbraw/zinc/01/50/34/921015034.db2.gz JHPJTOGHYNKXQG-OAHLLOKOSA-N 2 2 280.412 0.730 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001340503817 922102941 /nfs/dbraw/zinc/10/29/41/922102941.db2.gz QGFDFHSDPAZHKF-UHFFFAOYSA-N 2 2 285.391 0.862 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC001353321931 925796071 /nfs/dbraw/zinc/79/60/71/925796071.db2.gz CCLKILGTTJPVRG-AWEZNQCLSA-N 2 2 266.385 0.340 20 30 CCEDLP C#CC[NH2+]CC(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001353572851 925873572 /nfs/dbraw/zinc/87/35/72/925873572.db2.gz ZVPHMBOYAXSUHO-AWEZNQCLSA-N 2 2 293.411 0.359 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000600742004 362051595 /nfs/dbraw/zinc/05/15/95/362051595.db2.gz HXBOXURGYKAZTJ-ZIAGYGMSSA-N 2 2 281.400 0.478 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000600742004 362051601 /nfs/dbraw/zinc/05/16/01/362051601.db2.gz HXBOXURGYKAZTJ-ZIAGYGMSSA-N 2 2 281.400 0.478 20 30 CCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600754155 362054516 /nfs/dbraw/zinc/05/45/16/362054516.db2.gz DXROGZMRPZRSEE-HOTGVXAUSA-N 2 2 294.443 0.799 20 30 CCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600754155 362054518 /nfs/dbraw/zinc/05/45/18/362054518.db2.gz DXROGZMRPZRSEE-HOTGVXAUSA-N 2 2 294.443 0.799 20 30 CCEDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000358145057 529810002 /nfs/dbraw/zinc/81/00/02/529810002.db2.gz VVQKKWGTCUCLKM-AWEZNQCLSA-N 2 2 263.316 0.854 20 30 CCEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000358145057 529810003 /nfs/dbraw/zinc/81/00/03/529810003.db2.gz VVQKKWGTCUCLKM-AWEZNQCLSA-N 2 2 263.316 0.854 20 30 CCEDLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)CC#N)CC1 ZINC000602865208 362848692 /nfs/dbraw/zinc/84/86/92/362848692.db2.gz UQNZLCBUVXNAEL-NSHDSACASA-N 2 2 252.362 0.479 20 30 CCEDLP C[NH+]1CCN(CC/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000022033365 348080656 /nfs/dbraw/zinc/08/06/56/348080656.db2.gz DUVHXBWPTSQVGN-RVDMUPIBSA-N 2 2 263.341 0.764 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973296 349236542 /nfs/dbraw/zinc/23/65/42/349236542.db2.gz LFQHGCCGQDUMAW-NSHDSACASA-N 2 2 291.355 0.601 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973296 349236545 /nfs/dbraw/zinc/23/65/45/349236545.db2.gz LFQHGCCGQDUMAW-NSHDSACASA-N 2 2 291.355 0.601 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000124545601 350100303 /nfs/dbraw/zinc/10/03/03/350100303.db2.gz BIEBAZPFQGSQSZ-CHWSQXEVSA-N 2 2 251.374 0.999 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000124545601 350100304 /nfs/dbraw/zinc/10/03/04/350100304.db2.gz BIEBAZPFQGSQSZ-CHWSQXEVSA-N 2 2 251.374 0.999 20 30 CCEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000186064065 351475187 /nfs/dbraw/zinc/47/51/87/351475187.db2.gz IZOPVUVYZRIMFJ-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP Cn1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1C#N ZINC000191150615 351748661 /nfs/dbraw/zinc/74/86/61/351748661.db2.gz CGVGRZNOLNCPNT-UHFFFAOYSA-N 2 2 276.384 0.785 20 30 CCEDLP Cn1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1C#N ZINC000191150615 351748666 /nfs/dbraw/zinc/74/86/66/351748666.db2.gz CGVGRZNOLNCPNT-UHFFFAOYSA-N 2 2 276.384 0.785 20 30 CCEDLP N#Cc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603909645 363170461 /nfs/dbraw/zinc/17/04/61/363170461.db2.gz GWQJBIPFHJWNTF-GJZGRUSLSA-N 2 2 284.363 0.326 20 30 CCEDLP N#Cc1csc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000352844240 356095392 /nfs/dbraw/zinc/09/53/92/356095392.db2.gz DYWDPMHZNYCAFS-LLVKDONJSA-N 2 2 293.396 0.444 20 30 CCEDLP N#Cc1csc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000352844240 356095396 /nfs/dbraw/zinc/09/53/96/356095396.db2.gz DYWDPMHZNYCAFS-LLVKDONJSA-N 2 2 293.396 0.444 20 30 CCEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000584108442 359169364 /nfs/dbraw/zinc/16/93/64/359169364.db2.gz DVPBEOBSPFHOHY-UHFFFAOYSA-N 2 2 252.362 0.432 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3(C#N)CC3)C2)CC1 ZINC000590243078 359432808 /nfs/dbraw/zinc/43/28/08/359432808.db2.gz IEIXAVLNZPBARL-ZDUSSCGKSA-N 2 2 290.411 0.965 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3(C#N)CC3)C2)CC1 ZINC000590243078 359432811 /nfs/dbraw/zinc/43/28/11/359432811.db2.gz IEIXAVLNZPBARL-ZDUSSCGKSA-N 2 2 290.411 0.965 20 30 CCEDLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)CCO1 ZINC000594436676 360305641 /nfs/dbraw/zinc/30/56/41/360305641.db2.gz FGOKDMGAHWNEFI-STQMWFEESA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)CCO1 ZINC000594436676 360305644 /nfs/dbraw/zinc/30/56/44/360305644.db2.gz FGOKDMGAHWNEFI-STQMWFEESA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)CO1 ZINC000595940976 360717417 /nfs/dbraw/zinc/71/74/17/360717417.db2.gz XMRVFSHDQOPNRR-UPJWGTAASA-N 2 2 282.388 0.233 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)CO1 ZINC000595940976 360717422 /nfs/dbraw/zinc/71/74/22/360717422.db2.gz XMRVFSHDQOPNRR-UPJWGTAASA-N 2 2 282.388 0.233 20 30 CCEDLP C=CC(C)(C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000627121503 368812937 /nfs/dbraw/zinc/81/29/37/368812937.db2.gz WCVLRMNLPGPENK-LBPRGKRZSA-N 2 2 268.405 0.873 20 30 CCEDLP C=CC(C)(C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000627121503 368812941 /nfs/dbraw/zinc/81/29/41/368812941.db2.gz WCVLRMNLPGPENK-LBPRGKRZSA-N 2 2 268.405 0.873 20 30 CCEDLP CCC#C[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051676 376218147 /nfs/dbraw/zinc/21/81/47/376218147.db2.gz VOEHWZIJVXDIFS-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP CCC#C[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051676 376218152 /nfs/dbraw/zinc/21/81/52/376218152.db2.gz VOEHWZIJVXDIFS-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292062412 388944803 /nfs/dbraw/zinc/94/48/03/388944803.db2.gz CRFNYAMRSGUOOS-DOMZBBRYSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292062412 388944808 /nfs/dbraw/zinc/94/48/08/388944808.db2.gz CRFNYAMRSGUOOS-DOMZBBRYSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292062412 388944810 /nfs/dbraw/zinc/94/48/10/388944810.db2.gz CRFNYAMRSGUOOS-DOMZBBRYSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292062412 388944814 /nfs/dbraw/zinc/94/48/14/388944814.db2.gz CRFNYAMRSGUOOS-DOMZBBRYSA-N 2 2 294.399 0.414 20 30 CCEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCOCC1)c1ccccc1 ZINC000104153758 389079967 /nfs/dbraw/zinc/07/99/67/389079967.db2.gz IZKXAJQDIVOIJH-AWEZNQCLSA-N 2 2 276.384 0.936 20 30 CCEDLP CC#CC[N@@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000339749109 389138289 /nfs/dbraw/zinc/13/82/89/389138289.db2.gz GOGLQIQGPXNSBU-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP CC#CC[N@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000339749109 389138294 /nfs/dbraw/zinc/13/82/94/389138294.db2.gz GOGLQIQGPXNSBU-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000330559554 389240853 /nfs/dbraw/zinc/24/08/53/389240853.db2.gz HDJKKNXZGPAXTC-LLVKDONJSA-N 2 2 265.361 0.908 20 30 CCEDLP CC[N@H+]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000330559554 389240855 /nfs/dbraw/zinc/24/08/55/389240855.db2.gz HDJKKNXZGPAXTC-LLVKDONJSA-N 2 2 265.361 0.908 20 30 CCEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]21 ZINC000158489888 389343069 /nfs/dbraw/zinc/34/30/69/389343069.db2.gz LXPMXJOTWIMPOS-NEPJUHHUSA-N 2 2 250.346 0.042 20 30 CCEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]21 ZINC000158489888 389343072 /nfs/dbraw/zinc/34/30/72/389343072.db2.gz LXPMXJOTWIMPOS-NEPJUHHUSA-N 2 2 250.346 0.042 20 30 CCEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC000158489888 389343073 /nfs/dbraw/zinc/34/30/73/389343073.db2.gz LXPMXJOTWIMPOS-NEPJUHHUSA-N 2 2 250.346 0.042 20 30 CCEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC000158489888 389343076 /nfs/dbraw/zinc/34/30/76/389343076.db2.gz LXPMXJOTWIMPOS-NEPJUHHUSA-N 2 2 250.346 0.042 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150840789 389274325 /nfs/dbraw/zinc/27/43/25/389274325.db2.gz GPIKQSWZHKTCES-ZDUSSCGKSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150840789 389274328 /nfs/dbraw/zinc/27/43/28/389274328.db2.gz GPIKQSWZHKTCES-ZDUSSCGKSA-N 2 2 251.374 0.706 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365767512 389286305 /nfs/dbraw/zinc/28/63/05/389286305.db2.gz REIBPJHTWCHGNZ-GXTWGEPZSA-N 2 2 273.336 0.673 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365767512 389286306 /nfs/dbraw/zinc/28/63/06/389286306.db2.gz REIBPJHTWCHGNZ-GXTWGEPZSA-N 2 2 273.336 0.673 20 30 CCEDLP COC[C@@H](C)NC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000264084337 389305676 /nfs/dbraw/zinc/30/56/76/389305676.db2.gz JFDAFCQGPRBTMU-LLVKDONJSA-N 2 2 275.356 0.816 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000163322564 389427501 /nfs/dbraw/zinc/42/75/01/389427501.db2.gz HUEGXOJAFQYLTB-OAHLLOKOSA-N 2 2 294.443 0.391 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000163322564 389427504 /nfs/dbraw/zinc/42/75/04/389427504.db2.gz HUEGXOJAFQYLTB-OAHLLOKOSA-N 2 2 294.443 0.391 20 30 CCEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)CO)CC2)cc1 ZINC000276836873 389544287 /nfs/dbraw/zinc/54/42/87/389544287.db2.gz YHDAYDWRGOALNE-INIZCTEOSA-N 2 2 289.379 0.465 20 30 CCEDLP C[C@@H](C#N)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000182764257 389716285 /nfs/dbraw/zinc/71/62/85/389716285.db2.gz AEZXKUPLQMOERA-ZDUSSCGKSA-N 2 2 295.431 0.813 20 30 CCEDLP C[C@@H](C#N)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182764257 389716288 /nfs/dbraw/zinc/71/62/88/389716288.db2.gz AEZXKUPLQMOERA-ZDUSSCGKSA-N 2 2 295.431 0.813 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420382765 389995223 /nfs/dbraw/zinc/99/52/23/389995223.db2.gz DDQBNCZBSUUEJW-CHWSQXEVSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420382765 389995225 /nfs/dbraw/zinc/99/52/25/389995225.db2.gz DDQBNCZBSUUEJW-CHWSQXEVSA-N 2 2 294.399 0.462 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)OCCC[NH+]2CCOCC2)CC1 ZINC000490877547 390108297 /nfs/dbraw/zinc/10/82/97/390108297.db2.gz YKHQGOMCYXFRMA-UHFFFAOYSA-N 2 2 294.395 0.597 20 30 CCEDLP N#Cc1ccc2ncc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)n2c1 ZINC000537281297 390177104 /nfs/dbraw/zinc/17/71/04/390177104.db2.gz YXVPNCFUFYGEAZ-OAHLLOKOSA-N 2 2 299.378 0.752 20 30 CCEDLP C[NH+]1CCN(c2ccc(C[NH2+]CCC#N)cn2)CC1 ZINC000578089188 390864260 /nfs/dbraw/zinc/86/42/60/390864260.db2.gz CUSWVXYBVVFDEF-UHFFFAOYSA-N 2 2 259.357 0.837 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246285224 131092755 /nfs/dbraw/zinc/09/27/55/131092755.db2.gz ADNQURVMELNUDN-RYUDHWBXSA-N 2 2 282.388 0.270 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246285224 131092756 /nfs/dbraw/zinc/09/27/56/131092756.db2.gz ADNQURVMELNUDN-RYUDHWBXSA-N 2 2 282.388 0.270 20 30 CCEDLP C=CCC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687048 397656412 /nfs/dbraw/zinc/65/64/12/397656412.db2.gz GOVWUZKJVYVIBT-ZDUSSCGKSA-N 2 2 269.389 0.019 20 30 CCEDLP C=CCC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687048 397656416 /nfs/dbraw/zinc/65/64/16/397656416.db2.gz GOVWUZKJVYVIBT-ZDUSSCGKSA-N 2 2 269.389 0.019 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000653644647 412329663 /nfs/dbraw/zinc/32/96/63/412329663.db2.gz CIJCJYYQCIXNQF-GFCCVEGCSA-N 2 2 275.356 0.319 20 30 CCEDLP C=C(C)[C@@H](CO)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696787 414446602 /nfs/dbraw/zinc/44/66/02/414446602.db2.gz PLYZWLGNNUNXKN-CQSZACIVSA-N 2 2 270.417 0.996 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843867 267274065 /nfs/dbraw/zinc/27/40/65/267274065.db2.gz KQTQRHPJZCCEMZ-GFCCVEGCSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843867 267274068 /nfs/dbraw/zinc/27/40/68/267274068.db2.gz KQTQRHPJZCCEMZ-GFCCVEGCSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843867 267274071 /nfs/dbraw/zinc/27/40/71/267274071.db2.gz KQTQRHPJZCCEMZ-GFCCVEGCSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843867 267274073 /nfs/dbraw/zinc/27/40/73/267274073.db2.gz KQTQRHPJZCCEMZ-GFCCVEGCSA-N 2 2 282.388 0.272 20 30 CCEDLP C[C@H]1C[NH+]=C(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)N1 ZINC000261584700 327002464 /nfs/dbraw/zinc/00/24/64/327002464.db2.gz HYEYBPXURFMPLI-DZGCQCFKSA-N 2 2 288.395 0.825 20 30 CCEDLP C[C@H]1C[NH+]=C(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)N1 ZINC000261584700 327002466 /nfs/dbraw/zinc/00/24/66/327002466.db2.gz HYEYBPXURFMPLI-DZGCQCFKSA-N 2 2 288.395 0.825 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CCC([NH2+]CCOC)CC2)C1=O ZINC000569462577 327181857 /nfs/dbraw/zinc/18/18/57/327181857.db2.gz FDJSXQSPZQSXFR-CQSZACIVSA-N 2 2 281.400 0.474 20 30 CCEDLP CN1CC[NH+]=C1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000262683146 330026793 /nfs/dbraw/zinc/02/67/93/330026793.db2.gz XEWWBNBKMBVQBP-UHFFFAOYSA-N 2 2 288.395 0.910 20 30 CCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424158979 330305727 /nfs/dbraw/zinc/30/57/27/330305727.db2.gz RSPODYQMWBJTNY-GFCCVEGCSA-N 2 2 282.388 0.235 20 30 CCEDLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424158979 330305728 /nfs/dbraw/zinc/30/57/28/330305728.db2.gz RSPODYQMWBJTNY-GFCCVEGCSA-N 2 2 282.388 0.235 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000424382332 330349395 /nfs/dbraw/zinc/34/93/95/330349395.db2.gz SBLTYUQIGFJLAF-RQJABVFESA-N 2 2 254.374 0.934 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000424386797 330349689 /nfs/dbraw/zinc/34/96/89/330349689.db2.gz XYRYXHVYJJSFGD-XQLPTFJDSA-N 2 2 266.385 0.934 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000490713557 332107096 /nfs/dbraw/zinc/10/70/96/332107096.db2.gz KUEXTYGUJJLVQV-KBPBESRZSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000490713557 332107097 /nfs/dbraw/zinc/10/70/97/332107097.db2.gz KUEXTYGUJJLVQV-KBPBESRZSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C[C@@H]2CCCO2)CC1 ZINC000490740316 332110970 /nfs/dbraw/zinc/11/09/70/332110970.db2.gz JWOCKJWKPHMNOW-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C[C@@H]2CCCO2)CC1 ZINC000490740316 332110971 /nfs/dbraw/zinc/11/09/71/332110971.db2.gz JWOCKJWKPHMNOW-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000490740575 332111216 /nfs/dbraw/zinc/11/12/16/332111216.db2.gz LSUNAZGQEBIBDY-ZFWWWQNUSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000490740575 332111217 /nfs/dbraw/zinc/11/12/17/332111217.db2.gz LSUNAZGQEBIBDY-ZFWWWQNUSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000490740575 332111219 /nfs/dbraw/zinc/11/12/19/332111219.db2.gz LSUNAZGQEBIBDY-ZFWWWQNUSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000490740575 332111220 /nfs/dbraw/zinc/11/12/20/332111220.db2.gz LSUNAZGQEBIBDY-ZFWWWQNUSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](COC)C2)CC1 ZINC000490759328 332112633 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CC#CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895100271 613652672 /nfs/dbraw/zinc/65/26/72/613652672.db2.gz RIVAIQVGDJHTAY-HUUCEWRRSA-N 2 2 266.385 0.604 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968699584 613733552 /nfs/dbraw/zinc/73/35/52/613733552.db2.gz XSYUEEWQKXLZJL-CHWSQXEVSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968699584 613733553 /nfs/dbraw/zinc/73/35/53/613733553.db2.gz XSYUEEWQKXLZJL-CHWSQXEVSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1=O ZINC000879579665 613778360 /nfs/dbraw/zinc/77/83/60/613778360.db2.gz ASSJRHKMGXJEGV-IHRRRGAJSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1=O ZINC000879579665 613778363 /nfs/dbraw/zinc/77/83/63/613778363.db2.gz ASSJRHKMGXJEGV-IHRRRGAJSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879579665 613778366 /nfs/dbraw/zinc/77/83/66/613778366.db2.gz ASSJRHKMGXJEGV-IHRRRGAJSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879579665 613778369 /nfs/dbraw/zinc/77/83/69/613778369.db2.gz ASSJRHKMGXJEGV-IHRRRGAJSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884240312 613877195 /nfs/dbraw/zinc/87/71/95/613877195.db2.gz OTQXYEORMSDJJF-HNGCFSAESA-N 2 2 295.383 0.174 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000884229789 613877752 /nfs/dbraw/zinc/87/77/52/613877752.db2.gz AGCQPTBQYOKLMZ-STQMWFEESA-N 2 2 297.399 0.233 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000884229789 613877753 /nfs/dbraw/zinc/87/77/53/613877753.db2.gz AGCQPTBQYOKLMZ-STQMWFEESA-N 2 2 297.399 0.233 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000884280341 613877827 /nfs/dbraw/zinc/87/78/27/613877827.db2.gz IVQLCUWDQVAAHQ-WFASDCNBSA-N 2 2 295.383 0.035 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884195573 613878648 /nfs/dbraw/zinc/87/86/48/613878648.db2.gz RGQBKUVADKDOIB-YNEHKIRRSA-N 2 2 295.383 0.176 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884195573 613878649 /nfs/dbraw/zinc/87/86/49/613878649.db2.gz RGQBKUVADKDOIB-YNEHKIRRSA-N 2 2 295.383 0.176 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1coc(C#N)c1 ZINC000869241657 615880208 /nfs/dbraw/zinc/88/02/08/615880208.db2.gz CNTVNZUJRHSZOX-UHFFFAOYSA-N 2 2 278.356 0.765 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1coc(C#N)c1 ZINC000869241657 615880210 /nfs/dbraw/zinc/88/02/10/615880210.db2.gz CNTVNZUJRHSZOX-UHFFFAOYSA-N 2 2 278.356 0.765 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]12 ZINC001026410648 625437215 /nfs/dbraw/zinc/43/72/15/625437215.db2.gz MEYGQGXIQCRTAX-HZSPNIEDSA-N 2 2 286.379 0.720 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024807276 623449929 /nfs/dbraw/zinc/44/99/29/623449929.db2.gz AZYWDEPSAYSXIC-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024807276 623449933 /nfs/dbraw/zinc/44/99/33/623449933.db2.gz AZYWDEPSAYSXIC-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001020603618 624547690 /nfs/dbraw/zinc/54/76/90/624547690.db2.gz JKGKQLWBONGDNY-FDYHWXHSSA-N 2 2 274.368 0.946 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021679782 624807914 /nfs/dbraw/zinc/80/79/14/624807914.db2.gz SEKKFGDBOZYAHY-ZFWWWQNUSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001021679782 624807918 /nfs/dbraw/zinc/80/79/18/624807918.db2.gz SEKKFGDBOZYAHY-ZFWWWQNUSA-N 2 2 286.379 0.898 20 30 CCEDLP N#Cc1ccc([C@@H]2C[N@H+](CCOCC[NH3+])CCO2)cc1 ZINC000903824938 634658989 /nfs/dbraw/zinc/65/89/89/634658989.db2.gz VLEYKIANILCSRS-HNNXBMFYSA-N 2 2 275.352 0.907 20 30 CCEDLP N#Cc1ccc([C@@H]2C[N@@H+](CCOCC[NH3+])CCO2)cc1 ZINC000903824938 634658992 /nfs/dbraw/zinc/65/89/92/634658992.db2.gz VLEYKIANILCSRS-HNNXBMFYSA-N 2 2 275.352 0.907 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994506659 637955400 /nfs/dbraw/zinc/95/54/00/637955400.db2.gz LNFKGAWXSFZPRS-STQMWFEESA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994506659 637955405 /nfs/dbraw/zinc/95/54/05/637955405.db2.gz LNFKGAWXSFZPRS-STQMWFEESA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001000426641 639088264 /nfs/dbraw/zinc/08/82/64/639088264.db2.gz KBIOJGGYGCFFIR-OLZOCXBDSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001000426641 639088271 /nfs/dbraw/zinc/08/82/71/639088271.db2.gz KBIOJGGYGCFFIR-OLZOCXBDSA-N 2 2 274.368 0.802 20 30 CCEDLP C[C@@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000799490809 640577495 /nfs/dbraw/zinc/57/74/95/640577495.db2.gz ULWXEOXCEHDFGI-CYBMUJFWSA-N 2 2 280.416 0.911 20 30 CCEDLP C[C@@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000799490809 640577500 /nfs/dbraw/zinc/57/75/00/640577500.db2.gz ULWXEOXCEHDFGI-CYBMUJFWSA-N 2 2 280.416 0.911 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996333 650672119 /nfs/dbraw/zinc/67/21/19/650672119.db2.gz IMXWJDGEUJVMTF-GFCCVEGCSA-N 2 2 260.341 0.176 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996333 650672121 /nfs/dbraw/zinc/67/21/21/650672121.db2.gz IMXWJDGEUJVMTF-GFCCVEGCSA-N 2 2 260.341 0.176 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)C#CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000852902397 644050983 /nfs/dbraw/zinc/05/09/83/644050983.db2.gz FKTALOGMLNWGLK-UONOGXRCSA-N 2 2 293.411 0.215 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)C#CC2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000852902397 644050987 /nfs/dbraw/zinc/05/09/87/644050987.db2.gz FKTALOGMLNWGLK-UONOGXRCSA-N 2 2 293.411 0.215 20 30 CCEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])N2CCOCC2)C[C@H](C)O1 ZINC000104158941 648203359 /nfs/dbraw/zinc/20/33/59/648203359.db2.gz TVCZPLFTOKYWNK-BETUJISGSA-N 2 2 298.431 0.521 20 30 CCEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCOCC2)C[C@H](C)O1 ZINC000104158941 648203363 /nfs/dbraw/zinc/20/33/63/648203363.db2.gz TVCZPLFTOKYWNK-BETUJISGSA-N 2 2 298.431 0.521 20 30 CCEDLP COC[C@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000104160772 648203729 /nfs/dbraw/zinc/20/37/29/648203729.db2.gz CSSAKIFFTPGITM-UONOGXRCSA-N 2 2 299.463 0.198 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266608182 791017514 /nfs/dbraw/zinc/01/75/14/791017514.db2.gz YHROTMNPHMPVAG-HAQNSBGRSA-N 2 2 262.357 0.776 20 30 CCEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001277717518 805981803 /nfs/dbraw/zinc/98/18/03/805981803.db2.gz NQNRRKWGBRSRJD-CQSZACIVSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001277854361 806239262 /nfs/dbraw/zinc/23/92/62/806239262.db2.gz LWWIOFSFJPIADL-YNEHKIRRSA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001277854361 806239265 /nfs/dbraw/zinc/23/92/65/806239265.db2.gz LWWIOFSFJPIADL-YNEHKIRRSA-N 2 2 274.368 0.973 20 30 CCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277862659 806258746 /nfs/dbraw/zinc/25/87/46/806258746.db2.gz KNWVSAXUMXGVHG-QWHCGFSZSA-N 2 2 274.368 0.515 20 30 CCEDLP C#Cc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235062430 806364541 /nfs/dbraw/zinc/36/45/41/806364541.db2.gz MOZWUUAIHCTKRE-INIZCTEOSA-N 2 2 255.365 0.805 20 30 CCEDLP C#Cc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235062430 806364549 /nfs/dbraw/zinc/36/45/49/806364549.db2.gz MOZWUUAIHCTKRE-INIZCTEOSA-N 2 2 255.365 0.805 20 30 CCEDLP N#CCC[NH2+]CC(=O)N1CCC(C2CC[NH2+]CC2)CC1 ZINC001161210452 799988029 /nfs/dbraw/zinc/98/80/29/799988029.db2.gz WCMDEKTYRHTNTD-UHFFFAOYSA-N 2 2 278.400 0.728 20 30 CCEDLP C=CCCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814692 800461628 /nfs/dbraw/zinc/46/16/28/800461628.db2.gz JGFAVABWJSPUFW-OAHLLOKOSA-N 2 2 295.427 0.769 20 30 CCEDLP Cc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1C#N ZINC001157914614 801518860 /nfs/dbraw/zinc/51/88/60/801518860.db2.gz CCUGXFNCWFGMKD-UHFFFAOYSA-N 2 2 258.329 0.856 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161309363 802123858 /nfs/dbraw/zinc/12/38/58/802123858.db2.gz MIXXHKKXUFAJJZ-GFCCVEGCSA-N 2 2 260.341 0.175 20 30 CCEDLP C[NH+](C)C1(CNc2ncncc2C#N)CC[NH+](C)CC1 ZINC001164206732 802687557 /nfs/dbraw/zinc/68/75/57/802687557.db2.gz AKVJEZJKDMODLC-UHFFFAOYSA-N 2 2 274.372 0.208 20 30 CCEDLP Cc1[nH+]c2c(n1-c1nccnc1C#N)CC[NH2+]CC2 ZINC001165351268 802826638 /nfs/dbraw/zinc/82/66/38/802826638.db2.gz AEVRJVLBKIHCAW-UHFFFAOYSA-N 2 2 254.297 0.531 20 30 CCEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001269355711 813336429 /nfs/dbraw/zinc/33/64/29/813336429.db2.gz IRKMWSNMCXRWOS-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001269355711 813336435 /nfs/dbraw/zinc/33/64/35/813336435.db2.gz IRKMWSNMCXRWOS-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061612 803484707 /nfs/dbraw/zinc/48/47/07/803484707.db2.gz JJUNQXPWJDPDSR-CHWSQXEVSA-N 2 2 276.384 0.975 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061612 803484711 /nfs/dbraw/zinc/48/47/11/803484711.db2.gz JJUNQXPWJDPDSR-CHWSQXEVSA-N 2 2 276.384 0.975 20 30 CCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305420 803646824 /nfs/dbraw/zinc/64/68/24/803646824.db2.gz XSWJGTXFWGOVNZ-LBPRGKRZSA-N 2 2 260.341 0.556 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302867 803646895 /nfs/dbraw/zinc/64/68/95/803646895.db2.gz HSMWZBYRCQYSKU-GFCCVEGCSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211433066 803682044 /nfs/dbraw/zinc/68/20/44/803682044.db2.gz DXUOYYBOSXPKKN-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211433066 803682046 /nfs/dbraw/zinc/68/20/46/803682046.db2.gz DXUOYYBOSXPKKN-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217005693 803863669 /nfs/dbraw/zinc/86/36/69/803863669.db2.gz OONRCCKMAKOXNT-ZIAGYGMSSA-N 2 2 292.383 0.522 20 30 CCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC(C)(C)S ZINC001220484571 804613863 /nfs/dbraw/zinc/61/38/63/804613863.db2.gz KCDRGOLYZCEVMH-VIFPVBQESA-N 2 2 256.375 0.115 20 30 CCEDLP C#CC1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCCCC1 ZINC001221276371 804761621 /nfs/dbraw/zinc/76/16/21/804761621.db2.gz XCCZJFQZBHWGES-LBPRGKRZSA-N 2 2 260.341 0.732 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001221358955 804787194 /nfs/dbraw/zinc/78/71/94/804787194.db2.gz SBLYYJOCICITCQ-WFASDCNBSA-N 2 2 281.400 0.200 20 30 CCEDLP C#CCCC1(CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)N=N1 ZINC001221407573 804808294 /nfs/dbraw/zinc/80/82/94/804808294.db2.gz CXYZIIVCICKPQN-WZRBSPASSA-N 2 2 275.356 0.290 20 30 CCEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222104251 804871037 /nfs/dbraw/zinc/87/10/37/804871037.db2.gz HCPJRPXCNUUYGR-AWEZNQCLSA-N 2 2 290.367 0.114 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001276955728 805014097 /nfs/dbraw/zinc/01/40/97/805014097.db2.gz IKACDGIPEWIJPR-HUUCEWRRSA-N 2 2 295.427 0.413 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001276955728 805014106 /nfs/dbraw/zinc/01/41/06/805014106.db2.gz IKACDGIPEWIJPR-HUUCEWRRSA-N 2 2 295.427 0.413 20 30 CCEDLP C=CC[N@@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001278438886 807199036 /nfs/dbraw/zinc/19/90/36/807199036.db2.gz YIFJOVXMMHWHPT-AWEZNQCLSA-N 2 2 262.357 0.729 20 30 CCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001251855038 807722993 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C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(N)=O)cs1 ZINC000392760505 854094829 /nfs/dbraw/zinc/09/48/29/854094829.db2.gz KTEWMMILWOVGGB-UHFFFAOYSA-N 2 2 265.382 0.892 20 30 CCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(N)=O)cs1 ZINC000392760505 854094834 /nfs/dbraw/zinc/09/48/34/854094834.db2.gz KTEWMMILWOVGGB-UHFFFAOYSA-N 2 2 265.382 0.892 20 30 CCEDLP C#CCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001073151651 854537876 /nfs/dbraw/zinc/53/78/76/854537876.db2.gz WYBCVNXSUCMXRH-UHFFFAOYSA-N 2 2 286.379 0.818 20 30 CCEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001073151651 854537883 /nfs/dbraw/zinc/53/78/83/854537883.db2.gz WYBCVNXSUCMXRH-UHFFFAOYSA-N 2 2 286.379 0.818 20 30 CCEDLP C#CC[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100918508 855238723 /nfs/dbraw/zinc/23/87/23/855238723.db2.gz ZQDDEWYUOGPFFJ-UHFFFAOYSA-N 2 2 260.341 0.378 20 30 CCEDLP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001282927437 891564943 /nfs/dbraw/zinc/56/49/43/891564943.db2.gz GEMWEVMYTBUOGD-TZMCWYRMSA-N 2 2 292.383 0.354 20 30 CCEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482269201 893720797 /nfs/dbraw/zinc/72/07/97/893720797.db2.gz LTAHVBFGFOEDHI-RYUDHWBXSA-N 2 2 289.807 0.506 20 30 CCEDLP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001482342128 893891112 /nfs/dbraw/zinc/89/11/12/893891112.db2.gz ISLDKFSGUOFCBY-CYBMUJFWSA-N 2 2 283.416 0.720 20 30 CCEDLP CC#CC[NH2+]CCN(CC)C(=O)CCc1c[nH+]cn1C ZINC001482966879 894735079 /nfs/dbraw/zinc/73/50/79/894735079.db2.gz CKYJKNDLQASWAM-UHFFFAOYSA-N 2 2 276.384 0.814 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001483686643 895855338 /nfs/dbraw/zinc/85/53/38/895855338.db2.gz SUAGXUZWOMMZAX-OAHLLOKOSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001483686643 895855342 /nfs/dbraw/zinc/85/53/42/895855342.db2.gz SUAGXUZWOMMZAX-OAHLLOKOSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001484976005 896691556 /nfs/dbraw/zinc/69/15/56/896691556.db2.gz AZAXHTDMGYHNHC-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001484976005 896691559 /nfs/dbraw/zinc/69/15/59/896691559.db2.gz AZAXHTDMGYHNHC-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001077765508 897444527 /nfs/dbraw/zinc/44/45/27/897444527.db2.gz QRMMBJBYBHHSBV-CHWSQXEVSA-N 2 2 292.383 0.354 20 30 CCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001077765508 897444531 /nfs/dbraw/zinc/44/45/31/897444531.db2.gz QRMMBJBYBHHSBV-CHWSQXEVSA-N 2 2 292.383 0.354 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001032442914 897573955 /nfs/dbraw/zinc/57/39/55/897573955.db2.gz IXVHUFZDNPIYMC-JYJNAYRXSA-N 2 2 289.423 0.883 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032442914 897573974 /nfs/dbraw/zinc/57/39/74/897573974.db2.gz IXVHUFZDNPIYMC-JYJNAYRXSA-N 2 2 289.423 0.883 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032442914 897573988 /nfs/dbraw/zinc/57/39/88/897573988.db2.gz IXVHUFZDNPIYMC-JYJNAYRXSA-N 2 2 289.423 0.883 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032442914 897573997 /nfs/dbraw/zinc/57/39/97/897573997.db2.gz IXVHUFZDNPIYMC-JYJNAYRXSA-N 2 2 289.423 0.883 20 30 CCEDLP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001032473371 897617057 /nfs/dbraw/zinc/61/70/57/897617057.db2.gz MOABBSHTLFTNHU-CBBWQLFWSA-N 2 2 291.395 0.014 20 30 CCEDLP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001032473371 897617063 /nfs/dbraw/zinc/61/70/63/897617063.db2.gz MOABBSHTLFTNHU-CBBWQLFWSA-N 2 2 291.395 0.014 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473371 897617069 /nfs/dbraw/zinc/61/70/69/897617069.db2.gz MOABBSHTLFTNHU-CBBWQLFWSA-N 2 2 291.395 0.014 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473371 897617077 /nfs/dbraw/zinc/61/70/77/897617077.db2.gz MOABBSHTLFTNHU-CBBWQLFWSA-N 2 2 291.395 0.014 20 30 CCEDLP N#Cc1ccc(O)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205239796 897717411 /nfs/dbraw/zinc/71/74/11/897717411.db2.gz FWBZGMULHPHDHB-OAHLLOKOSA-N 2 2 275.352 0.940 20 30 CCEDLP N#Cc1ccc(O)c(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205239796 897717421 /nfs/dbraw/zinc/71/74/21/897717421.db2.gz FWBZGMULHPHDHB-OAHLLOKOSA-N 2 2 275.352 0.940 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032627597 897843887 /nfs/dbraw/zinc/84/38/87/897843887.db2.gz BBRVQKDLJBJAEC-KKUMJFAQSA-N 2 2 275.396 0.637 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032627597 897843895 /nfs/dbraw/zinc/84/38/95/897843895.db2.gz BBRVQKDLJBJAEC-KKUMJFAQSA-N 2 2 275.396 0.637 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001032627597 897843902 /nfs/dbraw/zinc/84/39/02/897843902.db2.gz BBRVQKDLJBJAEC-KKUMJFAQSA-N 2 2 275.396 0.637 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001032627597 897843913 /nfs/dbraw/zinc/84/39/13/897843913.db2.gz BBRVQKDLJBJAEC-KKUMJFAQSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001485836845 898151689 /nfs/dbraw/zinc/15/16/89/898151689.db2.gz JHDNGESADQQLMK-CYBMUJFWSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC#CC)CC1 ZINC001032800295 898371013 /nfs/dbraw/zinc/37/10/13/898371013.db2.gz GHQYPXATOROHKX-IRXDYDNUSA-N 2 2 299.418 0.640 20 30 CCEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001486010568 898605639 /nfs/dbraw/zinc/60/56/39/898605639.db2.gz LEHCKSXICAVHJS-STQMWFEESA-N 2 2 292.383 0.088 20 30 CCEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001326989326 914305326 /nfs/dbraw/zinc/30/53/26/914305326.db2.gz UUWNIONXNJBRCQ-AWEZNQCLSA-N 2 2 292.383 0.735 20 30 CCEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001326989326 914305343 /nfs/dbraw/zinc/30/53/43/914305343.db2.gz UUWNIONXNJBRCQ-AWEZNQCLSA-N 2 2 292.383 0.735 20 30 CCEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001327051022 914337076 /nfs/dbraw/zinc/33/70/76/914337076.db2.gz WNUZCFLGCBHAIU-LBPRGKRZSA-N 2 2 278.356 0.345 20 30 CCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001281750859 904343719 /nfs/dbraw/zinc/34/37/19/904343719.db2.gz GLGNAQJETXXZOO-NEPJUHHUSA-N 2 2 262.357 0.706 20 30 CCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001281750859 904343734 /nfs/dbraw/zinc/34/37/34/904343734.db2.gz GLGNAQJETXXZOO-NEPJUHHUSA-N 2 2 262.357 0.706 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001491583805 907420381 /nfs/dbraw/zinc/42/03/81/907420381.db2.gz QSNWVENPCYGBBU-YNEHKIRRSA-N 2 2 274.368 0.641 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001319210392 910040116 /nfs/dbraw/zinc/04/01/16/910040116.db2.gz YFEMFFQOTYOORP-KGLIPLIRSA-N 2 2 288.395 0.811 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001319321710 910095437 /nfs/dbraw/zinc/09/54/37/910095437.db2.gz DSBOMTAAZXKNKW-KGLIPLIRSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001319321710 910095454 /nfs/dbraw/zinc/09/54/54/910095454.db2.gz DSBOMTAAZXKNKW-KGLIPLIRSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CC[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320236654 910548401 /nfs/dbraw/zinc/54/84/01/910548401.db2.gz BOKZTTKSMPOXEP-NSHDSACASA-N 2 2 274.324 0.429 20 30 CCEDLP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320471743 910688428 /nfs/dbraw/zinc/68/84/28/910688428.db2.gz YHLLUJMWQCLVIJ-ZIAGYGMSSA-N 2 2 288.395 0.953 20 30 CCEDLP C#CC[NH2+]C1(C)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001328007181 914919655 /nfs/dbraw/zinc/91/96/55/914919655.db2.gz PCZDSJUNANLSMT-UHFFFAOYSA-N 2 2 288.395 0.957 20 30 CCEDLP C#CC[C@@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC001332021179 917807249 /nfs/dbraw/zinc/80/72/49/917807249.db2.gz HSQZKPFIJACJEQ-AWEZNQCLSA-N 2 2 282.384 0.378 20 30 CCEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC001336781674 921004334 /nfs/dbraw/zinc/00/43/34/921004334.db2.gz UKGFLTDSJKKPIE-LSDHHAIUSA-N 2 2 295.427 0.989 20 30 CCEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC001336781674 921004346 /nfs/dbraw/zinc/00/43/46/921004346.db2.gz UKGFLTDSJKKPIE-LSDHHAIUSA-N 2 2 295.427 0.989 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC001340168463 921994758 /nfs/dbraw/zinc/99/47/58/921994758.db2.gz NXEBFWAFCQLLIG-CHWSQXEVSA-N 2 2 269.389 0.507 20 30 CCEDLP C#CC[NH2+]CC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001341412606 922474030 /nfs/dbraw/zinc/47/40/30/922474030.db2.gz AEDYTEGUWKIDQV-CHWSQXEVSA-N 2 2 281.400 0.213 20 30 CCEDLP C#CCN(CC#CC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353466149 925841383 /nfs/dbraw/zinc/84/13/83/925841383.db2.gz DXMASQACXLCBCZ-UHFFFAOYSA-N 2 2 276.384 0.078 20 30 CCEDLP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330239634 282194887 /nfs/dbraw/zinc/19/48/87/282194887.db2.gz BDQOVBZJLGBUMG-VXGBXAGGSA-N 2 2 277.372 0.748 20 30 CCEDLP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(C#N)CCCCC2)CC1 ZINC000600754825 362055700 /nfs/dbraw/zinc/05/57/00/362055700.db2.gz CIWMWBWBWCYPCW-OAHLLOKOSA-N 2 2 294.443 0.658 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(C#N)ncn3)C2)CC1 ZINC000617952682 365856414 /nfs/dbraw/zinc/85/64/14/365856414.db2.gz WMSSHMWGABKKPZ-LBPRGKRZSA-N 2 2 286.383 0.929 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(C#N)ncn3)C2)CC1 ZINC000617952682 365856418 /nfs/dbraw/zinc/85/64/18/365856418.db2.gz WMSSHMWGABKKPZ-LBPRGKRZSA-N 2 2 286.383 0.929 20 30 CCEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)N1CC#N ZINC000602849224 362836420 /nfs/dbraw/zinc/83/64/20/362836420.db2.gz KFHMHWIOIKAKID-GUTXKFCHSA-N 2 2 280.416 0.360 20 30 CCEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)N1CC#N ZINC000602849224 362836423 /nfs/dbraw/zinc/83/64/23/362836423.db2.gz KFHMHWIOIKAKID-GUTXKFCHSA-N 2 2 280.416 0.360 20 30 CCEDLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H](C)N1CC#N ZINC000602849224 362836426 /nfs/dbraw/zinc/83/64/26/362836426.db2.gz KFHMHWIOIKAKID-GUTXKFCHSA-N 2 2 280.416 0.360 20 30 CCEDLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H](C)N1CC#N ZINC000602849224 362836430 /nfs/dbraw/zinc/83/64/30/362836430.db2.gz KFHMHWIOIKAKID-GUTXKFCHSA-N 2 2 280.416 0.360 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)CC#N)CC1 ZINC000602865639 362849716 /nfs/dbraw/zinc/84/97/16/362849716.db2.gz XAVBPMDXQDNLDZ-NEPJUHHUSA-N 2 2 252.362 0.431 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000037749227 348200948 /nfs/dbraw/zinc/20/09/48/348200948.db2.gz FZJKXKYNJSOHTO-UHFFFAOYSA-N 2 2 272.352 0.422 20 30 CCEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOCCC#N)C1 ZINC000602876664 362857879 /nfs/dbraw/zinc/85/78/79/362857879.db2.gz IJHOTCKPLNBGKF-CYBMUJFWSA-N 2 2 255.362 0.305 20 30 CCEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOCCC#N)C1 ZINC000602876664 362857881 /nfs/dbraw/zinc/85/78/81/362857881.db2.gz IJHOTCKPLNBGKF-CYBMUJFWSA-N 2 2 255.362 0.305 20 30 CCEDLP CC[C@H](C)NC(NCc1c[nH+]c(N(C)C)n1C)=[NH+]C ZINC000086969199 349344450 /nfs/dbraw/zinc/34/44/50/349344450.db2.gz QRNVWXZKJPIZJH-JTQLQIEISA-N 2 2 266.393 0.950 20 30 CCEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1C#N ZINC000232315277 352143522 /nfs/dbraw/zinc/14/35/22/352143522.db2.gz XNMCKDMSBQRREC-CQSZACIVSA-N 2 2 261.373 0.232 20 30 CCEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000232315277 352143525 /nfs/dbraw/zinc/14/35/25/352143525.db2.gz XNMCKDMSBQRREC-CQSZACIVSA-N 2 2 261.373 0.232 20 30 CCEDLP Cn1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1C#N ZINC000232315279 352143596 /nfs/dbraw/zinc/14/35/96/352143596.db2.gz XNMCKDMSBQRREC-AWEZNQCLSA-N 2 2 261.373 0.232 20 30 CCEDLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000232315279 352143598 /nfs/dbraw/zinc/14/35/98/352143598.db2.gz XNMCKDMSBQRREC-AWEZNQCLSA-N 2 2 261.373 0.232 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389957 363193545 /nfs/dbraw/zinc/19/35/45/363193545.db2.gz ZUWNTCBFRRBHDY-CQSZACIVSA-N 2 2 280.416 0.000 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604389957 363193551 /nfs/dbraw/zinc/19/35/51/363193551.db2.gz ZUWNTCBFRRBHDY-CQSZACIVSA-N 2 2 280.416 0.000 20 30 CCEDLP C=CCOCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354986804 356545023 /nfs/dbraw/zinc/54/50/23/356545023.db2.gz KVHJSASOBXYXDV-CQSZACIVSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCOCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354986804 356545024 /nfs/dbraw/zinc/54/50/24/356545024.db2.gz KVHJSASOBXYXDV-CQSZACIVSA-N 2 2 295.427 0.816 20 30 CCEDLP C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609921548 363529003 /nfs/dbraw/zinc/52/90/03/363529003.db2.gz KTRUJWRYLBVASU-VXGBXAGGSA-N 2 2 264.373 0.431 20 30 CCEDLP C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609921548 363529005 /nfs/dbraw/zinc/52/90/05/363529005.db2.gz KTRUJWRYLBVASU-VXGBXAGGSA-N 2 2 264.373 0.431 20 30 CCEDLP N#Cc1cccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000570726680 358889110 /nfs/dbraw/zinc/88/91/10/358889110.db2.gz FDZOFFYXJXWNRV-INIZCTEOSA-N 2 2 298.390 0.954 20 30 CCEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000570726680 358889116 /nfs/dbraw/zinc/88/91/16/358889116.db2.gz FDZOFFYXJXWNRV-INIZCTEOSA-N 2 2 298.390 0.954 20 30 CCEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000573545794 358976752 /nfs/dbraw/zinc/97/67/52/358976752.db2.gz QNSJFIIVSGVSPP-LBPRGKRZSA-N 2 2 291.330 0.804 20 30 CCEDLP C[N@H+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000573545794 358976757 /nfs/dbraw/zinc/97/67/57/358976757.db2.gz QNSJFIIVSGVSPP-LBPRGKRZSA-N 2 2 291.330 0.804 20 30 CCEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000573545793 358977370 /nfs/dbraw/zinc/97/73/70/358977370.db2.gz QNSJFIIVSGVSPP-GFCCVEGCSA-N 2 2 291.330 0.804 20 30 CCEDLP C[N@H+]1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@H](C[NH3+])C1 ZINC000573545793 358977373 /nfs/dbraw/zinc/97/73/73/358977373.db2.gz QNSJFIIVSGVSPP-GFCCVEGCSA-N 2 2 291.330 0.804 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000590643755 359503892 /nfs/dbraw/zinc/50/38/92/359503892.db2.gz GDEHSBZGDJIHCD-UHFFFAOYSA-N 2 2 278.400 0.822 20 30 CCEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000591733747 359649682 /nfs/dbraw/zinc/64/96/82/359649682.db2.gz HRBWHIWLJZYDMX-CABCVRRESA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000591733747 359649686 /nfs/dbraw/zinc/64/96/86/359649686.db2.gz HRBWHIWLJZYDMX-CABCVRRESA-N 2 2 289.379 0.982 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000297552635 200225677 /nfs/dbraw/zinc/22/56/77/200225677.db2.gz CIFSWDVPLBUFLB-UHFFFAOYSA-N 2 2 260.341 0.359 20 30 CCEDLP CC1(C)C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)CCO1 ZINC000594436906 360306161 /nfs/dbraw/zinc/30/61/61/360306161.db2.gz GRRKXFLQPQZAKW-ZDUSSCGKSA-N 2 2 296.415 0.625 20 30 CCEDLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)CCO1 ZINC000594436906 360306165 /nfs/dbraw/zinc/30/61/65/360306165.db2.gz GRRKXFLQPQZAKW-ZDUSSCGKSA-N 2 2 296.415 0.625 20 30 CCEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719780 361495576 /nfs/dbraw/zinc/49/55/76/361495576.db2.gz IOKVFJZSGLFVRE-ZIAGYGMSSA-N 2 2 283.416 0.988 20 30 CCEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719780 361495583 /nfs/dbraw/zinc/49/55/83/361495583.db2.gz IOKVFJZSGLFVRE-ZIAGYGMSSA-N 2 2 283.416 0.988 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000598729758 361499354 /nfs/dbraw/zinc/49/93/54/361499354.db2.gz MWNRTOFNNXLKBF-KGLIPLIRSA-N 2 2 283.416 0.724 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000598729758 361499361 /nfs/dbraw/zinc/49/93/61/361499361.db2.gz MWNRTOFNNXLKBF-KGLIPLIRSA-N 2 2 283.416 0.724 20 30 CCEDLP C=CC(C)(C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000627121502 368812273 /nfs/dbraw/zinc/81/22/73/368812273.db2.gz WCVLRMNLPGPENK-GFCCVEGCSA-N 2 2 268.405 0.873 20 30 CCEDLP C=CC(C)(C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000627121502 368812280 /nfs/dbraw/zinc/81/22/80/368812280.db2.gz WCVLRMNLPGPENK-GFCCVEGCSA-N 2 2 268.405 0.873 20 30 CCEDLP C=CC[NH+]1CCC(NS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641321739 376992970 /nfs/dbraw/zinc/99/29/70/376992970.db2.gz QUMLDMQPWGBSRL-UHFFFAOYSA-N 2 2 298.412 0.453 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072858137 388971077 /nfs/dbraw/zinc/97/10/77/388971077.db2.gz RPORWEIKAIFWEY-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072858137 388971080 /nfs/dbraw/zinc/97/10/80/388971080.db2.gz RPORWEIKAIFWEY-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858137 388971081 /nfs/dbraw/zinc/97/10/81/388971081.db2.gz RPORWEIKAIFWEY-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858137 388971086 /nfs/dbraw/zinc/97/10/86/388971086.db2.gz RPORWEIKAIFWEY-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP C=CC[N@@H+](CCOC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000191117567 389006856 /nfs/dbraw/zinc/00/68/56/389006856.db2.gz RNFZPYFLFFUZGZ-CQSZACIVSA-N 2 2 283.416 0.673 20 30 CCEDLP C=CC[N@H+](CCOC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000191117567 389006860 /nfs/dbraw/zinc/00/68/60/389006860.db2.gz RNFZPYFLFFUZGZ-CQSZACIVSA-N 2 2 283.416 0.673 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337199097 389053890 /nfs/dbraw/zinc/05/38/90/389053890.db2.gz YLZBETBKLWWESF-GJZGRUSLSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337199097 389053896 /nfs/dbraw/zinc/05/38/96/389053896.db2.gz YLZBETBKLWWESF-GJZGRUSLSA-N 2 2 293.411 0.427 20 30 CCEDLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cccc(C#N)c1 ZINC000314662154 389117522 /nfs/dbraw/zinc/11/75/22/389117522.db2.gz IEXDXCRVMYXNEZ-MRXNPFEDSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cccc(C#N)c1 ZINC000314662154 389117528 /nfs/dbraw/zinc/11/75/28/389117528.db2.gz IEXDXCRVMYXNEZ-MRXNPFEDSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000314662154 389117532 /nfs/dbraw/zinc/11/75/32/389117532.db2.gz IEXDXCRVMYXNEZ-MRXNPFEDSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000314662154 389117535 /nfs/dbraw/zinc/11/75/35/389117535.db2.gz IEXDXCRVMYXNEZ-MRXNPFEDSA-N 2 2 291.395 0.929 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478896 389130686 /nfs/dbraw/zinc/13/06/86/389130686.db2.gz ADNQURVMELNUDN-NWDGAFQWSA-N 2 2 282.388 0.270 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478896 389130687 /nfs/dbraw/zinc/13/06/87/389130687.db2.gz ADNQURVMELNUDN-NWDGAFQWSA-N 2 2 282.388 0.270 20 30 CCEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC000339438083 389133004 /nfs/dbraw/zinc/13/30/04/389133004.db2.gz VKKCIXJWTOHCAC-CYBMUJFWSA-N 2 2 250.346 0.044 20 30 CCEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC000339438083 389133007 /nfs/dbraw/zinc/13/30/07/389133007.db2.gz VKKCIXJWTOHCAC-CYBMUJFWSA-N 2 2 250.346 0.044 20 30 CCEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC000339438083 389133009 /nfs/dbraw/zinc/13/30/09/389133009.db2.gz VKKCIXJWTOHCAC-CYBMUJFWSA-N 2 2 250.346 0.044 20 30 CCEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC000339438083 389133012 /nfs/dbraw/zinc/13/30/12/389133012.db2.gz VKKCIXJWTOHCAC-CYBMUJFWSA-N 2 2 250.346 0.044 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000245413697 389206371 /nfs/dbraw/zinc/20/63/71/389206371.db2.gz BRORUQYJYXMNSZ-KGLIPLIRSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000245413697 389206373 /nfs/dbraw/zinc/20/63/73/389206373.db2.gz BRORUQYJYXMNSZ-KGLIPLIRSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000245413697 389206375 /nfs/dbraw/zinc/20/63/75/389206375.db2.gz BRORUQYJYXMNSZ-KGLIPLIRSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000245413697 389206377 /nfs/dbraw/zinc/20/63/77/389206377.db2.gz BRORUQYJYXMNSZ-KGLIPLIRSA-N 2 2 265.401 0.788 20 30 CCEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000346240137 389324527 /nfs/dbraw/zinc/32/45/27/389324527.db2.gz GRIFIXWUUFYHKF-STQMWFEESA-N 2 2 278.400 0.821 20 30 CCEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000346240137 389324529 /nfs/dbraw/zinc/32/45/29/389324529.db2.gz GRIFIXWUUFYHKF-STQMWFEESA-N 2 2 278.400 0.821 20 30 CCEDLP CCNC(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000264111632 389306870 /nfs/dbraw/zinc/30/68/70/389306870.db2.gz QWVYMJQFDGPDML-UHFFFAOYSA-N 2 2 293.390 0.872 20 30 CCEDLP C=CCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334245932 389463291 /nfs/dbraw/zinc/46/32/91/389463291.db2.gz SMVWBSVMSKYZQQ-CYBMUJFWSA-N 2 2 280.416 0.982 20 30 CCEDLP C=CCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000334245932 389463293 /nfs/dbraw/zinc/46/32/93/389463293.db2.gz SMVWBSVMSKYZQQ-CYBMUJFWSA-N 2 2 280.416 0.982 20 30 CCEDLP C[C@H](CCC#N)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000411323999 389424660 /nfs/dbraw/zinc/42/46/60/389424660.db2.gz JXRCWGKCLCUZLB-KGLIPLIRSA-N 2 2 278.400 0.917 20 30 CCEDLP C[C@H](CCC#N)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000411323999 389424661 /nfs/dbraw/zinc/42/46/61/389424661.db2.gz JXRCWGKCLCUZLB-KGLIPLIRSA-N 2 2 278.400 0.917 20 30 CCEDLP N#CC1(NC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCC1 ZINC000568167765 390712412 /nfs/dbraw/zinc/71/24/12/390712412.db2.gz NHGVSSQUSMGVQB-UHFFFAOYSA-N 2 2 288.355 0.094 20 30 CCEDLP C[NH+](CCNC[C@@H](O)C[N@H+](C)CCC#N)C1CCCC1 ZINC000578186525 390868924 /nfs/dbraw/zinc/86/89/24/390868924.db2.gz UMYWXGHRYRZCEH-OAHLLOKOSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+](CCNC[C@@H](O)C[N@@H+](C)CCC#N)C1CCCC1 ZINC000578186525 390868925 /nfs/dbraw/zinc/86/89/25/390868925.db2.gz UMYWXGHRYRZCEH-OAHLLOKOSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CNCC[N@H+](C)C1CCCC1 ZINC000578186525 390868926 /nfs/dbraw/zinc/86/89/26/390868926.db2.gz UMYWXGHRYRZCEH-OAHLLOKOSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CNCC[N@@H+](C)C1CCCC1 ZINC000578186525 390868927 /nfs/dbraw/zinc/86/89/27/390868927.db2.gz UMYWXGHRYRZCEH-OAHLLOKOSA-N 2 2 282.432 0.657 20 30 CCEDLP C=CCN1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000663304861 415040048 /nfs/dbraw/zinc/04/00/48/415040048.db2.gz UFYPRKKTUDYRBG-HUUCEWRRSA-N 2 2 293.411 0.616 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSCC#N)C2)CC1 ZINC000363338398 260074129 /nfs/dbraw/zinc/07/41/29/260074129.db2.gz FDXZQMBCBWFZSU-GFCCVEGCSA-N 2 2 296.440 0.528 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSCC#N)C2)CC1 ZINC000363338398 260074130 /nfs/dbraw/zinc/07/41/30/260074130.db2.gz FDXZQMBCBWFZSU-GFCCVEGCSA-N 2 2 296.440 0.528 20 30 CCEDLP NC(=[NH2+])NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000188136391 260073395 /nfs/dbraw/zinc/07/33/95/260073395.db2.gz GTPLGOOJBRVDFL-UHFFFAOYSA-N 2 2 252.749 0.972 20 30 CCEDLP NC(=[NH2+])NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000188136391 260073396 /nfs/dbraw/zinc/07/33/96/260073396.db2.gz GTPLGOOJBRVDFL-UHFFFAOYSA-N 2 2 252.749 0.972 20 30 CCEDLP CNC(=O)CNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261953333 262758601 /nfs/dbraw/zinc/75/86/01/262758601.db2.gz IBQSMJUKHJHYJS-RYUDHWBXSA-N 2 2 292.387 0.087 20 30 CCEDLP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001017440728 649854257 /nfs/dbraw/zinc/85/42/57/649854257.db2.gz IVNITAGQLVFDSW-ZNMIVQPWSA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001017440728 649854259 /nfs/dbraw/zinc/85/42/59/649854259.db2.gz IVNITAGQLVFDSW-ZNMIVQPWSA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017440728 649854261 /nfs/dbraw/zinc/85/42/61/649854261.db2.gz IVNITAGQLVFDSW-ZNMIVQPWSA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017440728 649854262 /nfs/dbraw/zinc/85/42/62/649854262.db2.gz IVNITAGQLVFDSW-ZNMIVQPWSA-N 2 2 293.411 0.568 20 30 CCEDLP [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C2CC2)CC1 ZINC000330246014 295387870 /nfs/dbraw/zinc/38/78/70/295387870.db2.gz DYOIGHWFIWLBLK-LBPRGKRZSA-N 2 2 289.383 0.892 20 30 CCEDLP CC1CC[NH+](CC(=O)NC2(C#N)CC[NH+](C)CC2)CC1 ZINC000531883354 328115261 /nfs/dbraw/zinc/11/52/61/328115261.db2.gz KHGUZNPRIRUOCV-UHFFFAOYSA-N 2 2 278.400 0.822 20 30 CCEDLP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171146148 329074887 /nfs/dbraw/zinc/07/48/87/329074887.db2.gz LBXSGUOKEVTEJI-LLVKDONJSA-N 2 2 256.394 0.800 20 30 CCEDLP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCOC(C)(C)C1 ZINC000171146148 329074888 /nfs/dbraw/zinc/07/48/88/329074888.db2.gz LBXSGUOKEVTEJI-LLVKDONJSA-N 2 2 256.394 0.800 20 30 CCEDLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000173640885 329150242 /nfs/dbraw/zinc/15/02/42/329150242.db2.gz UCZUSUWUYQBDBE-ZDUSSCGKSA-N 2 2 296.415 0.447 20 30 CCEDLP C#CCNC(NCCc1cn2c([nH+]1)CCCC2)=[NH+]CC ZINC000262642056 330024095 /nfs/dbraw/zinc/02/40/95/330024095.db2.gz PIXMAVUSSNXGJZ-UHFFFAOYSA-N 2 2 273.384 0.950 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000490761057 332113434 /nfs/dbraw/zinc/11/34/34/332113434.db2.gz RGEVQHDNBVTWDZ-GJZGRUSLSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C3CCC2CC3)CC1 ZINC000490838882 332119049 /nfs/dbraw/zinc/11/90/49/332119049.db2.gz FFVHVCVPLOWRNS-UHFFFAOYSA-N 2 2 261.369 0.391 20 30 CCEDLP C#CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490874664 332123752 /nfs/dbraw/zinc/12/37/52/332123752.db2.gz NHMLYTGKTWTGNJ-CYBMUJFWSA-N 2 2 281.381 0.314 20 30 CCEDLP C#CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490874664 332123753 /nfs/dbraw/zinc/12/37/53/332123753.db2.gz NHMLYTGKTWTGNJ-CYBMUJFWSA-N 2 2 281.381 0.314 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@](C)(COC)C2)CC1 ZINC000491463539 332216498 /nfs/dbraw/zinc/21/64/98/332216498.db2.gz NQLGNEWBYYSLHT-INIZCTEOSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](C)(COC)C2)CC1 ZINC000491463539 332216499 /nfs/dbraw/zinc/21/64/99/332216499.db2.gz NQLGNEWBYYSLHT-INIZCTEOSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](SC)C2)CC1 ZINC000491644540 332262872 /nfs/dbraw/zinc/26/28/72/332262872.db2.gz KKXGUKNQLDFYEN-ZDUSSCGKSA-N 2 2 281.425 0.201 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](SC)C2)CC1 ZINC000491644540 332262873 /nfs/dbraw/zinc/26/28/73/332262873.db2.gz KKXGUKNQLDFYEN-ZDUSSCGKSA-N 2 2 281.425 0.201 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H](C)CC2)CC1 ZINC000491741875 332320377 /nfs/dbraw/zinc/32/03/77/332320377.db2.gz VYBZQDZBSOFNHJ-CQSZACIVSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H](C)CC2)CC1 ZINC000491741875 332320378 /nfs/dbraw/zinc/32/03/78/332320378.db2.gz VYBZQDZBSOFNHJ-CQSZACIVSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000491768051 332335449 /nfs/dbraw/zinc/33/54/49/332335449.db2.gz JYDCTHLANQEJEY-CQSZACIVSA-N 2 2 277.412 0.932 20 30 CCEDLP C=CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175514259 335186807 /nfs/dbraw/zinc/18/68/07/335186807.db2.gz DZDKVUIHDHZYBC-UHFFFAOYSA-N 2 2 254.378 0.498 20 30 CCEDLP C=CCCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665940863 545110266 /nfs/dbraw/zinc/11/02/66/545110266.db2.gz OGLLJGMGZKEWEX-UHFFFAOYSA-N 2 2 256.394 0.745 20 30 CCEDLP C=CCCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665940863 545110267 /nfs/dbraw/zinc/11/02/67/545110267.db2.gz OGLLJGMGZKEWEX-UHFFFAOYSA-N 2 2 256.394 0.745 20 30 CCEDLP CC[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330244937 529108008 /nfs/dbraw/zinc/10/80/08/529108008.db2.gz DMOLVWBBKHJRIR-GFCCVEGCSA-N 2 2 277.372 0.749 20 30 CCEDLP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000677802143 545372928 /nfs/dbraw/zinc/37/29/28/545372928.db2.gz BQKORTNOZCDHLZ-KGLIPLIRSA-N 2 2 254.374 0.578 20 30 CCEDLP C=C(C)[C@H](CO)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000677802143 545372929 /nfs/dbraw/zinc/37/29/29/545372929.db2.gz BQKORTNOZCDHLZ-KGLIPLIRSA-N 2 2 254.374 0.578 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C3CC3)CC2)CC1 ZINC000794893706 581390384 /nfs/dbraw/zinc/39/03/84/581390384.db2.gz PIGYNBYMATZKLL-UHFFFAOYSA-N 2 2 289.423 0.886 20 30 CCEDLP CN(C(=O)NCCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000787370240 581469251 /nfs/dbraw/zinc/46/92/51/581469251.db2.gz HXEMZRZOOHJONE-CQSZACIVSA-N 2 2 293.415 0.710 20 30 CCEDLP CN(C(=O)NCCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000787370240 581469252 /nfs/dbraw/zinc/46/92/52/581469252.db2.gz HXEMZRZOOHJONE-CQSZACIVSA-N 2 2 293.415 0.710 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770027251 581725469 /nfs/dbraw/zinc/72/54/69/581725469.db2.gz HCZYGYRILGDCOR-GFCCVEGCSA-N 2 2 260.341 0.349 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770027251 581725473 /nfs/dbraw/zinc/72/54/73/581725473.db2.gz HCZYGYRILGDCOR-GFCCVEGCSA-N 2 2 260.341 0.349 20 30 CCEDLP C#CCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000746489832 581916343 /nfs/dbraw/zinc/91/63/43/581916343.db2.gz PMEPECRSBXKWCX-ZDUSSCGKSA-N 2 2 251.374 0.400 20 30 CCEDLP C#CCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000746489832 581916345 /nfs/dbraw/zinc/91/63/45/581916345.db2.gz PMEPECRSBXKWCX-ZDUSSCGKSA-N 2 2 251.374 0.400 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000746489832 581916347 /nfs/dbraw/zinc/91/63/47/581916347.db2.gz PMEPECRSBXKWCX-ZDUSSCGKSA-N 2 2 251.374 0.400 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000746489832 581916349 /nfs/dbraw/zinc/91/63/49/581916349.db2.gz PMEPECRSBXKWCX-ZDUSSCGKSA-N 2 2 251.374 0.400 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961738607 613044250 /nfs/dbraw/zinc/04/42/50/613044250.db2.gz WXYKMQUZXGJXFX-RMRHIDDWSA-N 2 2 298.390 0.899 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961738607 613044252 /nfs/dbraw/zinc/04/42/52/613044252.db2.gz WXYKMQUZXGJXFX-RMRHIDDWSA-N 2 2 298.390 0.899 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972308384 613091894 /nfs/dbraw/zinc/09/18/94/613091894.db2.gz TWOQLPHLRNQMPJ-QWHCGFSZSA-N 2 2 286.379 0.996 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972308384 613091896 /nfs/dbraw/zinc/09/18/96/613091896.db2.gz TWOQLPHLRNQMPJ-QWHCGFSZSA-N 2 2 286.379 0.996 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000969836656 613116716 /nfs/dbraw/zinc/11/67/16/613116716.db2.gz NSZXHVLBROBEDM-OCCSQVGLSA-N 2 2 286.379 0.830 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969836657 613117479 /nfs/dbraw/zinc/11/74/79/613117479.db2.gz NSZXHVLBROBEDM-TZMCWYRMSA-N 2 2 286.379 0.830 20 30 CCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970012445 613124783 /nfs/dbraw/zinc/12/47/83/613124783.db2.gz MTEAFFVWWBIUCC-NSHDSACASA-N 2 2 290.367 0.420 20 30 CCEDLP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968797027 613145845 /nfs/dbraw/zinc/14/58/45/613145845.db2.gz RBTZVWASLWJQPB-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968797027 613145847 /nfs/dbraw/zinc/14/58/47/613145847.db2.gz RBTZVWASLWJQPB-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968797027 613145848 /nfs/dbraw/zinc/14/58/48/613145848.db2.gz RBTZVWASLWJQPB-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000923566619 613173193 /nfs/dbraw/zinc/17/31/93/613173193.db2.gz MPHAJAWXFSKTRP-HUUCEWRRSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000923566619 613173197 /nfs/dbraw/zinc/17/31/97/613173197.db2.gz MPHAJAWXFSKTRP-HUUCEWRRSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000923574094 613181721 /nfs/dbraw/zinc/18/17/21/613181721.db2.gz DYIWEVGYKWZUAO-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000923574094 613181723 /nfs/dbraw/zinc/18/17/23/613181723.db2.gz DYIWEVGYKWZUAO-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(NC[C@@H](C)O)[nH+]cn2)C1 ZINC000884612215 613193544 /nfs/dbraw/zinc/19/35/44/613193544.db2.gz HIHWCWBQRLBIJW-OLZOCXBDSA-N 2 2 289.383 0.779 20 30 CCEDLP 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COc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1C#N ZINC001158203809 801591703 /nfs/dbraw/zinc/59/17/03/801591703.db2.gz QFYNUIWCZMLBPX-SNVBAGLBSA-N 2 2 273.296 0.010 20 30 CCEDLP N#Cc1nccnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258923 801608228 /nfs/dbraw/zinc/60/82/28/801608228.db2.gz MCBRSNAQXMAWFC-LLVKDONJSA-N 2 2 272.356 0.350 20 30 CCEDLP N#Cc1nccnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258923 801608230 /nfs/dbraw/zinc/60/82/30/801608230.db2.gz MCBRSNAQXMAWFC-LLVKDONJSA-N 2 2 272.356 0.350 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001278315519 806946497 /nfs/dbraw/zinc/94/64/97/806946497.db2.gz MDGBOPWWPJBIJR-UKRRQHHQSA-N 2 2 288.395 0.955 20 30 CCEDLP N#Cc1cc(Cl)nnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160511112 801955072 /nfs/dbraw/zinc/95/50/72/801955072.db2.gz LIMWYUBBEZUVDN-ZDUSSCGKSA-N 2 2 292.774 0.837 20 30 CCEDLP N#C[C@@H]1C[NH2+]CCN1c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001164653001 802776576 /nfs/dbraw/zinc/77/65/76/802776576.db2.gz YKJGTXFCWNUNRM-SECBINFHSA-N 2 2 277.759 0.682 20 30 CCEDLP N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)c2c1 ZINC001205959992 803191898 /nfs/dbraw/zinc/19/18/98/803191898.db2.gz WDONSDZLNLTJMR-UKRRQHHQSA-N 2 2 270.336 0.933 20 30 CCEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)c2c1 ZINC001205959992 803191902 /nfs/dbraw/zinc/19/19/02/803191902.db2.gz WDONSDZLNLTJMR-UKRRQHHQSA-N 2 2 270.336 0.933 20 30 CCEDLP Cn1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc1C#N ZINC001207106765 803352967 /nfs/dbraw/zinc/35/29/67/803352967.db2.gz SGKSYYVAWABPMV-UHFFFAOYSA-N 2 2 289.427 0.966 20 30 CCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001276549157 803464751 /nfs/dbraw/zinc/46/47/51/803464751.db2.gz QTMMGHCAZSQHLH-INIZCTEOSA-N 2 2 295.427 0.818 20 30 CCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001276549157 803464752 /nfs/dbraw/zinc/46/47/52/803464752.db2.gz QTMMGHCAZSQHLH-INIZCTEOSA-N 2 2 295.427 0.818 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001276549157 803464754 /nfs/dbraw/zinc/46/47/54/803464754.db2.gz QTMMGHCAZSQHLH-INIZCTEOSA-N 2 2 295.427 0.818 20 30 CCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001276549157 803464757 /nfs/dbraw/zinc/46/47/57/803464757.db2.gz QTMMGHCAZSQHLH-INIZCTEOSA-N 2 2 295.427 0.818 20 30 CCEDLP C#CCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209265862 803584992 /nfs/dbraw/zinc/58/49/92/803584992.db2.gz LXQRXWKYBSKEPV-UHFFFAOYSA-N 2 2 265.401 0.350 20 30 CCEDLP N#Cc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)ccc1O ZINC001218954465 804165962 /nfs/dbraw/zinc/16/59/62/804165962.db2.gz MUNJNROGCFQRGP-UHFFFAOYSA-N 2 2 274.324 0.544 20 30 CCEDLP COc1ccc(C#N)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218979611 804172960 /nfs/dbraw/zinc/17/29/60/804172960.db2.gz QVVPAORRAYDFCQ-UHFFFAOYSA-N 2 2 274.324 0.586 20 30 CCEDLP CNc1ccc(C#N)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218981205 804173752 /nfs/dbraw/zinc/17/37/52/804173752.db2.gz OVQLHCXNRQHAIE-UHFFFAOYSA-N 2 2 273.340 0.619 20 30 CCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cccc(CC#N)c1 ZINC001218987544 804174407 /nfs/dbraw/zinc/17/44/07/804174407.db2.gz JBUYFGUITXPWGR-AWEZNQCLSA-N 2 2 283.335 0.995 20 30 CCEDLP N#Cc1ccccc1OCCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220685497 804650323 /nfs/dbraw/zinc/65/03/23/804650323.db2.gz YLCPAERAUFBIQF-OLZOCXBDSA-N 2 2 288.351 0.133 20 30 CCEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220868160 804684303 /nfs/dbraw/zinc/68/43/03/804684303.db2.gz DABUCKJPRMFLIE-AWEZNQCLSA-N 3 2 280.416 0.095 20 30 CCEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220868160 804684307 /nfs/dbraw/zinc/68/43/07/804684307.db2.gz DABUCKJPRMFLIE-AWEZNQCLSA-N 3 2 280.416 0.095 20 30 CCEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc(C[NH3+])s1 ZINC001220868717 804685166 /nfs/dbraw/zinc/68/51/66/804685166.db2.gz PYKRIMRYOJFFBC-JTQLQIEISA-N 2 2 280.397 0.982 20 30 CCEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnc(C[NH3+])s1 ZINC001220868717 804685169 /nfs/dbraw/zinc/68/51/69/804685169.db2.gz PYKRIMRYOJFFBC-JTQLQIEISA-N 2 2 280.397 0.982 20 30 CCEDLP C#CC1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCCCC1 ZINC001221276233 804761673 /nfs/dbraw/zinc/76/16/73/804761673.db2.gz UFTINAVIDKUZTH-IUODEOHRSA-N 2 2 261.369 0.390 20 30 CCEDLP N#CC1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)Cc2ccccc2C1 ZINC001221367301 804788540 /nfs/dbraw/zinc/78/85/40/804788540.db2.gz OONCBYJBWHQVTB-CPUCHLNUSA-N 2 2 296.374 0.386 20 30 CCEDLP C#CC[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223043336 804949304 /nfs/dbraw/zinc/94/93/04/804949304.db2.gz MMJBMHLKCCRPBK-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001277063569 805151021 /nfs/dbraw/zinc/15/10/21/805151021.db2.gz ZXSQTVUJFSAWAL-HAQNSBGRSA-N 2 2 260.341 0.460 20 30 CCEDLP C=CCOC[C@H](O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001252466894 807878017 /nfs/dbraw/zinc/87/80/17/807878017.db2.gz SWVSSEDDSPETBP-CQSZACIVSA-N 2 2 256.390 0.966 20 30 CCEDLP C=CCOC[C@H](O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001252466894 807878024 /nfs/dbraw/zinc/87/80/24/807878024.db2.gz SWVSSEDDSPETBP-CQSZACIVSA-N 2 2 256.390 0.966 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295439 815274222 /nfs/dbraw/zinc/27/42/22/815274222.db2.gz KUGVURRFQSGTGA-GXTWGEPZSA-N 2 2 272.352 0.508 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295439 815274228 /nfs/dbraw/zinc/27/42/28/815274228.db2.gz KUGVURRFQSGTGA-GXTWGEPZSA-N 2 2 272.352 0.508 20 30 CCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001265359618 809763818 /nfs/dbraw/zinc/76/38/18/809763818.db2.gz ACLKTJNCOXFXHL-KBPBESRZSA-N 2 2 286.379 0.563 20 30 CCEDLP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001265685799 809825664 /nfs/dbraw/zinc/82/56/64/809825664.db2.gz DGIFHQRUJJZGAW-CYBMUJFWSA-N 2 2 274.368 0.946 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001266031374 809922208 /nfs/dbraw/zinc/92/22/08/809922208.db2.gz BEKIWIUCSOZNOG-AWEZNQCLSA-N 2 2 288.395 0.814 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001267307633 811130950 /nfs/dbraw/zinc/13/09/50/811130950.db2.gz VGVGNCZHRTYPBF-CYBMUJFWSA-N 2 2 274.368 0.424 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001267307633 811130956 /nfs/dbraw/zinc/13/09/56/811130956.db2.gz VGVGNCZHRTYPBF-CYBMUJFWSA-N 2 2 274.368 0.424 20 30 CCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267623589 811581039 /nfs/dbraw/zinc/58/10/39/811581039.db2.gz SULJVSRRDXPPMP-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267623589 811581042 /nfs/dbraw/zinc/58/10/42/811581042.db2.gz SULJVSRRDXPPMP-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267623589 811581046 /nfs/dbraw/zinc/58/10/46/811581046.db2.gz SULJVSRRDXPPMP-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267623589 811581048 /nfs/dbraw/zinc/58/10/48/811581048.db2.gz SULJVSRRDXPPMP-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C=CCCC[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001267693778 811658107 /nfs/dbraw/zinc/65/81/07/811658107.db2.gz QCWICFOEJNYOLU-UHFFFAOYSA-N 2 2 262.357 0.966 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077312146 815478337 /nfs/dbraw/zinc/47/83/37/815478337.db2.gz PUEMTFIZANNZFE-HUUCEWRRSA-N 2 2 298.346 0.133 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077312146 815478342 /nfs/dbraw/zinc/47/83/42/815478342.db2.gz PUEMTFIZANNZFE-HUUCEWRRSA-N 2 2 298.346 0.133 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027984400 812193654 /nfs/dbraw/zinc/19/36/54/812193654.db2.gz NXANIUIFJUOKLS-GFCCVEGCSA-N 2 2 290.367 0.564 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027984400 812193662 /nfs/dbraw/zinc/19/36/62/812193662.db2.gz NXANIUIFJUOKLS-GFCCVEGCSA-N 2 2 290.367 0.564 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605264 812966147 /nfs/dbraw/zinc/96/61/47/812966147.db2.gz PMVMYQKYFINEHO-YNEHKIRRSA-N 2 2 272.352 0.585 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605264 812966153 /nfs/dbraw/zinc/96/61/53/812966153.db2.gz PMVMYQKYFINEHO-YNEHKIRRSA-N 2 2 272.352 0.585 20 30 CCEDLP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268735803 813055843 /nfs/dbraw/zinc/05/58/43/813055843.db2.gz NLCSWZSFUICYSN-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268735803 813055849 /nfs/dbraw/zinc/05/58/49/813055849.db2.gz NLCSWZSFUICYSN-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038414656 813656106 /nfs/dbraw/zinc/65/61/06/813656106.db2.gz BINJSYKRECZNGA-ZIAGYGMSSA-N 2 2 286.379 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C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115188364 855651638 /nfs/dbraw/zinc/65/16/38/855651638.db2.gz LEIQPMDGEQCUPM-FOLVSLTJSA-N 2 2 288.395 0.975 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115188364 855651642 /nfs/dbraw/zinc/65/16/42/855651642.db2.gz LEIQPMDGEQCUPM-FOLVSLTJSA-N 2 2 288.395 0.975 20 30 CCEDLP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001324127006 912682906 /nfs/dbraw/zinc/68/29/06/912682906.db2.gz AARPMMXTXQVBFZ-HUUCEWRRSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001324127006 912682908 /nfs/dbraw/zinc/68/29/08/912682908.db2.gz AARPMMXTXQVBFZ-HUUCEWRRSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001324173783 912707984 /nfs/dbraw/zinc/70/79/84/912707984.db2.gz BVIPFHWBWBKCED-CYBMUJFWSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001324173783 912707993 /nfs/dbraw/zinc/70/79/93/912707993.db2.gz BVIPFHWBWBKCED-CYBMUJFWSA-N 2 2 260.341 0.556 20 30 CCEDLP CC#CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001481196189 892295842 /nfs/dbraw/zinc/29/58/42/892295842.db2.gz VFFIKPQNPOLUQM-UHFFFAOYSA-N 2 2 274.368 0.865 20 30 CCEDLP CC#CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001481196189 892295858 /nfs/dbraw/zinc/29/58/58/892295858.db2.gz VFFIKPQNPOLUQM-UHFFFAOYSA-N 2 2 274.368 0.865 20 30 CCEDLP C=C(C)C[NH2+]CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001481237470 892413087 /nfs/dbraw/zinc/41/30/87/892413087.db2.gz JISAANJUDFUPLD-UHFFFAOYSA-N 2 2 250.346 0.966 20 30 CCEDLP C=C(C)C[NH2+]CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001481237470 892413094 /nfs/dbraw/zinc/41/30/94/892413094.db2.gz JISAANJUDFUPLD-UHFFFAOYSA-N 2 2 250.346 0.966 20 30 CCEDLP C=CCC[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001481262234 892449701 /nfs/dbraw/zinc/44/97/01/892449701.db2.gz WUJWTNJVADZROI-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP C=CCC[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1 ZINC001481885692 893247696 /nfs/dbraw/zinc/24/76/96/893247696.db2.gz VFFMAPNGUZYEBW-LBPRGKRZSA-N 2 2 250.346 0.944 20 30 CCEDLP COCC#CC[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001482891447 894673574 /nfs/dbraw/zinc/67/35/74/894673574.db2.gz QYZOCIOMOIWLLA-GFCCVEGCSA-N 2 2 292.383 0.395 20 30 CCEDLP C#CC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001326445629 913961855 /nfs/dbraw/zinc/96/18/55/913961855.db2.gz JAINBSXVYPDOKD-CYBMUJFWSA-N 2 2 260.341 0.345 20 30 CCEDLP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485316893 896940089 /nfs/dbraw/zinc/94/00/89/896940089.db2.gz ILCGAJJEHMEFID-JHJVBQTASA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485316893 896940105 /nfs/dbraw/zinc/94/01/05/896940105.db2.gz ILCGAJJEHMEFID-JHJVBQTASA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485316893 896940119 /nfs/dbraw/zinc/94/01/19/896940119.db2.gz ILCGAJJEHMEFID-JHJVBQTASA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485316893 896940136 /nfs/dbraw/zinc/94/01/36/896940136.db2.gz ILCGAJJEHMEFID-JHJVBQTASA-N 2 2 274.368 0.973 20 30 CCEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001272869307 898094367 /nfs/dbraw/zinc/09/43/67/898094367.db2.gz OCAWWQUATDITDK-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001272869307 898094377 /nfs/dbraw/zinc/09/43/77/898094377.db2.gz OCAWWQUATDITDK-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001272869307 898094386 /nfs/dbraw/zinc/09/43/86/898094386.db2.gz OCAWWQUATDITDK-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001272869307 898094396 /nfs/dbraw/zinc/09/43/96/898094396.db2.gz OCAWWQUATDITDK-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781193 898179931 /nfs/dbraw/zinc/17/99/31/898179931.db2.gz MQIKRNBBYFJYMV-IHRRRGAJSA-N 2 2 261.369 0.247 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001032781193 898179944 /nfs/dbraw/zinc/17/99/44/898179944.db2.gz MQIKRNBBYFJYMV-IHRRRGAJSA-N 2 2 261.369 0.247 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032781193 898179949 /nfs/dbraw/zinc/17/99/49/898179949.db2.gz MQIKRNBBYFJYMV-IHRRRGAJSA-N 2 2 261.369 0.247 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032781193 898179954 /nfs/dbraw/zinc/17/99/54/898179954.db2.gz MQIKRNBBYFJYMV-IHRRRGAJSA-N 2 2 261.369 0.247 20 30 CCEDLP C=CC[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001494555591 899144061 /nfs/dbraw/zinc/14/40/61/899144061.db2.gz DUNBWUSOUTVANK-UHFFFAOYSA-N 2 2 288.395 0.996 20 30 CCEDLP C=CCC[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001327661949 914686044 /nfs/dbraw/zinc/68/60/44/914686044.db2.gz ODKZMZKQJMFCDC-UHFFFAOYSA-N 2 2 292.383 0.783 20 30 CCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001282923508 904603449 /nfs/dbraw/zinc/60/34/49/904603449.db2.gz GDCSDVTXVRJWAI-OLZOCXBDSA-N 2 2 290.367 0.181 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001316642647 905858134 /nfs/dbraw/zinc/85/81/34/905858134.db2.gz YMHNXRQNNPOATL-JOCQHMNTSA-N 2 2 260.341 0.391 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317332558 909145955 /nfs/dbraw/zinc/14/59/55/909145955.db2.gz XVEMMTUJJNXWSA-AWEZNQCLSA-N 2 2 274.368 0.735 20 30 CCEDLP C=CC[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001317613525 909404785 /nfs/dbraw/zinc/40/47/85/909404785.db2.gz MHNWRXUDHPPXMY-UHFFFAOYSA-N 2 2 250.346 0.587 20 30 CCEDLP C#CCC[NH+]1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001318168579 909647792 /nfs/dbraw/zinc/64/77/92/909647792.db2.gz HPHYRYUXEKYUEG-UHFFFAOYSA-N 2 2 260.341 0.034 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001320176374 910495352 /nfs/dbraw/zinc/49/53/52/910495352.db2.gz XQHNWFFXTPLWOO-DZGCQCFKSA-N 2 2 288.395 0.860 20 30 CCEDLP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320243478 910551500 /nfs/dbraw/zinc/55/15/00/910551500.db2.gz TWQMCCOZSGWTLE-STQMWFEESA-N 2 2 292.383 0.088 20 30 CCEDLP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001321098131 911084048 /nfs/dbraw/zinc/08/40/48/911084048.db2.gz TUQWVMZZCHPHJW-BLDJZWNYSA-N 2 2 258.325 0.408 20 30 CCEDLP C#CCCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336065519 920588763 /nfs/dbraw/zinc/58/87/63/920588763.db2.gz JNQBEJLKQLWQDF-UHFFFAOYSA-N 2 2 266.389 0.512 20 30 CCEDLP CC(C)(C#N)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336075366 920594941 /nfs/dbraw/zinc/59/49/41/920594941.db2.gz KKGZTAILWGKOOI-UHFFFAOYSA-N 2 2 267.377 0.258 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336143541 920633833 /nfs/dbraw/zinc/63/38/33/920633833.db2.gz URFVDIRPGFFYMX-JSGCOSHPSA-N 2 2 296.415 0.300 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC001340017120 921918341 /nfs/dbraw/zinc/91/83/41/921918341.db2.gz AMPVTXMBKKLTMQ-ZDUSSCGKSA-N 2 2 283.416 0.897 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC001340168465 921993656 /nfs/dbraw/zinc/99/36/56/921993656.db2.gz NXEBFWAFCQLLIG-QWHCGFSZSA-N 2 2 269.389 0.507 20 30 CCEDLP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001419534330 922901368 /nfs/dbraw/zinc/90/13/68/922901368.db2.gz FWCFDRPXAMVQOS-JTQLQIEISA-N 2 2 270.764 0.978 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001344708740 923670346 /nfs/dbraw/zinc/67/03/46/923670346.db2.gz QDJYDJHTEMICFL-ZDUSSCGKSA-N 3 2 268.405 0.209 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+]CCn2cc[nH+]c2)CCOCC1 ZINC001351678874 925453790 /nfs/dbraw/zinc/45/37/90/925453790.db2.gz HTSNJUNBXQGBHI-ZDUSSCGKSA-N 2 2 278.356 0.544 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC001353321933 925796058 /nfs/dbraw/zinc/79/60/58/925796058.db2.gz CCLKILGTTJPVRG-CQSZACIVSA-N 2 2 266.385 0.340 20 30 CCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000093492642 349544082 /nfs/dbraw/zinc/54/40/82/349544082.db2.gz SHJQETIEVLTIDX-GFCCVEGCSA-N 2 2 264.398 0.955 20 30 CCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000093492642 349544086 /nfs/dbraw/zinc/54/40/86/349544086.db2.gz SHJQETIEVLTIDX-GFCCVEGCSA-N 2 2 264.398 0.955 20 30 CCEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600721408 362046023 /nfs/dbraw/zinc/04/60/23/362046023.db2.gz LVFXPORGICPVSC-KGLIPLIRSA-N 2 2 281.400 0.742 20 30 CCEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600721408 362046027 /nfs/dbraw/zinc/04/60/27/362046027.db2.gz LVFXPORGICPVSC-KGLIPLIRSA-N 2 2 281.400 0.742 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000600742267 362051933 /nfs/dbraw/zinc/05/19/33/362051933.db2.gz JOHIVZDGPCCPQT-UONOGXRCSA-N 2 2 281.400 0.478 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000600742267 362051937 /nfs/dbraw/zinc/05/19/37/362051937.db2.gz JOHIVZDGPCCPQT-UONOGXRCSA-N 2 2 281.400 0.478 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333368 362229283 /nfs/dbraw/zinc/22/92/83/362229283.db2.gz CRYRBIBXICFLLF-NWDGAFQWSA-N 2 2 280.372 0.072 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333368 362229287 /nfs/dbraw/zinc/22/92/87/362229287.db2.gz CRYRBIBXICFLLF-NWDGAFQWSA-N 2 2 280.372 0.072 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330200164 530056841 /nfs/dbraw/zinc/05/68/41/530056841.db2.gz WJYSLGQCMGCGSN-NWDGAFQWSA-N 2 2 277.372 0.796 20 30 CCEDLP C[N@H+]1CCC[C@@H]1CNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330200164 530056842 /nfs/dbraw/zinc/05/68/42/530056842.db2.gz WJYSLGQCMGCGSN-NWDGAFQWSA-N 2 2 277.372 0.796 20 30 CCEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847336 362834600 /nfs/dbraw/zinc/83/46/00/362834600.db2.gz AITGNAWGYHTAHL-ZNMIVQPWSA-N 2 2 282.432 0.606 20 30 CCEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847336 362834603 /nfs/dbraw/zinc/83/46/03/362834603.db2.gz AITGNAWGYHTAHL-ZNMIVQPWSA-N 2 2 282.432 0.606 20 30 CCEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847336 362834607 /nfs/dbraw/zinc/83/46/07/362834607.db2.gz AITGNAWGYHTAHL-ZNMIVQPWSA-N 2 2 282.432 0.606 20 30 CCEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847336 362834598 /nfs/dbraw/zinc/83/45/98/362834598.db2.gz AITGNAWGYHTAHL-ZNMIVQPWSA-N 2 2 282.432 0.606 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122893800 350071455 /nfs/dbraw/zinc/07/14/55/350071455.db2.gz TYCUEUAMPHXPMI-MNOVXSKESA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122893800 350071457 /nfs/dbraw/zinc/07/14/57/350071457.db2.gz TYCUEUAMPHXPMI-MNOVXSKESA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH2+]C2)C1=O ZINC000261918480 352565620 /nfs/dbraw/zinc/56/56/20/352565620.db2.gz KDYLQEDXPDABPQ-CHWSQXEVSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH2+]C2)C1=O ZINC000261918480 352565622 /nfs/dbraw/zinc/56/56/22/352565622.db2.gz KDYLQEDXPDABPQ-CHWSQXEVSA-N 2 2 251.374 0.705 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672548 366318303 /nfs/dbraw/zinc/31/83/03/366318303.db2.gz AQZNPFGSUQBQNF-NEPJUHHUSA-N 2 2 250.346 0.042 20 30 CCEDLP C=C[C@H](C(=O)OC)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000619719756 366339480 /nfs/dbraw/zinc/33/94/80/366339480.db2.gz AYTXPLIIRVPQBM-CQSZACIVSA-N 2 2 283.416 0.672 20 30 CCEDLP C=C[C@H](C(=O)OC)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000619719756 366339487 /nfs/dbraw/zinc/33/94/87/366339487.db2.gz AYTXPLIIRVPQBM-CQSZACIVSA-N 2 2 283.416 0.672 20 30 CCEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](C[NH3+])C1 ZINC000591307537 359576773 /nfs/dbraw/zinc/57/67/73/359576773.db2.gz PZHNICGQZLDYDQ-LBPRGKRZSA-N 2 2 291.330 0.804 20 30 CCEDLP C[N@H+]1CCN(C(=O)Nc2ccc(C#N)c(F)c2)[C@@H](C[NH3+])C1 ZINC000591307537 359576775 /nfs/dbraw/zinc/57/67/75/359576775.db2.gz PZHNICGQZLDYDQ-LBPRGKRZSA-N 2 2 291.330 0.804 20 30 CCEDLP CC(C)(CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCOCC1 ZINC000594445739 360312835 /nfs/dbraw/zinc/31/28/35/360312835.db2.gz KZOIFTDWZMJLCX-ZDUSSCGKSA-N 2 2 296.415 0.625 20 30 CCEDLP N#CCCOCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595863765 360683502 /nfs/dbraw/zinc/68/35/02/360683502.db2.gz OKLAEPUGPHOCGB-AWEZNQCLSA-N 2 2 267.373 0.448 20 30 CCEDLP N#CCCOCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595863765 360683506 /nfs/dbraw/zinc/68/35/06/360683506.db2.gz OKLAEPUGPHOCGB-AWEZNQCLSA-N 2 2 267.373 0.448 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNc1nccnc1C#N ZINC000596425676 360890812 /nfs/dbraw/zinc/89/08/12/360890812.db2.gz UNOGHOIVOHJRRJ-UHFFFAOYSA-N 2 2 262.361 0.644 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNc1nccnc1C#N ZINC000596425676 360890815 /nfs/dbraw/zinc/89/08/15/360890815.db2.gz UNOGHOIVOHJRRJ-UHFFFAOYSA-N 2 2 262.361 0.644 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(CC#N)CC1 ZINC000596587535 360925667 /nfs/dbraw/zinc/92/56/67/360925667.db2.gz MGLOLTJPZOVYLY-UHFFFAOYSA-N 2 2 295.431 0.863 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(CC#N)CC1 ZINC000596587535 360925670 /nfs/dbraw/zinc/92/56/70/360925670.db2.gz MGLOLTJPZOVYLY-UHFFFAOYSA-N 2 2 295.431 0.863 20 30 CCEDLP C[C@@H](CC#N)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000597344935 361065985 /nfs/dbraw/zinc/06/59/85/361065985.db2.gz SWVZGFSPDQPUAN-LBPRGKRZSA-N 2 2 266.389 0.678 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C#N)cn1 ZINC000597989939 361299722 /nfs/dbraw/zinc/29/97/22/361299722.db2.gz OCCPZOZLZOPTGO-UHFFFAOYSA-N 2 2 289.383 0.567 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C#N)cn1 ZINC000597989939 361299729 /nfs/dbraw/zinc/29/97/29/361299729.db2.gz OCCPZOZLZOPTGO-UHFFFAOYSA-N 2 2 289.383 0.567 20 30 CCEDLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328894649 389143930 /nfs/dbraw/zinc/14/39/30/389143930.db2.gz AYGXIUIGXAMDIF-WCQYABFASA-N 2 2 278.356 0.733 20 30 CCEDLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000328894649 389143933 /nfs/dbraw/zinc/14/39/33/389143933.db2.gz AYGXIUIGXAMDIF-WCQYABFASA-N 2 2 278.356 0.733 20 30 CCEDLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1cccc(C#N)c1 ZINC000314662151 389117662 /nfs/dbraw/zinc/11/76/62/389117662.db2.gz IEXDXCRVMYXNEZ-INIZCTEOSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1cccc(C#N)c1 ZINC000314662151 389117665 /nfs/dbraw/zinc/11/76/65/389117665.db2.gz IEXDXCRVMYXNEZ-INIZCTEOSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000314662151 389117667 /nfs/dbraw/zinc/11/76/67/389117667.db2.gz IEXDXCRVMYXNEZ-INIZCTEOSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000314662151 389117672 /nfs/dbraw/zinc/11/76/72/389117672.db2.gz IEXDXCRVMYXNEZ-INIZCTEOSA-N 2 2 291.395 0.929 20 30 CCEDLP N#CCCOCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000338958771 389119191 /nfs/dbraw/zinc/11/91/91/389119191.db2.gz AJEMABPHMZXKOR-UHFFFAOYSA-N 2 2 294.399 0.157 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360554950 389200025 /nfs/dbraw/zinc/20/00/25/389200025.db2.gz ZYIKANLZHKGCPV-RISCZKNCSA-N 2 2 280.372 0.072 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360554950 389200027 /nfs/dbraw/zinc/20/00/27/389200027.db2.gz ZYIKANLZHKGCPV-RISCZKNCSA-N 2 2 280.372 0.072 20 30 CCEDLP C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+]C[C@@H]1C[N@H+](C)CCN1C ZINC000329365673 389159885 /nfs/dbraw/zinc/15/98/85/389159885.db2.gz KBOBFBJLJDUEJK-CHWSQXEVSA-N 2 2 294.403 0.021 20 30 CCEDLP C[C@H](Cn1cc[nH+]c1)NC([O-])=[NH+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000329365673 389159886 /nfs/dbraw/zinc/15/98/86/389159886.db2.gz KBOBFBJLJDUEJK-CHWSQXEVSA-N 2 2 294.403 0.021 20 30 CCEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329365673 389159888 /nfs/dbraw/zinc/15/98/88/389159888.db2.gz KBOBFBJLJDUEJK-CHWSQXEVSA-N 2 2 294.403 0.021 20 30 CCEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329365673 389159892 /nfs/dbraw/zinc/15/98/92/389159892.db2.gz KBOBFBJLJDUEJK-CHWSQXEVSA-N 2 2 294.403 0.021 20 30 CCEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245427701 389206830 /nfs/dbraw/zinc/20/68/30/389206830.db2.gz MCFJFEABGSXWAZ-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245427701 389206832 /nfs/dbraw/zinc/20/68/32/389206832.db2.gz MCFJFEABGSXWAZ-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245427701 389206833 /nfs/dbraw/zinc/20/68/33/389206833.db2.gz MCFJFEABGSXWAZ-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245427701 389206835 /nfs/dbraw/zinc/20/68/35/389206835.db2.gz MCFJFEABGSXWAZ-QWHCGFSZSA-N 2 2 253.390 0.951 20 30 CCEDLP C[N@@H+]1CCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000329863157 389206920 /nfs/dbraw/zinc/20/69/20/389206920.db2.gz RPYBAQATZZFYFQ-JTQLQIEISA-N 2 2 252.318 0.629 20 30 CCEDLP C[N@H+]1CCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000329863157 389206921 /nfs/dbraw/zinc/20/69/21/389206921.db2.gz RPYBAQATZZFYFQ-JTQLQIEISA-N 2 2 252.318 0.629 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246962236 389234278 /nfs/dbraw/zinc/23/42/78/389234278.db2.gz OJUVVPLZSHGLCV-OLZOCXBDSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246962236 389234280 /nfs/dbraw/zinc/23/42/80/389234280.db2.gz OJUVVPLZSHGLCV-OLZOCXBDSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246962236 389234282 /nfs/dbraw/zinc/23/42/82/389234282.db2.gz OJUVVPLZSHGLCV-OLZOCXBDSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246962236 389234283 /nfs/dbraw/zinc/23/42/83/389234283.db2.gz OJUVVPLZSHGLCV-OLZOCXBDSA-N 2 2 296.415 0.660 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NCc1ccoc1 ZINC000262762765 389294324 /nfs/dbraw/zinc/29/43/24/389294324.db2.gz DXSCBEDPPOVPNS-UHFFFAOYSA-N 2 2 282.413 0.993 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])C1=O ZINC000420265762 389975292 /nfs/dbraw/zinc/97/52/92/389975292.db2.gz BWLWNUUVAJNOCO-XQQFMLRXSA-N 2 2 251.374 0.975 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])C1=O ZINC000420265762 389975295 /nfs/dbraw/zinc/97/52/95/389975295.db2.gz BWLWNUUVAJNOCO-XQQFMLRXSA-N 2 2 251.374 0.975 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420363398 389992707 /nfs/dbraw/zinc/99/27/07/389992707.db2.gz IAFIJFRJIBCHPB-WFASDCNBSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420363398 389992710 /nfs/dbraw/zinc/99/27/10/389992710.db2.gz IAFIJFRJIBCHPB-WFASDCNBSA-N 2 2 294.399 0.462 20 30 CCEDLP C#CC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000491713020 390116203 /nfs/dbraw/zinc/11/62/03/390116203.db2.gz IYUWIUWFHHKCDE-AWEZNQCLSA-N 2 2 295.408 0.475 20 30 CCEDLP C#CC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000491713020 390116204 /nfs/dbraw/zinc/11/62/04/390116204.db2.gz IYUWIUWFHHKCDE-AWEZNQCLSA-N 2 2 295.408 0.475 20 30 CCEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000491743790 390116460 /nfs/dbraw/zinc/11/64/60/390116460.db2.gz MSUIIVNGJMQLIY-XGUBFFRZSA-N 2 2 268.401 0.704 20 30 CCEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000491743790 390116461 /nfs/dbraw/zinc/11/64/61/390116461.db2.gz MSUIIVNGJMQLIY-XGUBFFRZSA-N 2 2 268.401 0.704 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569716037 390716436 /nfs/dbraw/zinc/71/64/36/390716436.db2.gz ZSWYVETWPZPDPZ-RBSFLKMASA-N 2 2 280.416 0.409 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569716037 390716438 /nfs/dbraw/zinc/71/64/38/390716438.db2.gz ZSWYVETWPZPDPZ-RBSFLKMASA-N 2 2 280.416 0.409 20 30 CCEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000569716037 390716440 /nfs/dbraw/zinc/71/64/40/390716440.db2.gz ZSWYVETWPZPDPZ-RBSFLKMASA-N 2 2 280.416 0.409 20 30 CCEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000569716037 390716441 /nfs/dbraw/zinc/71/64/41/390716441.db2.gz ZSWYVETWPZPDPZ-RBSFLKMASA-N 2 2 280.416 0.409 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569716037 390716443 /nfs/dbraw/zinc/71/64/43/390716443.db2.gz ZSWYVETWPZPDPZ-RBSFLKMASA-N 2 2 280.416 0.409 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569716037 390716445 /nfs/dbraw/zinc/71/64/45/390716445.db2.gz ZSWYVETWPZPDPZ-RBSFLKMASA-N 2 2 280.416 0.409 20 30 CCEDLP CC#CCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000155407649 260765267 /nfs/dbraw/zinc/76/52/67/260765267.db2.gz RFEDWHOXVDWACL-UHFFFAOYSA-N 2 2 265.401 0.886 20 30 CCEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162754890 262377113 /nfs/dbraw/zinc/37/71/13/262377113.db2.gz SSZTYVYEMNJWBM-CYBMUJFWSA-N 2 2 251.374 0.801 20 30 CCEDLP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162754890 262377114 /nfs/dbraw/zinc/37/71/14/262377114.db2.gz SSZTYVYEMNJWBM-CYBMUJFWSA-N 2 2 251.374 0.801 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649319 266339738 /nfs/dbraw/zinc/33/97/38/266339738.db2.gz PJKKKPPWLWXYBN-GFCCVEGCSA-N 2 2 269.389 0.066 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649319 266339740 /nfs/dbraw/zinc/33/97/40/266339740.db2.gz PJKKKPPWLWXYBN-GFCCVEGCSA-N 2 2 269.389 0.066 20 30 CCEDLP C=CCC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584340970 328128051 /nfs/dbraw/zinc/12/80/51/328128051.db2.gz FHKLPTURDVWFKH-LBPRGKRZSA-N 2 2 268.405 0.873 20 30 CCEDLP C=CCC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584340970 328128053 /nfs/dbraw/zinc/12/80/53/328128053.db2.gz FHKLPTURDVWFKH-LBPRGKRZSA-N 2 2 268.405 0.873 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CCC([NH2+]CCOC)CC2)C1=O ZINC000569462576 327181919 /nfs/dbraw/zinc/18/19/19/327181919.db2.gz FDJSXQSPZQSXFR-AWEZNQCLSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@@H](C)OC)C(C)C)CC1 ZINC000490781115 332115709 /nfs/dbraw/zinc/11/57/09/332115709.db2.gz WIJFELWUJSXYNO-OAHLLOKOSA-N 2 2 295.427 0.509 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@@H](C)OC)C(C)C)CC1 ZINC000490781115 332115711 /nfs/dbraw/zinc/11/57/11/332115711.db2.gz WIJFELWUJSXYNO-OAHLLOKOSA-N 2 2 295.427 0.509 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)OCC[NH+]2CCOCC2)CC1 ZINC000490872853 332123428 /nfs/dbraw/zinc/12/34/28/332123428.db2.gz GTBQNHDWKRDXJB-UHFFFAOYSA-N 2 2 280.368 0.207 20 30 CCEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1CCCC1 ZINC000491387265 332202675 /nfs/dbraw/zinc/20/26/75/332202675.db2.gz XRFFWQKKWOUNLP-OAHLLOKOSA-N 2 2 268.401 0.803 20 30 CCEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1CCCC1 ZINC000491387265 332202676 /nfs/dbraw/zinc/20/26/76/332202676.db2.gz XRFFWQKKWOUNLP-OAHLLOKOSA-N 2 2 268.401 0.803 20 30 CCEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1CCCC1 ZINC000491387265 332202677 /nfs/dbraw/zinc/20/26/77/332202677.db2.gz XRFFWQKKWOUNLP-OAHLLOKOSA-N 2 2 268.401 0.803 20 30 CCEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1CCCC1 ZINC000491387265 332202678 /nfs/dbraw/zinc/20/26/78/332202678.db2.gz XRFFWQKKWOUNLP-OAHLLOKOSA-N 2 2 268.401 0.803 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491439350 332211689 /nfs/dbraw/zinc/21/16/89/332211689.db2.gz JFEPDOWYSJYSAZ-GFCCVEGCSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000491439350 332211690 /nfs/dbraw/zinc/21/16/90/332211690.db2.gz JFEPDOWYSJYSAZ-GFCCVEGCSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491439350 332211691 /nfs/dbraw/zinc/21/16/91/332211691.db2.gz JFEPDOWYSJYSAZ-GFCCVEGCSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000491439350 332211692 /nfs/dbraw/zinc/21/16/92/332211692.db2.gz JFEPDOWYSJYSAZ-GFCCVEGCSA-N 2 2 262.357 0.660 20 30 CCEDLP CC[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330244938 529108069 /nfs/dbraw/zinc/10/80/69/529108069.db2.gz DMOLVWBBKHJRIR-LBPRGKRZSA-N 2 2 277.372 0.749 20 30 CCEDLP C#CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000754050121 581572590 /nfs/dbraw/zinc/57/25/90/581572590.db2.gz BCUPJPDHKBAOLD-UHFFFAOYSA-N 2 2 263.385 0.686 20 30 CCEDLP C[C@@H]1CC[N@H+](CC(=O)NCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000767433494 581613669 /nfs/dbraw/zinc/61/36/69/581613669.db2.gz JCNDXRGZIKYKIO-CHWSQXEVSA-N 2 2 275.356 0.796 20 30 CCEDLP C[C@@H]1CC[N@@H+](CC(=O)NCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000767433494 581613672 /nfs/dbraw/zinc/61/36/72/581613672.db2.gz JCNDXRGZIKYKIO-CHWSQXEVSA-N 2 2 275.356 0.796 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCC)CC1 ZINC000732121419 581804949 /nfs/dbraw/zinc/80/49/49/581804949.db2.gz IXUCTTLFANTNBM-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCC)CC1 ZINC000732121419 581804953 /nfs/dbraw/zinc/80/49/53/581804953.db2.gz IXUCTTLFANTNBM-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000744799556 581852889 /nfs/dbraw/zinc/85/28/89/581852889.db2.gz OAYBVSMMGDTVQE-KGLIPLIRSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000744799556 581852893 /nfs/dbraw/zinc/85/28/93/581852893.db2.gz OAYBVSMMGDTVQE-KGLIPLIRSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC000744799556 581852898 /nfs/dbraw/zinc/85/28/98/581852898.db2.gz OAYBVSMMGDTVQE-KGLIPLIRSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC[C@@H](C)C1 ZINC000744799556 581852900 /nfs/dbraw/zinc/85/29/00/581852900.db2.gz OAYBVSMMGDTVQE-KGLIPLIRSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852109124 612950180 /nfs/dbraw/zinc/95/01/80/612950180.db2.gz WBYLJJRURUQBSZ-DZGCQCFKSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852109124 612950181 /nfs/dbraw/zinc/95/01/81/612950181.db2.gz WBYLJJRURUQBSZ-DZGCQCFKSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852109124 612950182 /nfs/dbraw/zinc/95/01/82/612950182.db2.gz WBYLJJRURUQBSZ-DZGCQCFKSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852109124 612950184 /nfs/dbraw/zinc/95/01/84/612950184.db2.gz WBYLJJRURUQBSZ-DZGCQCFKSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCC(CC#C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000857308312 612967319 /nfs/dbraw/zinc/96/73/19/612967319.db2.gz MTXBHVKTEMKKIA-UHFFFAOYSA-N 2 2 277.412 0.649 20 30 CCEDLP C#CCC(CC#C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000857308312 612967320 /nfs/dbraw/zinc/96/73/20/612967320.db2.gz MTXBHVKTEMKKIA-UHFFFAOYSA-N 2 2 277.412 0.649 20 30 CCEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981551842 612972066 /nfs/dbraw/zinc/97/20/66/612972066.db2.gz ZUPTVULDALVUCE-QWHCGFSZSA-N 2 2 260.341 0.533 20 30 CCEDLP C#CCC[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668236 613002742 /nfs/dbraw/zinc/00/27/42/613002742.db2.gz IGMMZMMDTWHSIE-UHFFFAOYSA-N 2 2 288.395 0.910 20 30 CCEDLP C#CCC[N@@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668236 613002744 /nfs/dbraw/zinc/00/27/44/613002744.db2.gz IGMMZMMDTWHSIE-UHFFFAOYSA-N 2 2 288.395 0.910 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767935 613026785 /nfs/dbraw/zinc/02/67/85/613026785.db2.gz YUYHRQLVWVRLPU-OLZOCXBDSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767935 613026786 /nfs/dbraw/zinc/02/67/86/613026786.db2.gz YUYHRQLVWVRLPU-OLZOCXBDSA-N 2 2 274.368 0.802 20 30 CCEDLP C#C[C@@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872215092 613090433 /nfs/dbraw/zinc/09/04/33/613090433.db2.gz PJBJQQSAPZFAGB-JKSUJKDBSA-N 2 2 274.364 0.207 20 30 CCEDLP C#C[C@@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872215092 613090435 /nfs/dbraw/zinc/09/04/35/613090435.db2.gz PJBJQQSAPZFAGB-JKSUJKDBSA-N 2 2 274.364 0.207 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898488950 613130818 /nfs/dbraw/zinc/13/08/18/613130818.db2.gz KJPHUWABWLSVFP-OAHLLOKOSA-N 2 2 295.402 0.882 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898488950 613130819 /nfs/dbraw/zinc/13/08/19/613130819.db2.gz KJPHUWABWLSVFP-OAHLLOKOSA-N 2 2 295.402 0.882 20 30 CCEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981332029 613153588 /nfs/dbraw/zinc/15/35/88/613153588.db2.gz QEZBHKAEWCTMGG-AWEZNQCLSA-N 2 2 286.379 0.928 20 30 CCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981332029 613153591 /nfs/dbraw/zinc/15/35/91/613153591.db2.gz QEZBHKAEWCTMGG-AWEZNQCLSA-N 2 2 286.379 0.928 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000923566620 613172305 /nfs/dbraw/zinc/17/23/05/613172305.db2.gz MPHAJAWXFSKTRP-LSDHHAIUSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000923566620 613172307 /nfs/dbraw/zinc/17/23/07/613172307.db2.gz MPHAJAWXFSKTRP-LSDHHAIUSA-N 2 2 293.411 0.169 20 30 CCEDLP C#Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000855416175 613178096 /nfs/dbraw/zinc/17/80/96/613178096.db2.gz IMZNUFZACZJPGO-UHFFFAOYSA-N 2 2 288.395 0.676 20 30 CCEDLP C#Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000855416175 613178097 /nfs/dbraw/zinc/17/80/97/613178097.db2.gz IMZNUFZACZJPGO-UHFFFAOYSA-N 2 2 288.395 0.676 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980241623 613291474 /nfs/dbraw/zinc/29/14/74/613291474.db2.gz CMOPNUKXCRQHJZ-SOUVJXGZSA-N 2 2 286.379 0.733 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC000980241623 613291475 /nfs/dbraw/zinc/29/14/75/613291475.db2.gz CMOPNUKXCRQHJZ-SOUVJXGZSA-N 2 2 286.379 0.733 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000834362522 613326604 /nfs/dbraw/zinc/32/66/04/613326604.db2.gz CONOXHDXVPTUBZ-ZDUSSCGKSA-N 2 2 251.374 0.590 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000900517902 613363416 /nfs/dbraw/zinc/36/34/16/613363416.db2.gz KHGIRMAGHHPNJC-UHFFFAOYSA-N 2 2 269.389 0.285 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000900808017 613365242 /nfs/dbraw/zinc/36/52/42/613365242.db2.gz XXZPUJMNZPIZKA-KBPBESRZSA-N 2 2 282.432 0.245 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000900808017 613365243 /nfs/dbraw/zinc/36/52/43/613365243.db2.gz XXZPUJMNZPIZKA-KBPBESRZSA-N 2 2 282.432 0.245 20 30 CCEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923333808 613591231 /nfs/dbraw/zinc/59/12/31/613591231.db2.gz SWBFBHPHKGWRDA-KGLIPLIRSA-N 2 2 281.400 0.210 20 30 CCEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923333808 613591234 /nfs/dbraw/zinc/59/12/34/613591234.db2.gz SWBFBHPHKGWRDA-KGLIPLIRSA-N 2 2 281.400 0.210 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947930352 613598284 /nfs/dbraw/zinc/59/82/84/613598284.db2.gz ROCIZFNKOAFBFU-KBPBESRZSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947930352 613598286 /nfs/dbraw/zinc/59/82/86/613598286.db2.gz ROCIZFNKOAFBFU-KBPBESRZSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961738904 613636284 /nfs/dbraw/zinc/63/62/84/613636284.db2.gz YVTWVOCKVDCKCW-CXTNEJHOSA-N 2 2 298.390 0.899 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961738904 613636285 /nfs/dbraw/zinc/63/62/85/613636285.db2.gz YVTWVOCKVDCKCW-CXTNEJHOSA-N 2 2 298.390 0.899 20 30 CCEDLP C=CC[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970013405 613671032 /nfs/dbraw/zinc/67/10/32/613671032.db2.gz SYVBCFVNQLBIKC-NSHDSACASA-N 2 2 292.383 0.972 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1=O ZINC000879579668 613778514 /nfs/dbraw/zinc/77/85/14/613778514.db2.gz ASSJRHKMGXJEGV-RDBSUJKOSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1=O ZINC000879579668 613778516 /nfs/dbraw/zinc/77/85/16/613778516.db2.gz ASSJRHKMGXJEGV-RDBSUJKOSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879579668 613778517 /nfs/dbraw/zinc/77/85/17/613778517.db2.gz ASSJRHKMGXJEGV-RDBSUJKOSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879579668 613778519 /nfs/dbraw/zinc/77/85/19/613778519.db2.gz ASSJRHKMGXJEGV-RDBSUJKOSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960648873 613839604 /nfs/dbraw/zinc/83/96/04/613839604.db2.gz AYHOVNKPLRPPRK-CXTNEJHOSA-N 2 2 286.379 0.678 20 30 CCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960648873 613839605 /nfs/dbraw/zinc/83/96/05/613839605.db2.gz AYHOVNKPLRPPRK-CXTNEJHOSA-N 2 2 286.379 0.678 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960641386 613840535 /nfs/dbraw/zinc/84/05/35/613840535.db2.gz FRVIIMWLYWYVMI-RMRHIDDWSA-N 2 2 286.379 0.678 20 30 CCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960641386 613840536 /nfs/dbraw/zinc/84/05/36/613840536.db2.gz FRVIIMWLYWYVMI-RMRHIDDWSA-N 2 2 286.379 0.678 20 30 CCEDLP C=CCNC(=[NH2+])NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048456 613844706 /nfs/dbraw/zinc/84/47/06/613844706.db2.gz HOCWGUYWTPQMGE-SDDRHHMPSA-N 2 2 254.378 0.784 20 30 CCEDLP C=CCNC(=[NH2+])NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048456 613844707 /nfs/dbraw/zinc/84/47/07/613844707.db2.gz HOCWGUYWTPQMGE-SDDRHHMPSA-N 2 2 254.378 0.784 20 30 CCEDLP C=CCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000848983826 613844764 /nfs/dbraw/zinc/84/47/64/613844764.db2.gz LENIGEGUCYTRNU-GFCCVEGCSA-N 2 2 254.378 0.643 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000884041014 613877424 /nfs/dbraw/zinc/87/74/24/613877424.db2.gz JYCAJJPWJJDDFS-NEPJUHHUSA-N 2 2 285.388 0.265 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000884027308 613877468 /nfs/dbraw/zinc/87/74/68/613877468.db2.gz YNNSCHFYCRENIT-RYUDHWBXSA-N 2 2 283.372 0.034 20 30 CCEDLP CC[C@@H](C(=O)NCC#CC[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000913521953 615917443 /nfs/dbraw/zinc/91/74/43/615917443.db2.gz URVXDOVEHWRORS-GJZGRUSLSA-N 2 2 295.427 0.557 20 30 CCEDLP CC[C@@H](C(=O)NCC#CC[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000913521953 615917444 /nfs/dbraw/zinc/91/74/44/615917444.db2.gz URVXDOVEHWRORS-GJZGRUSLSA-N 2 2 295.427 0.557 20 30 CCEDLP CC[C@H](C(=O)NCC#CC[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000913521955 615917807 /nfs/dbraw/zinc/91/78/07/615917807.db2.gz URVXDOVEHWRORS-LSDHHAIUSA-N 2 2 295.427 0.557 20 30 CCEDLP CC[C@H](C(=O)NCC#CC[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000913521955 615917805 /nfs/dbraw/zinc/91/78/05/615917805.db2.gz URVXDOVEHWRORS-LSDHHAIUSA-N 2 2 295.427 0.557 20 30 CCEDLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000877432707 615926217 /nfs/dbraw/zinc/92/62/17/615926217.db2.gz FRFSSXCSBDSAJD-STQMWFEESA-N 2 2 282.388 0.235 20 30 CCEDLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000877432707 615926218 /nfs/dbraw/zinc/92/62/18/615926218.db2.gz FRFSSXCSBDSAJD-STQMWFEESA-N 2 2 282.388 0.235 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)C[NH+]2CCCC2)CC1 ZINC000874439287 616166133 /nfs/dbraw/zinc/16/61/33/616166133.db2.gz WNZPYRRLDFYGGU-UHFFFAOYSA-N 2 2 250.346 0.186 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]12 ZINC001026281870 625387208 /nfs/dbraw/zinc/38/72/08/625387208.db2.gz JYALNJPUSQALTE-VHDGCEQUSA-N 2 2 286.379 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]12 ZINC001026281870 625387209 /nfs/dbraw/zinc/38/72/09/625387209.db2.gz JYALNJPUSQALTE-VHDGCEQUSA-N 2 2 286.379 0.802 20 30 CCEDLP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008307888 650109631 /nfs/dbraw/zinc/10/96/31/650109631.db2.gz ZDGXDIHRBHTFDU-CABCVRRESA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008307888 650109635 /nfs/dbraw/zinc/10/96/35/650109635.db2.gz ZDGXDIHRBHTFDU-CABCVRRESA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008307888 650109639 /nfs/dbraw/zinc/10/96/39/650109639.db2.gz ZDGXDIHRBHTFDU-CABCVRRESA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008307888 650109642 /nfs/dbraw/zinc/10/96/42/650109642.db2.gz ZDGXDIHRBHTFDU-CABCVRRESA-N 2 2 295.427 0.862 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993612664 637820556 /nfs/dbraw/zinc/82/05/56/637820556.db2.gz JDGISHPTBZQAGT-KBPBESRZSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993612664 637820559 /nfs/dbraw/zinc/82/05/59/637820559.db2.gz JDGISHPTBZQAGT-KBPBESRZSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993612674 637820896 /nfs/dbraw/zinc/82/08/96/637820896.db2.gz JDGISHPTBZQAGT-ZIAGYGMSSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993612674 637820898 /nfs/dbraw/zinc/82/08/98/637820898.db2.gz JDGISHPTBZQAGT-ZIAGYGMSSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000999538262 638984679 /nfs/dbraw/zinc/98/46/79/638984679.db2.gz VIEXITUWMLHJQE-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000841224046 642808186 /nfs/dbraw/zinc/80/81/86/642808186.db2.gz HVXNBNJGEZIJCZ-MWLCHTKSSA-N 2 2 270.296 0.567 20 30 CCEDLP C[C@@H]1C[NH+]=C(NCC[NH+]2CCN(c3ccccc3)CC2)N1 ZINC000848990340 643694332 /nfs/dbraw/zinc/69/43/32/643694332.db2.gz CKBGPKIYRZZIKP-CQSZACIVSA-N 2 2 287.411 0.746 20 30 CCEDLP C[C@H](C#N)OCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852707798 643989431 /nfs/dbraw/zinc/98/94/31/643989431.db2.gz KXZQRTJXBBQUSA-TZMCWYRMSA-N 2 2 267.373 0.446 20 30 CCEDLP C[C@H](C#N)OCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852707798 643989438 /nfs/dbraw/zinc/98/94/38/643989438.db2.gz KXZQRTJXBBQUSA-TZMCWYRMSA-N 2 2 267.373 0.446 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001018663598 650894495 /nfs/dbraw/zinc/89/44/95/650894495.db2.gz IOHSHQHSDWNELR-RYUDHWBXSA-N 2 2 287.791 0.260 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001018663598 650894498 /nfs/dbraw/zinc/89/44/98/650894498.db2.gz IOHSHQHSDWNELR-RYUDHWBXSA-N 2 2 287.791 0.260 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001019056307 650933926 /nfs/dbraw/zinc/93/39/26/650933926.db2.gz SJTUOUHUJBJKSM-STQMWFEESA-N 2 2 272.352 0.269 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001020312431 651059070 /nfs/dbraw/zinc/05/90/70/651059070.db2.gz JOANHQJGQYLYKM-JHJVBQTASA-N 2 2 272.352 0.316 20 30 CCEDLP CC[C@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878698870 646961655 /nfs/dbraw/zinc/96/16/55/646961655.db2.gz IWWDNPWMMPXHJI-LLVKDONJSA-N 2 2 252.362 0.479 20 30 CCEDLP C=CCOCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438239 805601581 /nfs/dbraw/zinc/60/15/81/805601581.db2.gz CIGNSOAWLSNSMW-UHFFFAOYSA-N 2 2 292.383 0.666 20 30 CCEDLP C#CCC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001266335072 790529421 /nfs/dbraw/zinc/52/94/21/790529421.db2.gz GVFWQFAACOMKPT-GFCCVEGCSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CCC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001266335072 790529428 /nfs/dbraw/zinc/52/94/28/790529428.db2.gz GVFWQFAACOMKPT-GFCCVEGCSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CCC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001266335072 790529434 /nfs/dbraw/zinc/52/94/34/790529434.db2.gz GVFWQFAACOMKPT-GFCCVEGCSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CCC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001266335072 790529440 /nfs/dbraw/zinc/52/94/40/790529440.db2.gz GVFWQFAACOMKPT-GFCCVEGCSA-N 2 2 262.357 0.660 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192686 790529968 /nfs/dbraw/zinc/52/99/68/790529968.db2.gz LMAILTFYUOITNH-QLFBSQMISA-N 2 2 293.411 0.426 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192686 790529975 /nfs/dbraw/zinc/52/99/75/790529975.db2.gz LMAILTFYUOITNH-QLFBSQMISA-N 2 2 293.411 0.426 20 30 CCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192686 790529986 /nfs/dbraw/zinc/52/99/86/790529986.db2.gz LMAILTFYUOITNH-QLFBSQMISA-N 2 2 293.411 0.426 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192686 790529997 /nfs/dbraw/zinc/52/99/97/790529997.db2.gz LMAILTFYUOITNH-QLFBSQMISA-N 2 2 293.411 0.426 20 30 CCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266544787 790906876 /nfs/dbraw/zinc/90/68/76/790906876.db2.gz IXHYIQPTCBOGHB-GFCCVEGCSA-N 2 2 260.341 0.332 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266544787 790906884 /nfs/dbraw/zinc/90/68/84/790906884.db2.gz IXHYIQPTCBOGHB-GFCCVEGCSA-N 2 2 260.341 0.332 20 30 CCEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(C#N)ccc1O ZINC001232678796 805970294 /nfs/dbraw/zinc/97/02/94/805970294.db2.gz QMEWXLXNPBCDKW-UHFFFAOYSA-N 2 2 288.395 0.943 20 30 CCEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(C#N)ccc1O ZINC001232678796 805970295 /nfs/dbraw/zinc/97/02/95/805970295.db2.gz QMEWXLXNPBCDKW-UHFFFAOYSA-N 2 2 288.395 0.943 20 30 CCEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266995552 791428998 /nfs/dbraw/zinc/42/89/98/791428998.db2.gz IPALQJFKOYFMGS-SNVBAGLBSA-N 2 2 256.737 0.730 20 30 CCEDLP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001278098907 806666975 /nfs/dbraw/zinc/66/69/75/806666975.db2.gz AFCXZXNIZAGOLD-IJLUTSLNSA-N 2 2 278.356 0.156 20 30 CCEDLP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001278098907 806666982 /nfs/dbraw/zinc/66/69/82/806666982.db2.gz AFCXZXNIZAGOLD-IJLUTSLNSA-N 2 2 278.356 0.156 20 30 CCEDLP N#Cc1nccnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155364123 800959253 /nfs/dbraw/zinc/95/92/53/800959253.db2.gz UZYOOVPTGDFKCP-LBPRGKRZSA-N 2 2 272.356 0.208 20 30 CCEDLP N#Cc1c(F)ccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206539 801594300 /nfs/dbraw/zinc/59/43/00/801594300.db2.gz UJQBYMMZJKCTAD-MRVPVSSYSA-N 2 2 261.260 0.140 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001278308340 806926288 /nfs/dbraw/zinc/92/62/88/806926288.db2.gz MVYBLQDIOWWYGB-NEPJUHHUSA-N 2 2 260.341 0.555 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CCC2)CC1 ZINC001160431929 801939835 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ZINC001276611211 803570209 /nfs/dbraw/zinc/57/02/09/803570209.db2.gz ZWHCWUWWZGCMLZ-IYBDPMFKSA-N 2 2 287.411 0.717 20 30 CCEDLP Cn1cc(C[N@@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cc1C#N ZINC001276611211 803570212 /nfs/dbraw/zinc/57/02/12/803570212.db2.gz ZWHCWUWWZGCMLZ-IYBDPMFKSA-N 2 2 287.411 0.717 20 30 CCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214894795 803764099 /nfs/dbraw/zinc/76/40/99/803764099.db2.gz RTCPSQZELQMOOO-RGCMKSIDSA-N 2 2 286.379 0.973 20 30 CCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214894795 803764107 /nfs/dbraw/zinc/76/41/07/803764107.db2.gz RTCPSQZELQMOOO-RGCMKSIDSA-N 2 2 286.379 0.973 20 30 CCEDLP N#Cc1cccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218587061 804023286 /nfs/dbraw/zinc/02/32/86/804023286.db2.gz FOGUODYBXMFJMU-JTQLQIEISA-N 2 2 256.269 0.185 20 30 CCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(C#N)cc1C#N ZINC001219392933 804295845 /nfs/dbraw/zinc/29/58/45/804295845.db2.gz 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C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032331695 817888427 /nfs/dbraw/zinc/88/84/27/817888427.db2.gz HOGXRXPIFLYQTO-IHRRRGAJSA-N 2 2 279.384 0.178 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032331695 817888434 /nfs/dbraw/zinc/88/84/34/817888434.db2.gz HOGXRXPIFLYQTO-IHRRRGAJSA-N 2 2 279.384 0.178 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331695 817888439 /nfs/dbraw/zinc/88/84/39/817888439.db2.gz HOGXRXPIFLYQTO-IHRRRGAJSA-N 2 2 279.384 0.178 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331695 817888454 /nfs/dbraw/zinc/88/84/54/817888454.db2.gz HOGXRXPIFLYQTO-IHRRRGAJSA-N 2 2 279.384 0.178 20 30 CCEDLP CCc1nc(C#N)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168737061 818557400 /nfs/dbraw/zinc/55/74/00/818557400.db2.gz USELDJSABGPHQC-UHFFFAOYSA-N 2 2 273.344 0.505 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033451017 818781903 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C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035306114 819456569 /nfs/dbraw/zinc/45/65/69/819456569.db2.gz HJJWAPIPDYIMPM-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035306114 819456574 /nfs/dbraw/zinc/45/65/74/819456574.db2.gz HJJWAPIPDYIMPM-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001035390043 819505422 /nfs/dbraw/zinc/50/54/22/819505422.db2.gz VICVRDYKRCBACN-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001035390043 819505428 /nfs/dbraw/zinc/50/54/28/819505428.db2.gz VICVRDYKRCBACN-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035390043 819505434 /nfs/dbraw/zinc/50/54/34/819505434.db2.gz VICVRDYKRCBACN-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035390043 819505440 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837801662 /nfs/dbraw/zinc/80/16/62/837801662.db2.gz QNQSOIIVSKKCAM-GFCCVEGCSA-N 2 2 260.341 0.175 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481560 837804536 /nfs/dbraw/zinc/80/45/36/837804536.db2.gz WFWOMEAEVWUSQR-GFCCVEGCSA-N 2 2 260.341 0.175 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001108322630 835972424 /nfs/dbraw/zinc/97/24/24/835972424.db2.gz AGOAKUQSZJLUCK-OAHLLOKOSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108322630 835972427 /nfs/dbraw/zinc/97/24/27/835972427.db2.gz AGOAKUQSZJLUCK-OAHLLOKOSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108322630 835972436 /nfs/dbraw/zinc/97/24/36/835972436.db2.gz AGOAKUQSZJLUCK-OAHLLOKOSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108322630 835972447 /nfs/dbraw/zinc/97/24/47/835972447.db2.gz AGOAKUQSZJLUCK-OAHLLOKOSA-N 2 2 283.416 0.721 20 30 CCEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835084 836538217 /nfs/dbraw/zinc/53/82/17/836538217.db2.gz JVXJBDBBKQWEEM-ZNMIVQPWSA-N 2 2 286.379 0.876 20 30 CCEDLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001131380325 838075282 /nfs/dbraw/zinc/07/52/82/838075282.db2.gz JNCARRLOCGCSFA-UHFFFAOYSA-N 2 2 297.362 0.969 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001131822903 838233922 /nfs/dbraw/zinc/23/39/22/838233922.db2.gz XMBUKRHQSIZBRP-CQSZACIVSA-N 2 2 283.416 0.769 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001131822903 838233933 /nfs/dbraw/zinc/23/39/33/838233933.db2.gz XMBUKRHQSIZBRP-CQSZACIVSA-N 2 2 283.416 0.769 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221350 838340661 /nfs/dbraw/zinc/34/06/61/838340661.db2.gz GGLAIKRTWSJQLO-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132221350 838340665 /nfs/dbraw/zinc/34/06/65/838340665.db2.gz GGLAIKRTWSJQLO-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784124 838494591 /nfs/dbraw/zinc/49/45/91/838494591.db2.gz IRTGGHAJJWOFIB-OAHLLOKOSA-N 2 2 295.427 0.912 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784124 838494600 /nfs/dbraw/zinc/49/46/00/838494600.db2.gz IRTGGHAJJWOFIB-OAHLLOKOSA-N 2 2 295.427 0.912 20 30 CCEDLP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944714 839475572 /nfs/dbraw/zinc/47/55/72/839475572.db2.gz OIOLVGXGCSDWIL-NEPJUHHUSA-N 2 2 262.357 0.469 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170987361 839667584 /nfs/dbraw/zinc/66/75/84/839667584.db2.gz JMNBPXNZSNGZKL-UHFFFAOYSA-N 2 2 283.335 0.610 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176674939 842399170 /nfs/dbraw/zinc/39/91/70/842399170.db2.gz AVOYQHHKWJCMNA-OAHLLOKOSA-N 2 2 293.411 0.216 20 30 CCEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178418904 842845246 /nfs/dbraw/zinc/84/52/46/842845246.db2.gz XCNPCLVURAXDPG-SOUVJXGZSA-N 2 2 295.427 0.862 20 30 CCEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178418904 842845252 /nfs/dbraw/zinc/84/52/52/842845252.db2.gz XCNPCLVURAXDPG-SOUVJXGZSA-N 2 2 295.427 0.862 20 30 CCEDLP C#CC[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689798 843035364 /nfs/dbraw/zinc/03/53/64/843035364.db2.gz LLMWLUWBXBJJJW-UHFFFAOYSA-N 2 2 262.357 0.852 20 30 CCEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047404 845964245 /nfs/dbraw/zinc/96/42/45/845964245.db2.gz FRBRABAZTCDFFP-GFCCVEGCSA-N 2 2 260.341 0.508 20 30 CCEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047404 845964250 /nfs/dbraw/zinc/96/42/50/845964250.db2.gz FRBRABAZTCDFFP-GFCCVEGCSA-N 2 2 260.341 0.508 20 30 CCEDLP COCC#CC[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001275290200 848685674 /nfs/dbraw/zinc/68/56/74/848685674.db2.gz ZMBSIQAQEMOQFT-UHFFFAOYSA-N 2 2 290.367 0.086 20 30 CCEDLP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001275450465 848724864 /nfs/dbraw/zinc/72/48/64/848724864.db2.gz FRJKNVOMGKEKAJ-NEPJUHHUSA-N 2 2 262.357 0.469 20 30 CCEDLP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275579833 848767303 /nfs/dbraw/zinc/76/73/03/848767303.db2.gz GXXPMOBDBAUMRA-QWHCGFSZSA-N 2 2 278.356 0.016 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001095610612 848998257 /nfs/dbraw/zinc/99/82/57/848998257.db2.gz RRTXGZNPZCSGEX-NIFZNCRKSA-N 2 2 293.411 0.613 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001095610612 848998263 /nfs/dbraw/zinc/99/82/63/848998263.db2.gz RRTXGZNPZCSGEX-NIFZNCRKSA-N 2 2 293.411 0.613 20 30 CCEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095610612 848998267 /nfs/dbraw/zinc/99/82/67/848998267.db2.gz RRTXGZNPZCSGEX-NIFZNCRKSA-N 2 2 293.411 0.613 20 30 CCEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095610612 848998271 /nfs/dbraw/zinc/99/82/71/848998271.db2.gz RRTXGZNPZCSGEX-NIFZNCRKSA-N 2 2 293.411 0.613 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038453747 849907064 /nfs/dbraw/zinc/90/70/64/849907064.db2.gz IMYPAHLPWMZEKH-AWEZNQCLSA-N 2 2 275.396 0.829 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038453747 849907074 /nfs/dbraw/zinc/90/70/74/849907074.db2.gz IMYPAHLPWMZEKH-AWEZNQCLSA-N 2 2 275.396 0.829 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038918660 850083082 /nfs/dbraw/zinc/08/30/82/850083082.db2.gz FIXYKVRWZLDHQM-CYBMUJFWSA-N 2 2 261.369 0.296 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038918660 850083091 /nfs/dbraw/zinc/08/30/91/850083091.db2.gz FIXYKVRWZLDHQM-CYBMUJFWSA-N 2 2 261.369 0.296 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039039627 850132745 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C#CC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041524874 850458853 /nfs/dbraw/zinc/45/88/53/850458853.db2.gz YOVPMRBPRHNEOH-INIZCTEOSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001041524874 850458854 /nfs/dbraw/zinc/45/88/54/850458854.db2.gz YOVPMRBPRHNEOH-INIZCTEOSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041787714 850501622 /nfs/dbraw/zinc/50/16/22/850501622.db2.gz SOYKUTHQAXOULX-MRXNPFEDSA-N 2 2 286.379 0.520 20 30 CCEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041787714 850501633 /nfs/dbraw/zinc/50/16/33/850501633.db2.gz SOYKUTHQAXOULX-MRXNPFEDSA-N 2 2 286.379 0.520 20 30 CCEDLP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046221181 851430198 /nfs/dbraw/zinc/43/01/98/851430198.db2.gz XUDHRLRGKARKCL-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046221181 851430205 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20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001054721972 853003590 /nfs/dbraw/zinc/00/35/90/853003590.db2.gz PCPKAAHFQPLEPQ-AAEUAGOBSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483784 854564062 /nfs/dbraw/zinc/56/40/62/854564062.db2.gz LZVDZVUKAHQESV-UHFFFAOYSA-N 2 2 258.325 0.051 20 30 CCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483784 854564067 /nfs/dbraw/zinc/56/40/67/854564067.db2.gz LZVDZVUKAHQESV-UHFFFAOYSA-N 2 2 258.325 0.051 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001074718533 854769797 /nfs/dbraw/zinc/76/97/97/854769797.db2.gz XUIZQUUDFPEWDA-IHRRRGAJSA-N 2 2 286.379 0.658 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940538 855038665 /nfs/dbraw/zinc/03/86/65/855038665.db2.gz XEXBZSVRUPIRIS-KGLIPLIRSA-N 2 2 292.383 0.401 20 30 CCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940538 855038675 /nfs/dbraw/zinc/03/86/75/855038675.db2.gz XEXBZSVRUPIRIS-KGLIPLIRSA-N 2 2 292.383 0.401 20 30 CCEDLP C#CC[N@H+](CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001481003262 892042570 /nfs/dbraw/zinc/04/25/70/892042570.db2.gz BGCJXYZHOKPLMO-CYBMUJFWSA-N 2 2 262.357 0.906 20 30 CCEDLP C#CC[N@@H+](CC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001481003262 892042591 /nfs/dbraw/zinc/04/25/91/892042591.db2.gz BGCJXYZHOKPLMO-CYBMUJFWSA-N 2 2 262.357 0.906 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001481465402 892710039 /nfs/dbraw/zinc/71/00/39/892710039.db2.gz SPOLMFZJRHKMTB-AWEZNQCLSA-N 2 2 274.368 0.735 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001481465402 892710047 /nfs/dbraw/zinc/71/00/47/892710047.db2.gz SPOLMFZJRHKMTB-AWEZNQCLSA-N 2 2 274.368 0.735 20 30 CCEDLP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001282173485 892953884 /nfs/dbraw/zinc/95/38/84/892953884.db2.gz IDSJGZPMCLHDJF-VXGBXAGGSA-N 2 2 250.346 0.942 20 30 CCEDLP C=C(C)C[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001483082243 894888175 /nfs/dbraw/zinc/88/81/75/894888175.db2.gz NCLVWEDOLUCSLZ-PLNGDYQASA-N 2 2 262.357 0.801 20 30 CCEDLP COCC#CC[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001483253655 895387820 /nfs/dbraw/zinc/38/78/20/895387820.db2.gz KEDQMSUZFINCKM-ZDUSSCGKSA-N 2 2 278.356 0.017 20 30 CCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001279169899 897542453 /nfs/dbraw/zinc/54/24/53/897542453.db2.gz KLLYQZDZZGEALM-RYUDHWBXSA-N 2 2 260.341 0.270 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=C)C ZINC001032453385 897586583 /nfs/dbraw/zinc/58/65/83/897586583.db2.gz WPBSIYUZEYSNPB-JYJNAYRXSA-N 2 2 287.407 0.945 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(=C)C ZINC001032453385 897586596 /nfs/dbraw/zinc/58/65/96/897586596.db2.gz WPBSIYUZEYSNPB-JYJNAYRXSA-N 2 2 287.407 0.945 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC(=C)C ZINC001032453385 897586605 /nfs/dbraw/zinc/58/66/05/897586605.db2.gz WPBSIYUZEYSNPB-JYJNAYRXSA-N 2 2 287.407 0.945 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC(=C)C ZINC001032453385 897586618 /nfs/dbraw/zinc/58/66/18/897586618.db2.gz WPBSIYUZEYSNPB-JYJNAYRXSA-N 2 2 287.407 0.945 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001486118682 898674477 /nfs/dbraw/zinc/67/44/77/898674477.db2.gz HIBQCJHUNHVWLU-KBPBESRZSA-N 2 2 288.395 0.955 20 30 CCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001282510503 904499656 /nfs/dbraw/zinc/49/96/56/904499656.db2.gz ZBBKLAAURODZNO-ZDUSSCGKSA-N 2 2 281.400 0.210 20 30 CCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001282510503 904499667 /nfs/dbraw/zinc/49/96/67/904499667.db2.gz ZBBKLAAURODZNO-ZDUSSCGKSA-N 2 2 281.400 0.210 20 30 CCEDLP C#CC[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001283267851 904787121 /nfs/dbraw/zinc/78/71/21/904787121.db2.gz GXHBWTRDCHPWRS-NSHDSACASA-N 2 2 262.357 0.768 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC001334735120 906342387 /nfs/dbraw/zinc/34/23/87/906342387.db2.gz QQKZQAVPHWXTKG-LBPRGKRZSA-N 2 2 278.400 0.963 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC001334735120 906342402 /nfs/dbraw/zinc/34/24/02/906342402.db2.gz QQKZQAVPHWXTKG-LBPRGKRZSA-N 2 2 278.400 0.963 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001316788973 908772801 /nfs/dbraw/zinc/77/28/01/908772801.db2.gz LUFAZYUJJNTBOD-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001316788973 908772808 /nfs/dbraw/zinc/77/28/08/908772808.db2.gz LUFAZYUJJNTBOD-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C/C=C\Cl ZINC001317450570 909220480 /nfs/dbraw/zinc/22/04/80/909220480.db2.gz VKBFBHNBUXFYQD-VGVVRCBHSA-N 2 2 283.803 0.885 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C/C=C\Cl ZINC001317450570 909220495 /nfs/dbraw/zinc/22/04/95/909220495.db2.gz VKBFBHNBUXFYQD-VGVVRCBHSA-N 2 2 283.803 0.885 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C/C=C\Cl ZINC001317450570 909220508 /nfs/dbraw/zinc/22/05/08/909220508.db2.gz VKBFBHNBUXFYQD-VGVVRCBHSA-N 2 2 283.803 0.885 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C/C=C\Cl ZINC001317450570 909220519 /nfs/dbraw/zinc/22/05/19/909220519.db2.gz VKBFBHNBUXFYQD-VGVVRCBHSA-N 2 2 283.803 0.885 20 30 CCEDLP C#CC[NH+]1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001318179812 909653903 /nfs/dbraw/zinc/65/39/03/909653903.db2.gz OURMRQZURGPQKT-UHFFFAOYSA-N 2 2 285.391 0.800 20 30 CCEDLP C#CC[NH+]1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001318179812 909653908 /nfs/dbraw/zinc/65/39/08/909653908.db2.gz OURMRQZURGPQKT-UHFFFAOYSA-N 2 2 285.391 0.800 20 30 CCEDLP C=CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001320238775 910548326 /nfs/dbraw/zinc/54/83/26/910548326.db2.gz SPUAIDHLFNYOMF-CYBMUJFWSA-N 2 2 294.399 0.569 20 30 CCEDLP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320471740 910689455 /nfs/dbraw/zinc/68/94/55/910689455.db2.gz YHLLUJMWQCLVIJ-KGLIPLIRSA-N 2 2 288.395 0.953 20 30 CCEDLP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001322579767 911870809 /nfs/dbraw/zinc/87/08/09/911870809.db2.gz JDNOPSKHZWPDFN-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CC[NH2+]CCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001330826908 916897838 /nfs/dbraw/zinc/89/78/38/916897838.db2.gz KCXFNFVCZYPIDI-LBPRGKRZSA-N 2 2 262.357 0.850 20 30 CCEDLP C#CC[NH2+]CCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001330826908 916897850 /nfs/dbraw/zinc/89/78/50/916897850.db2.gz KCXFNFVCZYPIDI-LBPRGKRZSA-N 2 2 262.357 0.850 20 30 CCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001331455309 917344799 /nfs/dbraw/zinc/34/47/99/917344799.db2.gz MCVLSISTRBHZEU-ZDUSSCGKSA-N 2 2 288.395 0.832 20 30 CCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331739562 917562772 /nfs/dbraw/zinc/56/27/72/917562772.db2.gz MZWIQRIEVNDXAB-CYBMUJFWSA-N 2 2 294.399 0.569 20 30 CCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001332648964 918352728 /nfs/dbraw/zinc/35/27/28/918352728.db2.gz SRPWXHVRNIHQNF-CQSZACIVSA-N 2 2 294.399 0.600 20 30 CCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001332648964 918352741 /nfs/dbraw/zinc/35/27/41/918352741.db2.gz SRPWXHVRNIHQNF-CQSZACIVSA-N 2 2 294.399 0.600 20 30 CCEDLP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001332676699 918378179 /nfs/dbraw/zinc/37/81/79/918378179.db2.gz CXAYTDWDSCOFPO-AWEZNQCLSA-N 2 2 294.399 0.290 20 30 CCEDLP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001332676699 918378197 /nfs/dbraw/zinc/37/81/97/918378197.db2.gz CXAYTDWDSCOFPO-AWEZNQCLSA-N 2 2 294.399 0.290 20 30 CCEDLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC001356607103 926407167 /nfs/dbraw/zinc/40/71/67/926407167.db2.gz MXCQACULIHBTPH-OLZOCXBDSA-N 2 2 282.388 0.187 20 30 CCEDLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC001356607102 926408178 /nfs/dbraw/zinc/40/81/78/926408178.db2.gz MXCQACULIHBTPH-CHWSQXEVSA-N 2 2 282.388 0.187 20 30 CCEDLP N#CCCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001356623297 926413680 /nfs/dbraw/zinc/41/36/80/926413680.db2.gz YOOCOWMDEVWCFR-UHFFFAOYSA-N 2 2 267.377 0.403 20 30 CCEDLP C[NH+](C)C[C@@H]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330280866 282119709 /nfs/dbraw/zinc/11/97/09/282119709.db2.gz TVGYNTUVAQTOKJ-STQMWFEESA-N 2 2 291.399 0.995 20 30 CCEDLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330280866 282119716 /nfs/dbraw/zinc/11/97/16/282119716.db2.gz TVGYNTUVAQTOKJ-STQMWFEESA-N 2 2 291.399 0.995 20 30 CCEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000131689848 136389580 /nfs/dbraw/zinc/38/95/80/136389580.db2.gz BHUYEUSJIIRQFS-CYBMUJFWSA-N 2 2 297.366 0.755 20 30 CCEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCn1cc[nH+]c1 ZINC000131689848 136389581 /nfs/dbraw/zinc/38/95/81/136389581.db2.gz BHUYEUSJIIRQFS-CYBMUJFWSA-N 2 2 297.366 0.755 20 30 CCEDLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H](C)N1CC#N ZINC000602849225 362836361 /nfs/dbraw/zinc/83/63/61/362836361.db2.gz KFHMHWIOIKAKID-NFAWXSAZSA-N 2 2 280.416 0.360 20 30 CCEDLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H](C)N1CC#N ZINC000602849225 362836363 /nfs/dbraw/zinc/83/63/63/362836363.db2.gz KFHMHWIOIKAKID-NFAWXSAZSA-N 2 2 280.416 0.360 20 30 CCEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000049076845 348438980 /nfs/dbraw/zinc/43/89/80/348438980.db2.gz PUOZFLSMBXKOAX-CQSZACIVSA-N 2 2 286.335 0.784 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000266221464 352690612 /nfs/dbraw/zinc/69/06/12/352690612.db2.gz RHCVIRDEQPDDGX-ZDUSSCGKSA-N 2 2 276.340 0.581 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000266221464 352690613 /nfs/dbraw/zinc/69/06/13/352690613.db2.gz RHCVIRDEQPDDGX-ZDUSSCGKSA-N 2 2 276.340 0.581 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277107738 353223910 /nfs/dbraw/zinc/22/39/10/353223910.db2.gz GYHUZJSUGQJISB-OLZOCXBDSA-N 2 2 296.415 0.803 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277107738 353223911 /nfs/dbraw/zinc/22/39/11/353223911.db2.gz GYHUZJSUGQJISB-OLZOCXBDSA-N 2 2 296.415 0.803 20 30 CCEDLP C=C[C@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361116952 357044049 /nfs/dbraw/zinc/04/40/49/357044049.db2.gz GRKDQFSWDHOUCG-GFCCVEGCSA-N 2 2 270.373 0.541 20 30 CCEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000397804611 357772930 /nfs/dbraw/zinc/77/29/30/357772930.db2.gz GTHNTHUMXGAIEE-CYBMUJFWSA-N 2 2 264.373 0.386 20 30 CCEDLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000397804611 357772933 /nfs/dbraw/zinc/77/29/33/357772933.db2.gz GTHNTHUMXGAIEE-CYBMUJFWSA-N 2 2 264.373 0.386 20 30 CCEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573792930 358999206 /nfs/dbraw/zinc/99/92/06/358999206.db2.gz FOHISLWFYCDSKL-NPJQDHAYSA-N 2 2 298.427 0.780 20 30 CCEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573792930 358999208 /nfs/dbraw/zinc/99/92/08/358999208.db2.gz FOHISLWFYCDSKL-NPJQDHAYSA-N 2 2 298.427 0.780 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592484483 359853580 /nfs/dbraw/zinc/85/35/80/359853580.db2.gz CQMSPEVFVUHHQT-JTQLQIEISA-N 2 2 268.361 0.200 20 30 CCEDLP C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C[NH+]1CCOCC1 ZINC000598721514 361496285 /nfs/dbraw/zinc/49/62/85/361496285.db2.gz VASRCBNFMWSQPG-UONOGXRCSA-N 2 2 283.416 0.845 20 30 CCEDLP C=C[C@H](O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381573 365299127 /nfs/dbraw/zinc/29/91/27/365299127.db2.gz UWEFUPJUHIOCLS-HNNXBMFYSA-N 2 2 295.427 0.552 20 30 CCEDLP C=C[C@H](O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381573 365299132 /nfs/dbraw/zinc/29/91/32/365299132.db2.gz UWEFUPJUHIOCLS-HNNXBMFYSA-N 2 2 295.427 0.552 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596044 369734131 /nfs/dbraw/zinc/73/41/31/369734131.db2.gz QOOQMKMDWBDESQ-FPMFFAJLSA-N 2 2 251.374 0.609 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596044 369734133 /nfs/dbraw/zinc/73/41/33/369734133.db2.gz QOOQMKMDWBDESQ-FPMFFAJLSA-N 2 2 251.374 0.609 20 30 CCEDLP CC#CC[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000641767734 377452975 /nfs/dbraw/zinc/45/29/75/377452975.db2.gz PXPVMJZGTLXWEU-LLVKDONJSA-N 2 2 250.346 0.350 20 30 CCEDLP C#CC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000192221494 389028281 /nfs/dbraw/zinc/02/82/81/389028281.db2.gz ZFAZZXHOJQWOSR-OAHLLOKOSA-N 2 2 273.380 0.971 20 30 CCEDLP C#CC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000192221494 389028283 /nfs/dbraw/zinc/02/82/83/389028283.db2.gz ZFAZZXHOJQWOSR-OAHLLOKOSA-N 2 2 273.380 0.971 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337199098 389053857 /nfs/dbraw/zinc/05/38/57/389053857.db2.gz YLZBETBKLWWESF-HUUCEWRRSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337199098 389053861 /nfs/dbraw/zinc/05/38/61/389053861.db2.gz YLZBETBKLWWESF-HUUCEWRRSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000337129559 389045813 /nfs/dbraw/zinc/04/58/13/389045813.db2.gz JBJFRYXQIHFSHU-CYBMUJFWSA-N 2 2 251.374 0.799 20 30 CCEDLP C[N@H+](CCOCCC#N)C1CC[NH+](CCO)CC1 ZINC000338976435 389120462 /nfs/dbraw/zinc/12/04/62/389120462.db2.gz ZKGITXSQHSONMX-UHFFFAOYSA-N 2 2 255.362 0.305 20 30 CCEDLP C[N@@H+](CCOCCC#N)C1CC[NH+](CCO)CC1 ZINC000338976435 389120465 /nfs/dbraw/zinc/12/04/65/389120465.db2.gz ZKGITXSQHSONMX-UHFFFAOYSA-N 2 2 255.362 0.305 20 30 CCEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000123565405 389157064 /nfs/dbraw/zinc/15/70/64/389157064.db2.gz CMBBTVZROPGSDJ-LBPRGKRZSA-N 2 2 275.356 0.314 20 30 CCEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000123565405 389157067 /nfs/dbraw/zinc/15/70/67/389157067.db2.gz CMBBTVZROPGSDJ-LBPRGKRZSA-N 2 2 275.356 0.314 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2CCOCC2)CC1 ZINC000155787551 389321478 /nfs/dbraw/zinc/32/14/78/389321478.db2.gz FNTLAVCLJQBWFK-UHFFFAOYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150802613 389274487 /nfs/dbraw/zinc/27/44/87/389274487.db2.gz FMZWHFWXQLREOU-UONOGXRCSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150802613 389274489 /nfs/dbraw/zinc/27/44/89/389274489.db2.gz FMZWHFWXQLREOU-UONOGXRCSA-N 2 2 263.385 0.542 20 30 CCEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)CO)CC2)cc1 ZINC000276836878 389544770 /nfs/dbraw/zinc/54/47/70/389544770.db2.gz YHDAYDWRGOALNE-MRXNPFEDSA-N 2 2 289.379 0.465 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000282067916 389652960 /nfs/dbraw/zinc/65/29/60/389652960.db2.gz SQDSZCLLEMLEKL-CYBMUJFWSA-N 2 2 262.357 0.992 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000282067916 389652965 /nfs/dbraw/zinc/65/29/65/389652965.db2.gz SQDSZCLLEMLEKL-CYBMUJFWSA-N 2 2 262.357 0.992 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000491376170 390112623 /nfs/dbraw/zinc/11/26/23/390112623.db2.gz YYIFICUSIZBDCG-CQSZACIVSA-N 2 2 281.400 0.072 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000491376170 390112624 /nfs/dbraw/zinc/11/26/24/390112624.db2.gz YYIFICUSIZBDCG-CQSZACIVSA-N 2 2 281.400 0.072 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)=C[C@H](C)C2)CC1 ZINC000491524683 390114459 /nfs/dbraw/zinc/11/44/59/390114459.db2.gz NJVYOWNCVXTMAE-AWEZNQCLSA-N 2 2 275.396 0.662 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)=C[C@H](C)C2)CC1 ZINC000491524683 390114460 /nfs/dbraw/zinc/11/44/60/390114460.db2.gz NJVYOWNCVXTMAE-AWEZNQCLSA-N 2 2 275.396 0.662 20 30 CCEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000526135670 390680731 /nfs/dbraw/zinc/68/07/31/390680731.db2.gz ODSSFGBOKSCJMS-AWEZNQCLSA-N 2 2 290.411 0.967 20 30 CCEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000526135670 390680733 /nfs/dbraw/zinc/68/07/33/390680733.db2.gz ODSSFGBOKSCJMS-AWEZNQCLSA-N 2 2 290.411 0.967 20 30 CCEDLP C[C@@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+](C)C1CC1 ZINC000567378316 390696049 /nfs/dbraw/zinc/69/60/49/390696049.db2.gz YCUDTVUGWAGABH-GXTWGEPZSA-N 2 2 268.405 0.265 20 30 CCEDLP C[C@@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+](C)C1CC1 ZINC000567378316 390696052 /nfs/dbraw/zinc/69/60/52/390696052.db2.gz YCUDTVUGWAGABH-GXTWGEPZSA-N 2 2 268.405 0.265 20 30 CCEDLP C[C@@H](CNC[C@@H](O)C[NH+](C)CCC#N)[N@H+](C)C1CC1 ZINC000567378316 390696054 /nfs/dbraw/zinc/69/60/54/390696054.db2.gz YCUDTVUGWAGABH-GXTWGEPZSA-N 2 2 268.405 0.265 20 30 CCEDLP C[C@@H](CNC[C@@H](O)C[NH+](C)CCC#N)[N@@H+](C)C1CC1 ZINC000567378316 390696057 /nfs/dbraw/zinc/69/60/57/390696057.db2.gz YCUDTVUGWAGABH-GXTWGEPZSA-N 2 2 268.405 0.265 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000578713846 390898651 /nfs/dbraw/zinc/89/86/51/390898651.db2.gz BGJZWHBXKZNZSV-HIFRSBDPSA-N 2 2 290.411 0.965 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000578713846 390898653 /nfs/dbraw/zinc/89/86/53/390898653.db2.gz BGJZWHBXKZNZSV-HIFRSBDPSA-N 2 2 290.411 0.965 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000578713846 390898654 /nfs/dbraw/zinc/89/86/54/390898654.db2.gz BGJZWHBXKZNZSV-HIFRSBDPSA-N 2 2 290.411 0.965 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000578713846 390898656 /nfs/dbraw/zinc/89/86/56/390898656.db2.gz BGJZWHBXKZNZSV-HIFRSBDPSA-N 2 2 290.411 0.965 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)OCCn2cc[nH+]c2)CC1 ZINC000490839739 261222524 /nfs/dbraw/zinc/22/25/24/261222524.db2.gz JWWBFWOCPDAKGD-UHFFFAOYSA-N 2 2 261.325 0.772 20 30 CCEDLP CC[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)NC1CC1 ZINC000171612996 329077920 /nfs/dbraw/zinc/07/79/20/329077920.db2.gz LCMWKSZBNCOWHF-UHFFFAOYSA-N 2 2 268.405 0.815 20 30 CCEDLP CC[NH+]=C(NCC[N@H+]1CCOCC1(C)C)NC1CC1 ZINC000171612996 329077922 /nfs/dbraw/zinc/07/79/22/329077922.db2.gz LCMWKSZBNCOWHF-UHFFFAOYSA-N 2 2 268.405 0.815 20 30 CCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NC2CC2)cc1 ZINC000266998816 328171141 /nfs/dbraw/zinc/17/11/41/328171141.db2.gz GAMXILDYIODAFG-UHFFFAOYSA-N 2 2 290.367 0.664 20 30 CCEDLP CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000584122265 327044882 /nfs/dbraw/zinc/04/48/82/327044882.db2.gz MHRTVGCGLUJYLZ-QWHCGFSZSA-N 2 2 266.389 0.821 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261663540 329975499 /nfs/dbraw/zinc/97/54/99/329975499.db2.gz BCFQXOINPXOCTK-CQSZACIVSA-N 2 2 266.389 0.380 20 30 CCEDLP C=C(C)COCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422988657 330162899 /nfs/dbraw/zinc/16/28/99/330162899.db2.gz JRASIHFYCKDPQW-KGLIPLIRSA-N 2 2 254.374 0.936 20 30 CCEDLP CN(C)c1ccc(CNC(=O)[C@H]([NH3+])CCCC#N)c[nH+]1 ZINC000424134913 330267896 /nfs/dbraw/zinc/26/78/96/330267896.db2.gz OLIGENYCEPUCIN-GFCCVEGCSA-N 2 2 275.356 0.785 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000490670393 332101626 /nfs/dbraw/zinc/10/16/26/332101626.db2.gz MCIXSALZZWJSON-UHFFFAOYSA-N 2 2 272.352 0.612 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000490799153 332116162 /nfs/dbraw/zinc/11/61/62/332116162.db2.gz CBGIUTHKELZUQK-HZPDHXFCSA-N 2 2 289.423 0.886 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000491821603 332370713 /nfs/dbraw/zinc/37/07/13/332370713.db2.gz XCLZRKUCVNNBGX-AWEZNQCLSA-N 2 2 263.385 0.732 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000491821603 332370714 /nfs/dbraw/zinc/37/07/14/332370714.db2.gz XCLZRKUCVNNBGX-AWEZNQCLSA-N 2 2 263.385 0.732 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCC2CC2)CC1 ZINC000135262203 334122424 /nfs/dbraw/zinc/12/24/24/334122424.db2.gz GBPYWFPTCAVZQS-UHFFFAOYSA-N 2 2 263.385 0.496 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCC2CC2)CC1 ZINC000135262203 334122427 /nfs/dbraw/zinc/12/24/27/334122427.db2.gz GBPYWFPTCAVZQS-UHFFFAOYSA-N 2 2 263.385 0.496 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581072032 336004060 /nfs/dbraw/zinc/00/40/60/336004060.db2.gz KQAWJZKJUUZEJH-OCCSQVGLSA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581072032 336004062 /nfs/dbraw/zinc/00/40/62/336004062.db2.gz KQAWJZKJUUZEJH-OCCSQVGLSA-N 2 2 251.374 0.753 20 30 CCEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000566428783 517764178 /nfs/dbraw/zinc/76/41/78/517764178.db2.gz JYGIBDMCFXPORB-LBPRGKRZSA-N 2 2 266.389 0.869 20 30 CCEDLP C=CCN1CC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C1=O ZINC000352812101 526484612 /nfs/dbraw/zinc/48/46/12/526484612.db2.gz YVEWIDISUQRYSS-CQSZACIVSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C[C@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000669253089 545203539 /nfs/dbraw/zinc/20/35/39/545203539.db2.gz VJHKZDLRSKQTRQ-AWEZNQCLSA-N 2 2 295.427 0.600 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000730833832 581740217 /nfs/dbraw/zinc/74/02/17/581740217.db2.gz TZMRPPZMTSOLQZ-HNNXBMFYSA-N 2 2 285.347 0.769 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000730833832 581740221 /nfs/dbraw/zinc/74/02/21/581740221.db2.gz TZMRPPZMTSOLQZ-HNNXBMFYSA-N 2 2 285.347 0.769 20 30 CCEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCCC#N ZINC000749535107 582012012 /nfs/dbraw/zinc/01/20/12/582012012.db2.gz HOUIRBQHODSWSF-RDBSUJKOSA-N 2 2 294.399 0.200 20 30 CCEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCCC#N ZINC000749535107 582012013 /nfs/dbraw/zinc/01/20/13/582012013.db2.gz HOUIRBQHODSWSF-RDBSUJKOSA-N 2 2 294.399 0.200 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000764096739 582031217 /nfs/dbraw/zinc/03/12/17/582031217.db2.gz FLBPPFCDTXZWNZ-UHFFFAOYSA-N 2 2 288.395 0.844 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738334693 582037469 /nfs/dbraw/zinc/03/74/69/582037469.db2.gz KCJUMXUDLMBPBU-CQSZACIVSA-N 2 2 263.385 0.686 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738334693 582037471 /nfs/dbraw/zinc/03/74/71/582037471.db2.gz KCJUMXUDLMBPBU-CQSZACIVSA-N 2 2 263.385 0.686 20 30 CCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000775788735 582038228 /nfs/dbraw/zinc/03/82/28/582038228.db2.gz JGCFUCBMLQWVEA-HZSPNIEDSA-N 2 2 252.358 0.214 20 30 CCEDLP CN(C)c1cc[nH+]cc1C=[NH+]N[C@H]1CCS(=O)(=O)C1 ZINC000776177437 582056133 /nfs/dbraw/zinc/05/61/33/582056133.db2.gz NNRVJYQRVAEWHP-NSHDSACASA-N 2 2 282.369 0.258 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260823 612948077 /nfs/dbraw/zinc/94/80/77/612948077.db2.gz GGXVWDNMGUYFNS-UONOGXRCSA-N 2 2 286.379 0.730 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260823 612948079 /nfs/dbraw/zinc/94/80/79/612948079.db2.gz GGXVWDNMGUYFNS-UONOGXRCSA-N 2 2 286.379 0.730 20 30 CCEDLP C#CC[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000891749154 613107210 /nfs/dbraw/zinc/10/72/10/613107210.db2.gz URSBEIOUHHODEY-CQSZACIVSA-N 2 2 284.425 0.451 20 30 CCEDLP C#CC[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000891749154 613107212 /nfs/dbraw/zinc/10/72/12/613107212.db2.gz URSBEIOUHHODEY-CQSZACIVSA-N 2 2 284.425 0.451 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981354136 612957215 /nfs/dbraw/zinc/95/72/15/612957215.db2.gz OGAYTDCWQPHUGV-VXGBXAGGSA-N 2 2 260.341 0.602 20 30 CCEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981408053 612973274 /nfs/dbraw/zinc/97/32/74/612973274.db2.gz AAIWOUBSXQQAMU-RYUDHWBXSA-N 2 2 260.341 0.602 20 30 CCEDLP C#CCCCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000877959431 612976826 /nfs/dbraw/zinc/97/68/26/612976826.db2.gz WVWJXMBSLPSHDH-UHFFFAOYSA-N 2 2 265.401 0.886 20 30 CCEDLP C#CCOCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000852155053 612982300 /nfs/dbraw/zinc/98/23/00/612982300.db2.gz XSJZNQQMOYQATE-UHFFFAOYSA-N 2 2 266.385 0.463 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947860974 613018008 /nfs/dbraw/zinc/01/80/08/613018008.db2.gz CNDUTUVCGWNXET-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947860974 613018009 /nfs/dbraw/zinc/01/80/09/613018009.db2.gz CNDUTUVCGWNXET-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972992198 613032461 /nfs/dbraw/zinc/03/24/61/613032461.db2.gz PUCZGOOBUMHKQF-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972992198 613032462 /nfs/dbraw/zinc/03/24/62/613032462.db2.gz PUCZGOOBUMHKQF-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992198 613032464 /nfs/dbraw/zinc/03/24/64/613032464.db2.gz PUCZGOOBUMHKQF-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992198 613032466 /nfs/dbraw/zinc/03/24/66/613032466.db2.gz PUCZGOOBUMHKQF-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[C@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000883124795 613058814 /nfs/dbraw/zinc/05/88/14/613058814.db2.gz PYJGEEZNBANLBX-SNVBAGLBSA-N 2 2 253.371 0.679 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971820381 613091775 /nfs/dbraw/zinc/09/17/75/613091775.db2.gz DFMLIXUGHXYJDJ-KGLIPLIRSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971820381 613091776 /nfs/dbraw/zinc/09/17/76/613091776.db2.gz DFMLIXUGHXYJDJ-KGLIPLIRSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000891749153 613107055 /nfs/dbraw/zinc/10/70/55/613107055.db2.gz URSBEIOUHHODEY-AWEZNQCLSA-N 2 2 284.425 0.451 20 30 CCEDLP C#CC[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000891749153 613107056 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C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000960343365 613202676 /nfs/dbraw/zinc/20/26/76/613202676.db2.gz CQODTOPDTREYHN-RFQIPJPRSA-N 2 2 279.359 0.100 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21 ZINC000960343365 613202677 /nfs/dbraw/zinc/20/26/77/613202677.db2.gz CQODTOPDTREYHN-RFQIPJPRSA-N 2 2 279.359 0.100 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCF)C[C@H]21 ZINC000960343365 613202678 /nfs/dbraw/zinc/20/26/78/613202678.db2.gz CQODTOPDTREYHN-RFQIPJPRSA-N 2 2 279.359 0.100 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968652395 613213969 /nfs/dbraw/zinc/21/39/69/613213969.db2.gz RNGABWQHPDXJEX-KGLIPLIRSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968652395 613213970 /nfs/dbraw/zinc/21/39/70/613213970.db2.gz RNGABWQHPDXJEX-KGLIPLIRSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061685 613260929 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294.399 0.981 20 30 CCEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157747867 801471491 /nfs/dbraw/zinc/47/14/91/801471491.db2.gz JNNKLJXGXDHPBB-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157747867 801471494 /nfs/dbraw/zinc/47/14/94/801471494.db2.gz JNNKLJXGXDHPBB-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001157747867 801471502 /nfs/dbraw/zinc/47/15/02/801471502.db2.gz JNNKLJXGXDHPBB-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001157747867 801471510 /nfs/dbraw/zinc/47/15/10/801471510.db2.gz JNNKLJXGXDHPBB-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP Cc1nc(C#N)cnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158266569 801609889 /nfs/dbraw/zinc/60/98/89/801609889.db2.gz CVFJXJGVOOWFPP-LBPRGKRZSA-N 2 2 286.383 0.659 20 30 CCEDLP Cc1nc(C#N)cnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158266569 801609893 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[NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(C#Cc3ccccc3)CC2)C1 ZINC001161152263 802102618 /nfs/dbraw/zinc/10/26/18/802102618.db2.gz DXCKCFZDBBYBDV-SJORKVTESA-N 2 2 297.402 0.966 20 30 CCEDLP C=CCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593555 802575059 /nfs/dbraw/zinc/57/50/59/802575059.db2.gz KMYSIOWMCAFUGB-UHFFFAOYSA-N 2 2 250.346 0.945 20 30 CCEDLP Cc1[nH+]c2c(n1-c1cnc(C#N)c(C#N)n1)CC[NH2+]CC2 ZINC001165354888 802826198 /nfs/dbraw/zinc/82/61/98/802826198.db2.gz LKSKCETYFUOHDS-UHFFFAOYSA-N 2 2 279.307 0.402 20 30 CCEDLP Cc1[nH+]c2c(n1-c1cncc(C#N)n1)CC[NH2+]CC2 ZINC001165351758 802826500 /nfs/dbraw/zinc/82/65/00/802826500.db2.gz IJLKGRBXODDSGX-UHFFFAOYSA-N 2 2 254.297 0.531 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208680213 803536822 /nfs/dbraw/zinc/53/68/22/803536822.db2.gz TVRRKFHPWACFLD-CQSZACIVSA-N 2 2 288.395 0.957 20 30 CCEDLP Cc1noc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1C#N ZINC001218504658 803972465 /nfs/dbraw/zinc/97/24/65/803972465.db2.gz VSVUUDGEIZLRPP-UHFFFAOYSA-N 2 2 263.301 0.135 20 30 CCEDLP Cc1ncc(C#N)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218659159 804068502 /nfs/dbraw/zinc/06/85/02/804068502.db2.gz NAHCDQVSRQXSET-GYSYKLTISA-N 2 2 271.324 0.422 20 30 CCEDLP COc1cccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1C#N ZINC001218978521 804173417 /nfs/dbraw/zinc/17/34/17/804173417.db2.gz QZCBAEVAOMJXIS-UHFFFAOYSA-N 2 2 288.351 0.847 20 30 CCEDLP C#Cc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1F ZINC001219384087 804294505 /nfs/dbraw/zinc/29/45/05/804294505.db2.gz IIGQPLUDUSRCAB-UHFFFAOYSA-N 2 2 261.300 0.826 20 30 CCEDLP N#C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccccc1 ZINC001219558372 804346805 /nfs/dbraw/zinc/34/68/05/804346805.db2.gz OWSQRKLOIDYDTP-IPYPFGDCSA-N 2 2 270.336 0.319 20 30 CCEDLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N=C(NO)c1ccc(C)cn1 ZINC001220336718 804577014 /nfs/dbraw/zinc/57/70/14/804577014.db2.gz CUOMOPLXUVHNQB-LBPRGKRZSA-N 2 2 293.371 0.359 20 30 CCEDLP CC(C)C[C@@H](C#N)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220700863 804652382 /nfs/dbraw/zinc/65/23/82/804652382.db2.gz QGTSPUPQQNFXIL-WGBDABJCSA-N 2 2 250.346 0.263 20 30 CCEDLP C=C1CC=C(F)C=C1NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220797233 804669099 /nfs/dbraw/zinc/66/90/99/804669099.db2.gz MELNJUDXQRCZDU-YGRLFVJLSA-N 2 2 263.316 0.751 20 30 CCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852404 804681528 /nfs/dbraw/zinc/68/15/28/804681528.db2.gz IJHTZYVNKCUBBB-KGLIPLIRSA-N 2 2 292.383 0.388 20 30 CCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852404 804681534 /nfs/dbraw/zinc/68/15/34/804681534.db2.gz IJHTZYVNKCUBBB-KGLIPLIRSA-N 2 2 292.383 0.388 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088622426 815037566 /nfs/dbraw/zinc/03/75/66/815037566.db2.gz WBNSPACCFFWFMB-RDBSUJKOSA-N 2 2 286.379 0.973 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088622426 815037572 /nfs/dbraw/zinc/03/75/72/815037572.db2.gz WBNSPACCFFWFMB-RDBSUJKOSA-N 2 2 286.379 0.973 20 30 CCEDLP C=C[C@@](C)(O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001245985378 807106876 /nfs/dbraw/zinc/10/68/76/807106876.db2.gz RNRORCGDBHNMIL-SMDDNHRTSA-N 2 2 272.389 0.962 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC[NH+](C)CC1 ZINC001246307812 807216800 /nfs/dbraw/zinc/21/68/00/807216800.db2.gz OQGGEFMNLWBBMV-AWEZNQCLSA-N 3 2 283.416 0.897 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCN(C)CC1 ZINC001246307812 807216804 /nfs/dbraw/zinc/21/68/04/807216804.db2.gz OQGGEFMNLWBBMV-AWEZNQCLSA-N 2 2 283.416 0.897 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001278526813 807565253 /nfs/dbraw/zinc/56/52/53/807565253.db2.gz MYJOJDJAJGQNQA-ZFWWWQNUSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001278526813 807565258 /nfs/dbraw/zinc/56/52/58/807565258.db2.gz MYJOJDJAJGQNQA-ZFWWWQNUSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001251835473 807715175 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20 30 CCEDLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001255951252 808441289 /nfs/dbraw/zinc/44/12/89/808441289.db2.gz OTPFXNAUTGUJFA-SRVKXCTJSA-N 2 2 257.378 0.933 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076106091 815244636 /nfs/dbraw/zinc/24/46/36/815244636.db2.gz VIPCASIBOQPSOH-UONOGXRCSA-N 2 2 274.368 0.992 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076106091 815244639 /nfs/dbraw/zinc/24/46/39/815244639.db2.gz VIPCASIBOQPSOH-UONOGXRCSA-N 2 2 274.368 0.992 20 30 CCEDLP C[N@H+](C[C@H](O)C[NH2+]CC#C[C@H]1CCCCO1)C1CC1 ZINC001262578503 809354412 /nfs/dbraw/zinc/35/44/12/809354412.db2.gz REQHLJUIEMGIQQ-HUUCEWRRSA-N 2 2 266.385 0.604 20 30 CCEDLP C[N@@H+](C[C@H](O)C[NH2+]CC#C[C@H]1CCCCO1)C1CC1 ZINC001262578503 809354419 /nfs/dbraw/zinc/35/44/19/809354419.db2.gz REQHLJUIEMGIQQ-HUUCEWRRSA-N 2 2 266.385 0.604 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001264380275 809646336 /nfs/dbraw/zinc/64/63/36/809646336.db2.gz GHRARQKESZXENC-HUUCEWRRSA-N 2 2 293.411 0.121 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001264380275 809646339 /nfs/dbraw/zinc/64/63/39/809646339.db2.gz GHRARQKESZXENC-HUUCEWRRSA-N 2 2 293.411 0.121 20 30 CCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001264380275 809646343 /nfs/dbraw/zinc/64/63/43/809646343.db2.gz GHRARQKESZXENC-HUUCEWRRSA-N 2 2 293.411 0.121 20 30 CCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001264380275 809646347 /nfs/dbraw/zinc/64/63/47/809646347.db2.gz GHRARQKESZXENC-HUUCEWRRSA-N 2 2 293.411 0.121 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001265594426 809811346 /nfs/dbraw/zinc/81/13/46/809811346.db2.gz AZNCPMCPZXPCSE-CYBMUJFWSA-N 2 2 274.368 0.424 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001265594426 809811353 /nfs/dbraw/zinc/81/13/53/809811353.db2.gz AZNCPMCPZXPCSE-CYBMUJFWSA-N 2 2 274.368 0.424 20 30 CCEDLP C#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001267381357 811251019 /nfs/dbraw/zinc/25/10/19/811251019.db2.gz AYFPQEBZDFFZJN-HNNXBMFYSA-N 2 2 282.347 0.963 20 30 CCEDLP C=CCC[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267669312 811634113 /nfs/dbraw/zinc/63/41/13/811634113.db2.gz GJVNNPRLWBHBSW-ZDUSSCGKSA-N 2 2 281.400 0.331 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607444 815534807 /nfs/dbraw/zinc/53/48/07/815534807.db2.gz YMSONRZGUVZIQP-CABCVRRESA-N 2 2 298.346 0.133 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607444 815534808 /nfs/dbraw/zinc/53/48/08/815534808.db2.gz YMSONRZGUVZIQP-CABCVRRESA-N 2 2 298.346 0.133 20 30 CCEDLP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268460877 812601516 /nfs/dbraw/zinc/60/15/16/812601516.db2.gz XTMJKCJACRFLQZ-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CCC[NH2+]C/C=C\CNC(=O)Cc1[nH]c[nH+]c1C ZINC001268619767 812950432 /nfs/dbraw/zinc/95/04/32/812950432.db2.gz TXTFKFVACJHHCA-WAYWQWQTSA-N 2 2 260.341 0.546 20 30 CCEDLP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268804040 813095105 /nfs/dbraw/zinc/09/51/05/813095105.db2.gz WTPBSIMQUWYJCH-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP CC#CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001269120384 813225113 /nfs/dbraw/zinc/22/51/13/813225113.db2.gz LUAZZYWLCBVVAA-CYBMUJFWSA-N 2 2 260.341 0.460 20 30 CCEDLP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001270436636 813763885 /nfs/dbraw/zinc/76/38/85/813763885.db2.gz PTZOHFOMWBUWOR-UONOGXRCSA-N 2 2 288.395 0.811 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](C(C)C)C1 ZINC001271160499 814253190 /nfs/dbraw/zinc/25/31/90/814253190.db2.gz UIROBRHWZPGSNZ-GOEBONIOSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C(C)C)C1 ZINC001271160499 814253193 /nfs/dbraw/zinc/25/31/93/814253193.db2.gz UIROBRHWZPGSNZ-GOEBONIOSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](C(C)C)C1 ZINC001271160499 814253199 /nfs/dbraw/zinc/25/31/99/814253199.db2.gz UIROBRHWZPGSNZ-GOEBONIOSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](C(C)C)C1 ZINC001271160499 814253209 /nfs/dbraw/zinc/25/32/09/814253209.db2.gz UIROBRHWZPGSNZ-GOEBONIOSA-N 2 2 293.411 0.045 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203443843 814279605 /nfs/dbraw/zinc/27/96/05/814279605.db2.gz OUZHQGOFFYZFRM-UONOGXRCSA-N 2 2 286.379 0.993 20 30 CCEDLP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046217797 816443901 /nfs/dbraw/zinc/44/39/01/816443901.db2.gz HVINSESKPDMZNH-UKRRQHHQSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046217797 816443903 /nfs/dbraw/zinc/44/39/03/816443903.db2.gz HVINSESKPDMZNH-UKRRQHHQSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046217797 816443912 /nfs/dbraw/zinc/44/39/12/816443912.db2.gz HVINSESKPDMZNH-UKRRQHHQSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046217797 816443918 /nfs/dbraw/zinc/44/39/18/816443918.db2.gz HVINSESKPDMZNH-UKRRQHHQSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030959883 816504871 /nfs/dbraw/zinc/50/48/71/816504871.db2.gz FSSQRIAIBLFMHY-AAEUAGOBSA-N 2 2 251.374 0.561 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030959883 816504876 /nfs/dbraw/zinc/50/48/76/816504876.db2.gz FSSQRIAIBLFMHY-AAEUAGOBSA-N 2 2 251.374 0.561 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC=C)C1 ZINC001031741466 817306145 /nfs/dbraw/zinc/30/61/45/817306145.db2.gz ZWYWGKVPFJGCJK-AWEZNQCLSA-N 2 2 261.369 0.318 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC=C)C1 ZINC001031741466 817306152 /nfs/dbraw/zinc/30/61/52/817306152.db2.gz ZWYWGKVPFJGCJK-AWEZNQCLSA-N 2 2 261.369 0.318 20 30 CCEDLP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783662 817365781 /nfs/dbraw/zinc/36/57/81/817365781.db2.gz DMXWMNPJVWMMSD-CQSZACIVSA-N 2 2 286.379 0.517 20 30 CCEDLP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975322 818400910 /nfs/dbraw/zinc/40/09/10/818400910.db2.gz HKOMIUAOUVTBTI-STQMWFEESA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032975322 818400915 /nfs/dbraw/zinc/40/09/15/818400915.db2.gz HKOMIUAOUVTBTI-STQMWFEESA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032975322 818400921 /nfs/dbraw/zinc/40/09/21/818400921.db2.gz HKOMIUAOUVTBTI-STQMWFEESA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032975322 818400924 /nfs/dbraw/zinc/40/09/24/818400924.db2.gz HKOMIUAOUVTBTI-STQMWFEESA-N 2 2 267.373 0.036 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033620168 818856288 /nfs/dbraw/zinc/85/62/88/818856288.db2.gz OBLKZPOFTDLZLI-ZDUSSCGKSA-N 2 2 274.368 0.817 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033620168 818856293 /nfs/dbraw/zinc/85/62/93/818856293.db2.gz OBLKZPOFTDLZLI-ZDUSSCGKSA-N 2 2 274.368 0.817 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001035614769 819590863 /nfs/dbraw/zinc/59/08/63/819590863.db2.gz RYSFBGULUBGYAW-GJZGRUSLSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001035614769 819590867 /nfs/dbraw/zinc/59/08/67/819590867.db2.gz RYSFBGULUBGYAW-GJZGRUSLSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035614769 819590871 /nfs/dbraw/zinc/59/08/71/819590871.db2.gz RYSFBGULUBGYAW-GJZGRUSLSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035614769 819590876 /nfs/dbraw/zinc/59/08/76/819590876.db2.gz RYSFBGULUBGYAW-GJZGRUSLSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001036114084 819689506 /nfs/dbraw/zinc/68/95/06/819689506.db2.gz BCWXEQIONXRGBC-ZIAGYGMSSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001036242811 819712016 /nfs/dbraw/zinc/71/20/16/819712016.db2.gz WBUYYALJMPVNDO-NWDGAFQWSA-N 2 2 260.341 0.412 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888079 820092781 /nfs/dbraw/zinc/09/27/81/820092781.db2.gz YXVKABKLPBRIAG-CABCVRRESA-N 2 2 295.427 0.456 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083888079 820092792 /nfs/dbraw/zinc/09/27/92/820092792.db2.gz YXVKABKLPBRIAG-CABCVRRESA-N 2 2 295.427 0.456 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](OC)C1 ZINC001082384831 820953493 /nfs/dbraw/zinc/95/34/93/820953493.db2.gz NJYQLSOPKPXCIA-QLFBSQMISA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001082384831 820953498 /nfs/dbraw/zinc/95/34/98/820953498.db2.gz NJYQLSOPKPXCIA-QLFBSQMISA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384831 820953503 /nfs/dbraw/zinc/95/35/03/820953503.db2.gz NJYQLSOPKPXCIA-QLFBSQMISA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384831 820953507 /nfs/dbraw/zinc/95/35/07/820953507.db2.gz NJYQLSOPKPXCIA-QLFBSQMISA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804798 821312289 /nfs/dbraw/zinc/31/22/89/821312289.db2.gz RXLHMJTZSPGBOA-RYUDHWBXSA-N 2 2 278.356 0.080 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804798 821312299 /nfs/dbraw/zinc/31/22/99/821312299.db2.gz RXLHMJTZSPGBOA-RYUDHWBXSA-N 2 2 278.356 0.080 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001085438580 821691153 /nfs/dbraw/zinc/69/11/53/821691153.db2.gz UYGDBFHGQORKKW-CHWSQXEVSA-N 2 2 260.341 0.533 20 30 CCEDLP COCC#CC[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130165254 837712200 /nfs/dbraw/zinc/71/22/00/837712200.db2.gz VIDZFUIFPIBPAF-UHFFFAOYSA-N 2 2 292.383 0.282 20 30 CCEDLP N#Cc1cc([N+](=O)[O-])ccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075268 836129006 /nfs/dbraw/zinc/12/90/06/836129006.db2.gz WYCFUWWFDPLSSQ-SNVBAGLBSA-N 2 2 287.279 0.514 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001112987354 836986254 /nfs/dbraw/zinc/98/62/54/836986254.db2.gz DVRLDSDYOZHYDK-HNNXBMFYSA-N 2 2 297.443 0.919 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847109 839852064 /nfs/dbraw/zinc/85/20/64/839852064.db2.gz NOBXBCSZGRXMBU-QWHCGFSZSA-N 2 2 278.356 0.011 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847109 839852071 /nfs/dbraw/zinc/85/20/71/839852071.db2.gz NOBXBCSZGRXMBU-QWHCGFSZSA-N 2 2 278.356 0.011 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146509776 840316345 /nfs/dbraw/zinc/31/63/45/840316345.db2.gz UHOLYNMXSBYMIT-UHFFFAOYSA-N 2 2 283.335 0.610 20 30 CCEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772202 840361171 /nfs/dbraw/zinc/36/11/71/840361171.db2.gz SLVKCYOHVWOAEV-QWHCGFSZSA-N 2 2 262.357 0.779 20 30 CCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001095242191 842123309 /nfs/dbraw/zinc/12/33/09/842123309.db2.gz IAPHBTVZHKZFKV-CBBWQLFWSA-N 2 2 275.396 0.825 20 30 CCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001095242191 842123315 /nfs/dbraw/zinc/12/33/15/842123315.db2.gz IAPHBTVZHKZFKV-CBBWQLFWSA-N 2 2 275.396 0.825 20 30 CCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001095242191 842123324 /nfs/dbraw/zinc/12/33/24/842123324.db2.gz IAPHBTVZHKZFKV-CBBWQLFWSA-N 2 2 275.396 0.825 20 30 CCEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176166618 842334128 /nfs/dbraw/zinc/33/41/28/842334128.db2.gz TUFQTTBPCUTHHF-CYBMUJFWSA-N 2 2 276.384 0.860 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177063688 842498725 /nfs/dbraw/zinc/49/87/25/842498725.db2.gz AXWQRQHYIGXVTH-OAHLLOKOSA-N 2 2 288.395 0.804 20 30 CCEDLP C=C(C[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001183080686 843960896 /nfs/dbraw/zinc/96/08/96/843960896.db2.gz WYQHQBVGNPOFMT-CYBMUJFWSA-N 2 2 267.373 0.085 20 30 CCEDLP C=C(C[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001183080686 843960901 /nfs/dbraw/zinc/96/09/01/843960901.db2.gz WYQHQBVGNPOFMT-CYBMUJFWSA-N 2 2 267.373 0.085 20 30 CCEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CO2 ZINC001273703907 846600615 /nfs/dbraw/zinc/60/06/15/846600615.db2.gz GKEGJIBADVBDQA-ZIAGYGMSSA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)CN1C[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273711825 846684293 /nfs/dbraw/zinc/68/42/93/846684293.db2.gz KFOHFPXRIIEBGB-INIZCTEOSA-N 2 2 295.427 0.818 20 30 CCEDLP C=C(C)CN1C[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273711825 846684301 /nfs/dbraw/zinc/68/43/01/846684301.db2.gz KFOHFPXRIIEBGB-INIZCTEOSA-N 2 2 295.427 0.818 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152617991 847343985 /nfs/dbraw/zinc/34/39/85/847343985.db2.gz HQUAVIMXISYIQZ-CQSZACIVSA-N 2 2 274.368 0.413 20 30 CCEDLP C#CCCN1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)C1=O ZINC001253213680 848161061 /nfs/dbraw/zinc/16/10/61/848161061.db2.gz NQBQPWPAVYVEGO-HUUCEWRRSA-N 2 2 295.427 0.293 20 30 CCEDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000717308377 848226367 /nfs/dbraw/zinc/22/63/67/848226367.db2.gz PCZQVAUOOFNBMP-KBPBESRZSA-N 2 2 263.341 0.104 20 30 CCEDLP C=C(C)C[NH+]1CCC(CO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001274929411 848595803 /nfs/dbraw/zinc/59/58/03/848595803.db2.gz CCKYODZASOHJER-UHFFFAOYSA-N 2 2 292.383 0.471 20 30 CCEDLP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275698016 848794564 /nfs/dbraw/zinc/79/45/64/848794564.db2.gz OKZLAZOLAACGCZ-GFCCVEGCSA-N 2 2 264.373 0.975 20 30 CCEDLP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275698016 848794570 /nfs/dbraw/zinc/79/45/70/848794570.db2.gz OKZLAZOLAACGCZ-GFCCVEGCSA-N 2 2 264.373 0.975 20 30 CCEDLP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001275707345 848797086 /nfs/dbraw/zinc/79/70/86/848797086.db2.gz TXBMJEDJXUSVBR-LLVKDONJSA-N 2 2 262.357 0.720 20 30 CCEDLP C#CCC[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001275707345 848797092 /nfs/dbraw/zinc/79/70/92/848797092.db2.gz TXBMJEDJXUSVBR-LLVKDONJSA-N 2 2 262.357 0.720 20 30 CCEDLP C#CCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001275977994 848879070 /nfs/dbraw/zinc/87/90/70/848879070.db2.gz IJRQUHXZBOZPAA-IYBDPMFKSA-N 2 2 288.395 0.682 20 30 CCEDLP C#CCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001275977994 848879074 /nfs/dbraw/zinc/87/90/74/848879074.db2.gz IJRQUHXZBOZPAA-IYBDPMFKSA-N 2 2 288.395 0.682 20 30 CCEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001095624932 849000483 /nfs/dbraw/zinc/00/04/83/849000483.db2.gz UDCBOFGOPOVZMK-QPSCCSFWSA-N 2 2 275.396 0.825 20 30 CCEDLP 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CCEDLP CC#CC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001319135138 909996876 /nfs/dbraw/zinc/99/68/76/909996876.db2.gz TZGITWTWWNBOJO-CYBMUJFWSA-N 2 2 260.341 0.487 20 30 CCEDLP CC#CC[N@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001320061672 910443738 /nfs/dbraw/zinc/44/37/38/910443738.db2.gz LESXHZBLODMVBI-UHFFFAOYSA-N 2 2 281.400 0.122 20 30 CCEDLP CC#CC[N@@H+](C)CCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001320061672 910443747 /nfs/dbraw/zinc/44/37/47/910443747.db2.gz LESXHZBLODMVBI-UHFFFAOYSA-N 2 2 281.400 0.122 20 30 CCEDLP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320471741 910690775 /nfs/dbraw/zinc/69/07/75/910690775.db2.gz YHLLUJMWQCLVIJ-UONOGXRCSA-N 2 2 288.395 0.953 20 30 CCEDLP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001329202657 915741801 /nfs/dbraw/zinc/74/18/01/915741801.db2.gz MZSNAWODEKYBQK-VXGBXAGGSA-N 2 2 250.346 0.942 20 30 CCEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332063196 917833177 /nfs/dbraw/zinc/83/31/77/917833177.db2.gz 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/nfs/dbraw/zinc/55/46/04/360554604.db2.gz SKGAFMCCCOOMAP-ZDUSSCGKSA-N 2 2 250.346 0.044 20 30 CCEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCC#N)C2 ZINC000595507973 360554608 /nfs/dbraw/zinc/55/46/08/360554608.db2.gz SKGAFMCCCOOMAP-ZDUSSCGKSA-N 2 2 250.346 0.044 20 30 CCEDLP C[C@@H](CC#N)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597991676 361300731 /nfs/dbraw/zinc/30/07/31/361300731.db2.gz GUSYVZQQNWVENL-LBPRGKRZSA-N 2 2 254.378 0.536 20 30 CCEDLP C[C@@H](CC#N)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597991676 361300732 /nfs/dbraw/zinc/30/07/32/361300732.db2.gz GUSYVZQQNWVENL-LBPRGKRZSA-N 2 2 254.378 0.536 20 30 CCEDLP N#Cc1ccccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000598681179 361480766 /nfs/dbraw/zinc/48/07/66/361480766.db2.gz FSORDUJSYAJVBF-KGLIPLIRSA-N 2 2 270.336 0.302 20 30 CCEDLP N#Cc1ccccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000598681179 361480769 /nfs/dbraw/zinc/48/07/69/361480769.db2.gz FSORDUJSYAJVBF-KGLIPLIRSA-N 2 2 270.336 0.302 20 30 CCEDLP OCC#CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720345 372166648 /nfs/dbraw/zinc/16/66/48/372166648.db2.gz IYAKXUUOJNUHQA-INIZCTEOSA-N 2 2 274.364 0.209 20 30 CCEDLP OCC#CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720345 372166657 /nfs/dbraw/zinc/16/66/57/372166657.db2.gz IYAKXUUOJNUHQA-INIZCTEOSA-N 2 2 274.364 0.209 20 30 CCEDLP CC#CC[NH2+]Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055617 376723598 /nfs/dbraw/zinc/72/35/98/376723598.db2.gz SFHZNILQPDFGBY-UHFFFAOYSA-N 2 2 258.329 0.678 20 30 CCEDLP CC#CC[NH2+]Cc1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641166479 376834097 /nfs/dbraw/zinc/83/40/97/376834097.db2.gz TVAUOVGPIIMHLQ-UHFFFAOYSA-N 2 2 256.313 0.417 20 30 CCEDLP CC#CC[NH2+]Cc1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000641169117 376836454 /nfs/dbraw/zinc/83/64/54/376836454.db2.gz UTSNQAMOCVTAGE-UHFFFAOYSA-N 2 2 271.324 0.843 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@]2(C)CCOC2)CC1 ZINC000328889616 389143057 /nfs/dbraw/zinc/14/30/57/389143057.db2.gz QTPWWFIJQBOIPE-HNNXBMFYSA-N 2 2 298.431 0.695 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329738213 389194944 /nfs/dbraw/zinc/19/49/44/389194944.db2.gz MQYDAWHEZSTBHA-NEPJUHHUSA-N 2 2 289.383 0.961 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329738213 389194946 /nfs/dbraw/zinc/19/49/46/389194946.db2.gz MQYDAWHEZSTBHA-NEPJUHHUSA-N 2 2 289.383 0.961 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329738213 389194948 /nfs/dbraw/zinc/19/49/48/389194948.db2.gz MQYDAWHEZSTBHA-NEPJUHHUSA-N 2 2 289.383 0.961 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329738213 389194950 /nfs/dbraw/zinc/19/49/50/389194950.db2.gz MQYDAWHEZSTBHA-NEPJUHHUSA-N 2 2 289.383 0.961 20 30 CCEDLP CC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000330402417 389225079 /nfs/dbraw/zinc/22/50/79/389225079.db2.gz LDYBKEUVMNJMAV-ZDUSSCGKSA-N 2 2 298.431 0.695 20 30 CCEDLP CC[NH+]1CCC(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000330462857 389232280 /nfs/dbraw/zinc/23/22/80/389232280.db2.gz TZNZSABKTQHBAZ-UHFFFAOYSA-N 2 2 284.404 0.307 20 30 CCEDLP C[C@@H](CCC#N)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000411167501 389418697 /nfs/dbraw/zinc/41/86/97/389418697.db2.gz XLJZHULXWLHEOE-LBPRGKRZSA-N 2 2 252.362 0.384 20 30 CCEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000274207773 389498426 /nfs/dbraw/zinc/49/84/26/389498426.db2.gz MXKVCSUKGRAJQD-UHFFFAOYSA-N 2 2 297.399 0.296 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428036829 389685439 /nfs/dbraw/zinc/68/54/39/389685439.db2.gz IIDBROGMBQBKSY-QJPTWQEYSA-N 2 2 280.372 0.071 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428036829 389685442 /nfs/dbraw/zinc/68/54/42/389685442.db2.gz IIDBROGMBQBKSY-QJPTWQEYSA-N 2 2 280.372 0.071 20 30 CCEDLP [NH2+]=C(NCC[N@@H+]1CCCOCC1)N1CCSCC1 ZINC000187855554 260061869 /nfs/dbraw/zinc/06/18/69/260061869.db2.gz GZSGUNZVGVMBFT-UHFFFAOYSA-N 2 2 272.418 0.072 20 30 CCEDLP [NH2+]=C(NCC[N@H+]1CCCOCC1)N1CCSCC1 ZINC000187855554 260061870 /nfs/dbraw/zinc/06/18/70/260061870.db2.gz GZSGUNZVGVMBFT-UHFFFAOYSA-N 2 2 272.418 0.072 20 30 CCEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000447528771 389956858 /nfs/dbraw/zinc/95/68/58/389956858.db2.gz IKVXJLPWXRTXNQ-MCIONIFRSA-N 2 2 278.400 0.998 20 30 CCEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000447528771 389956864 /nfs/dbraw/zinc/95/68/64/389956864.db2.gz IKVXJLPWXRTXNQ-MCIONIFRSA-N 2 2 278.400 0.998 20 30 CCEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCC#N)C[C@@H](C)O1 ZINC000563014001 390492785 /nfs/dbraw/zinc/49/27/85/390492785.db2.gz OKOBYBSZGRERLU-JHJVBQTASA-N 2 2 255.362 0.350 20 30 CCEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)CC#N)C[C@H](C)O1 ZINC000519387338 390496939 /nfs/dbraw/zinc/49/69/39/390496939.db2.gz CQMNWRXWCGEFOE-HZSPNIEDSA-N 2 2 283.416 0.986 20 30 CCEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)CC#N)C[C@H](C)O1 ZINC000519387338 390496944 /nfs/dbraw/zinc/49/69/44/390496944.db2.gz CQMNWRXWCGEFOE-HZSPNIEDSA-N 2 2 283.416 0.986 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000514856003 390470088 /nfs/dbraw/zinc/47/00/88/390470088.db2.gz LAIWLARFYMDKJS-CQSZACIVSA-N 2 2 287.367 0.630 20 30 CCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000556197748 390476238 /nfs/dbraw/zinc/47/62/38/390476238.db2.gz MGJJOKAPPNIKFK-ZDUSSCGKSA-N 2 2 270.340 0.785 20 30 CCEDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000556197748 390476240 /nfs/dbraw/zinc/47/62/40/390476240.db2.gz MGJJOKAPPNIKFK-ZDUSSCGKSA-N 2 2 270.340 0.785 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC000072725596 260278383 /nfs/dbraw/zinc/27/83/83/260278383.db2.gz RQAHLNZZBCXEBZ-NSHDSACASA-N 2 2 251.334 0.227 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CC(C)C)CC1 ZINC000490865487 261229449 /nfs/dbraw/zinc/22/94/49/261229449.db2.gz CBXNOHTXBSPQRN-UHFFFAOYSA-N 2 2 265.401 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CC(C)C)CC1 ZINC000490865487 261229450 /nfs/dbraw/zinc/22/94/50/261229450.db2.gz CBXNOHTXBSPQRN-UHFFFAOYSA-N 2 2 265.401 0.742 20 30 CCEDLP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017440727 649854236 /nfs/dbraw/zinc/85/42/36/649854236.db2.gz IVNITAGQLVFDSW-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017440727 649854237 /nfs/dbraw/zinc/85/42/37/649854237.db2.gz IVNITAGQLVFDSW-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017440727 649854239 /nfs/dbraw/zinc/85/42/39/649854239.db2.gz IVNITAGQLVFDSW-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017440727 649854240 /nfs/dbraw/zinc/85/42/40/649854240.db2.gz IVNITAGQLVFDSW-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129589933 264328128 /nfs/dbraw/zinc/32/81/28/264328128.db2.gz KGUQJTAJYLKZDA-RDBSUJKOSA-N 2 2 274.368 0.904 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129589933 264328129 /nfs/dbraw/zinc/32/81/29/264328129.db2.gz KGUQJTAJYLKZDA-RDBSUJKOSA-N 2 2 274.368 0.904 20 30 CCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC#N ZINC000356214212 266072783 /nfs/dbraw/zinc/07/27/83/266072783.db2.gz XQDFOLSNBUEVPW-UHFFFAOYSA-N 2 2 252.362 0.384 20 30 CCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC#N ZINC000356214212 266072786 /nfs/dbraw/zinc/07/27/86/266072786.db2.gz XQDFOLSNBUEVPW-UHFFFAOYSA-N 2 2 252.362 0.384 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563351998 328057160 /nfs/dbraw/zinc/05/71/60/328057160.db2.gz FGTBTBDAOQPKLH-LLVKDONJSA-N 2 2 291.355 0.221 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000563351998 328057162 /nfs/dbraw/zinc/05/71/62/328057162.db2.gz FGTBTBDAOQPKLH-LLVKDONJSA-N 2 2 291.355 0.221 20 30 CCEDLP C[C@@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000564847473 327011266 /nfs/dbraw/zinc/01/12/66/327011266.db2.gz NLCGEISQPKOKID-JKSUJKDBSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000564847473 327011268 /nfs/dbraw/zinc/01/12/68/327011268.db2.gz NLCGEISQPKOKID-JKSUJKDBSA-N 2 2 296.459 0.903 20 30 CCEDLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]CCC#N)C1=O ZINC000583140162 329320789 /nfs/dbraw/zinc/32/07/89/329320789.db2.gz QCFXETUJINWLPE-LLVKDONJSA-N 2 2 261.329 0.414 20 30 CCEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000424170930 330311064 /nfs/dbraw/zinc/31/10/64/330311064.db2.gz LKLBRUPJKJSWSO-STQMWFEESA-N 2 2 287.367 0.798 20 30 CCEDLP C=CCn1cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)nn1 ZINC000424383958 330349479 /nfs/dbraw/zinc/34/94/79/330349479.db2.gz UTSUZQCMSFAQDI-NEPJUHHUSA-N 2 2 265.361 0.321 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C[C@H]2CCCO2)CC1 ZINC000490740317 332110985 /nfs/dbraw/zinc/11/09/85/332110985.db2.gz JWOCKJWKPHMNOW-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C[C@H]2CCCO2)CC1 ZINC000490740317 332110987 /nfs/dbraw/zinc/11/09/87/332110987.db2.gz JWOCKJWKPHMNOW-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@H](CC)C2)CC1 ZINC000491632880 332254749 /nfs/dbraw/zinc/25/47/49/332254749.db2.gz RNDXYRBBSPXUCA-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@H](CC)C2)CC1 ZINC000491632880 332254751 /nfs/dbraw/zinc/25/47/51/332254751.db2.gz RNDXYRBBSPXUCA-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000081096055 334178274 /nfs/dbraw/zinc/17/82/74/334178274.db2.gz MCFJFEABGSXWAZ-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000081096055 334178276 /nfs/dbraw/zinc/17/82/76/334178276.db2.gz MCFJFEABGSXWAZ-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000081096055 334178277 /nfs/dbraw/zinc/17/82/77/334178277.db2.gz MCFJFEABGSXWAZ-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000081096055 334178278 /nfs/dbraw/zinc/17/82/78/334178278.db2.gz MCFJFEABGSXWAZ-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245427702 334192230 /nfs/dbraw/zinc/19/22/30/334192230.db2.gz MCFJFEABGSXWAZ-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245427702 334192232 /nfs/dbraw/zinc/19/22/32/334192232.db2.gz MCFJFEABGSXWAZ-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245427702 334192233 /nfs/dbraw/zinc/19/22/33/334192233.db2.gz MCFJFEABGSXWAZ-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245427702 334192234 /nfs/dbraw/zinc/19/22/34/334192234.db2.gz MCFJFEABGSXWAZ-STQMWFEESA-N 2 2 253.390 0.951 20 30 CCEDLP COCC#CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699716 545219574 /nfs/dbraw/zinc/21/95/74/545219574.db2.gz FVXOERGCJQKSSV-OAHLLOKOSA-N 2 2 266.385 0.680 20 30 CCEDLP COCC#CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699716 545219575 /nfs/dbraw/zinc/21/95/75/545219575.db2.gz FVXOERGCJQKSSV-OAHLLOKOSA-N 2 2 266.385 0.680 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccccn2)CC1 ZINC000782999948 581333234 /nfs/dbraw/zinc/33/32/34/581333234.db2.gz TWKGJASEKKLPFT-CQSZACIVSA-N 2 2 286.379 0.510 20 30 CCEDLP N#CCCNC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000761124570 581890783 /nfs/dbraw/zinc/89/07/83/581890783.db2.gz NNICSSTZTJNCBK-UHFFFAOYSA-N 2 2 287.367 0.988 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000733276810 581896468 /nfs/dbraw/zinc/89/64/68/581896468.db2.gz XKRNZVIWYXGDOV-HNNXBMFYSA-N 2 2 275.396 0.781 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000733276810 581896469 /nfs/dbraw/zinc/89/64/69/581896469.db2.gz XKRNZVIWYXGDOV-HNNXBMFYSA-N 2 2 275.396 0.781 20 30 CCEDLP Cn1cc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)nn1 ZINC000761311487 581904285 /nfs/dbraw/zinc/90/42/85/581904285.db2.gz CDPGRTCJUKOLER-UHFFFAOYSA-N 2 2 288.355 0.714 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747401358 581938886 /nfs/dbraw/zinc/93/88/86/581938886.db2.gz VUBWLLKZTDFUHL-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000747401358 581938888 /nfs/dbraw/zinc/93/88/88/581938888.db2.gz VUBWLLKZTDFUHL-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccsc2)CC1 ZINC000748809893 581988356 /nfs/dbraw/zinc/98/83/56/581988356.db2.gz MROMSQJEOCEGKX-UHFFFAOYSA-N 2 2 291.420 0.957 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccsc2)CC1 ZINC000748809893 581988359 /nfs/dbraw/zinc/98/83/59/581988359.db2.gz MROMSQJEOCEGKX-UHFFFAOYSA-N 2 2 291.420 0.957 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)CC(C)C)CC1 ZINC000749875128 582025634 /nfs/dbraw/zinc/02/56/34/582025634.db2.gz UOVXFAIGDZUQNX-UHFFFAOYSA-N 2 2 280.372 0.308 20 30 CCEDLP C#C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000775788740 582038102 /nfs/dbraw/zinc/03/81/02/582038102.db2.gz JGCFUCBMLQWVEA-MELADBBJSA-N 2 2 252.358 0.214 20 30 CCEDLP C#C[C@@H]([NH2+]CCC[NH2+][C@@H](C#C)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000775791536 582038740 /nfs/dbraw/zinc/03/87/40/582038740.db2.gz VXHXYWVDJKMOSR-YYIAUSFCSA-N 2 2 290.407 0.917 20 30 CCEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCC#N)[C@H](C)C1 ZINC000750826920 582060386 /nfs/dbraw/zinc/06/03/86/582060386.db2.gz UDEKDDKTKQBCCQ-OLZOCXBDSA-N 2 2 266.389 0.678 20 30 CCEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCC#N)[C@H](C)C1 ZINC000750826920 582060387 /nfs/dbraw/zinc/06/03/87/582060387.db2.gz UDEKDDKTKQBCCQ-OLZOCXBDSA-N 2 2 266.389 0.678 20 30 CCEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCC#N)[C@H](C)C1 ZINC000750826920 582060388 /nfs/dbraw/zinc/06/03/88/582060388.db2.gz UDEKDDKTKQBCCQ-OLZOCXBDSA-N 2 2 266.389 0.678 20 30 CCEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCC#N)[C@H](C)C1 ZINC000750826920 582060389 /nfs/dbraw/zinc/06/03/89/582060389.db2.gz UDEKDDKTKQBCCQ-OLZOCXBDSA-N 2 2 266.389 0.678 20 30 CCEDLP C#CCC[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000776594827 582083619 /nfs/dbraw/zinc/08/36/19/582083619.db2.gz XPGNQACYZAMZHP-HNNXBMFYSA-N 2 2 265.401 0.348 20 30 CCEDLP C#CCOCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000851752549 612984005 /nfs/dbraw/zinc/98/40/05/612984005.db2.gz JGMUQOFHGYRXGR-UHFFFAOYSA-N 2 2 275.352 0.862 20 30 CCEDLP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972992195 613038091 /nfs/dbraw/zinc/03/80/91/613038091.db2.gz PUCZGOOBUMHKQF-KGLIPLIRSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992195 613038095 /nfs/dbraw/zinc/03/80/95/613038095.db2.gz PUCZGOOBUMHKQF-KGLIPLIRSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992195 613038097 /nfs/dbraw/zinc/03/80/97/613038097.db2.gz PUCZGOOBUMHKQF-KGLIPLIRSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961738600 613043657 /nfs/dbraw/zinc/04/36/57/613043657.db2.gz WXYKMQUZXGJXFX-CXTNEJHOSA-N 2 2 298.390 0.899 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961738600 613043659 /nfs/dbraw/zinc/04/36/59/613043659.db2.gz WXYKMQUZXGJXFX-CXTNEJHOSA-N 2 2 298.390 0.899 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969983244 613116869 /nfs/dbraw/zinc/11/68/69/613116869.db2.gz YPAFHNVLHMKSAC-CHWSQXEVSA-N 2 2 286.379 0.515 20 30 CCEDLP C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000852098850 613164998 /nfs/dbraw/zinc/16/49/98/613164998.db2.gz XQIYZYFWCBZNAW-UKRRQHHQSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC=C)CC1 ZINC000981361380 613195253 /nfs/dbraw/zinc/19/52/53/613195253.db2.gz JBJWGOWKEBFNAP-HNNXBMFYSA-N 2 2 275.396 0.804 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC=C)CC1 ZINC000981361380 613195254 /nfs/dbraw/zinc/19/52/54/613195254.db2.gz JBJWGOWKEBFNAP-HNNXBMFYSA-N 2 2 275.396 0.804 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC=C)CC1 ZINC000981361380 613195255 /nfs/dbraw/zinc/19/52/55/613195255.db2.gz JBJWGOWKEBFNAP-HNNXBMFYSA-N 2 2 275.396 0.804 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC=C)CC1 ZINC000981361380 613195256 /nfs/dbraw/zinc/19/52/56/613195256.db2.gz JBJWGOWKEBFNAP-HNNXBMFYSA-N 2 2 275.396 0.804 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928560 613260726 /nfs/dbraw/zinc/26/07/26/613260726.db2.gz CPVYIKCEMAYQCG-OLZOCXBDSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928560 613260728 /nfs/dbraw/zinc/26/07/28/613260728.db2.gz CPVYIKCEMAYQCG-OLZOCXBDSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945641838 613261913 /nfs/dbraw/zinc/26/19/13/613261913.db2.gz RAXRUCKJBGCWFI-STQMWFEESA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945641838 613261915 /nfs/dbraw/zinc/26/19/15/613261915.db2.gz RAXRUCKJBGCWFI-STQMWFEESA-N 2 2 260.341 0.343 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000803701915 613366678 /nfs/dbraw/zinc/36/66/78/613366678.db2.gz VYDAXGULRWITKR-UHFFFAOYSA-N 2 2 262.357 0.953 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000876961745 613389935 /nfs/dbraw/zinc/38/99/35/613389935.db2.gz WNLOYYVWOHPSCQ-WOPDTQHZSA-N 2 2 289.807 0.682 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000876961745 613389936 /nfs/dbraw/zinc/38/99/36/613389936.db2.gz WNLOYYVWOHPSCQ-WOPDTQHZSA-N 2 2 289.807 0.682 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@H+]2CCOC[C@@H]2CC)CCC[NH2+]1 ZINC000877432374 613422908 /nfs/dbraw/zinc/42/29/08/613422908.db2.gz CLXYEYLNJMKALI-GOEBONIOSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)CCC[NH2+]1 ZINC000877432374 613422910 /nfs/dbraw/zinc/42/29/10/613422910.db2.gz CLXYEYLNJMKALI-GOEBONIOSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000980269970 613629144 /nfs/dbraw/zinc/62/91/44/613629144.db2.gz OECASAGQBQUSIN-LBPRGKRZSA-N 2 2 262.357 0.979 20 30 CCEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000980269970 613629146 /nfs/dbraw/zinc/62/91/46/613629146.db2.gz OECASAGQBQUSIN-LBPRGKRZSA-N 2 2 262.357 0.979 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960627865 613637477 /nfs/dbraw/zinc/63/74/77/613637477.db2.gz DOXNJDAQUXLNSU-ARLBYUKCSA-N 2 2 298.390 0.515 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960627865 613637478 /nfs/dbraw/zinc/63/74/78/613637478.db2.gz DOXNJDAQUXLNSU-ARLBYUKCSA-N 2 2 298.390 0.515 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000924984443 613675377 /nfs/dbraw/zinc/67/53/77/613675377.db2.gz VCXCWELAABHYLO-GFCCVEGCSA-N 2 2 251.374 0.751 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC000924983993 613675895 /nfs/dbraw/zinc/67/58/95/613675895.db2.gz LEFYNULKUDGGQX-CQSZACIVSA-N 2 2 293.411 0.522 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945639170 613744699 /nfs/dbraw/zinc/74/46/99/613744699.db2.gz CINSNKDIZTWHQN-QWHCGFSZSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945639170 613744700 /nfs/dbraw/zinc/74/47/00/613744700.db2.gz CINSNKDIZTWHQN-QWHCGFSZSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000884270086 613877812 /nfs/dbraw/zinc/87/78/12/613877812.db2.gz GHUYORALWZEHAR-UTUOFQBUSA-N 2 2 283.372 0.019 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](CCC)CC1 ZINC000884179804 613878163 /nfs/dbraw/zinc/87/81/63/613878163.db2.gz BCCGMZWDONDRSJ-ZDUSSCGKSA-N 2 2 297.399 0.424 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000884222393 613878811 /nfs/dbraw/zinc/87/88/11/613878811.db2.gz POKQNMAAYFAOOS-AVGNSLFASA-N 2 2 297.399 0.422 20 30 CCEDLP CC(C)O[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000835000626 614040059 /nfs/dbraw/zinc/04/00/59/614040059.db2.gz OSDZNRMTQBBBMV-UHFFFAOYSA-N 2 2 263.345 0.987 20 30 CCEDLP CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827413799 614327734 /nfs/dbraw/zinc/32/77/34/614327734.db2.gz MILXWKVVSLRLNC-CQSZACIVSA-N 2 2 277.412 0.931 20 30 CCEDLP CC(C)C#CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827413799 614327736 /nfs/dbraw/zinc/32/77/36/614327736.db2.gz MILXWKVVSLRLNC-CQSZACIVSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]12 ZINC001026281868 625387381 /nfs/dbraw/zinc/38/73/81/625387381.db2.gz JYALNJPUSQALTE-BPLDGKMQSA-N 2 2 286.379 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]12 ZINC001026281868 625387382 /nfs/dbraw/zinc/38/73/82/625387382.db2.gz JYALNJPUSQALTE-BPLDGKMQSA-N 2 2 286.379 0.802 20 30 CCEDLP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024507025 623342658 /nfs/dbraw/zinc/34/26/58/623342658.db2.gz RNVTVRAZPDADQI-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024507025 623342665 /nfs/dbraw/zinc/34/26/65/623342665.db2.gz RNVTVRAZPDADQI-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024507025 623342666 /nfs/dbraw/zinc/34/26/66/623342666.db2.gz RNVTVRAZPDADQI-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024507025 623342674 /nfs/dbraw/zinc/34/26/74/623342674.db2.gz RNVTVRAZPDADQI-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001022228418 624896233 /nfs/dbraw/zinc/89/62/33/624896233.db2.gz GSXMOWOHFNUHLA-WRWGMCAJSA-N 2 2 258.325 0.383 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001022228418 624896234 /nfs/dbraw/zinc/89/62/34/624896234.db2.gz GSXMOWOHFNUHLA-WRWGMCAJSA-N 2 2 258.325 0.383 20 30 CCEDLP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[NH2+]1 ZINC000904432485 634747321 /nfs/dbraw/zinc/74/73/21/634747321.db2.gz AMZKNIVRGCLJHU-IGQOVBAYSA-N 2 2 297.424 0.245 20 30 CCEDLP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[NH2+]1 ZINC000904432485 634747327 /nfs/dbraw/zinc/74/73/27/634747327.db2.gz AMZKNIVRGCLJHU-IGQOVBAYSA-N 2 2 297.424 0.245 20 30 CCEDLP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701750 630858755 /nfs/dbraw/zinc/85/87/55/630858755.db2.gz HZFINGZMDMWEAB-CYBMUJFWSA-N 2 2 262.357 0.992 20 30 CCEDLP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701750 630858762 /nfs/dbraw/zinc/85/87/62/630858762.db2.gz HZFINGZMDMWEAB-CYBMUJFWSA-N 2 2 262.357 0.992 20 30 CCEDLP C=CCNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000261775194 631581550 /nfs/dbraw/zinc/58/15/50/631581550.db2.gz NEZNPWNSGDBRPF-TXEJJXNPSA-N 2 2 268.405 0.965 20 30 CCEDLP C=CCNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000261775194 631581559 /nfs/dbraw/zinc/58/15/59/631581559.db2.gz NEZNPWNSGDBRPF-TXEJJXNPSA-N 2 2 268.405 0.965 20 30 CCEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261946014 631719502 /nfs/dbraw/zinc/71/95/02/631719502.db2.gz FXHOAYDOIZGSOU-OAHLLOKOSA-N 2 2 280.416 0.770 20 30 CCEDLP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001007004643 650061961 /nfs/dbraw/zinc/06/19/61/650061961.db2.gz WCQZZXBHNQESGG-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001007004643 650061963 /nfs/dbraw/zinc/06/19/63/650061963.db2.gz WCQZZXBHNQESGG-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007004643 650061965 /nfs/dbraw/zinc/06/19/65/650061965.db2.gz WCQZZXBHNQESGG-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001007004643 650061967 /nfs/dbraw/zinc/06/19/67/650061967.db2.gz WCQZZXBHNQESGG-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989586136 633332845 /nfs/dbraw/zinc/33/28/45/633332845.db2.gz IGENVLJCRPLSIL-UHFFFAOYSA-N 2 2 274.368 0.520 20 30 CCEDLP C#CC[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989586136 633332850 /nfs/dbraw/zinc/33/28/50/633332850.db2.gz IGENVLJCRPLSIL-UHFFFAOYSA-N 2 2 274.368 0.520 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999835993 639006276 /nfs/dbraw/zinc/00/62/76/639006276.db2.gz KMRVXPMBOZTXKQ-CYBMUJFWSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C)C1 ZINC001014768284 650487249 /nfs/dbraw/zinc/48/72/49/650487249.db2.gz AZQSENCAFQKQGU-KGLIPLIRSA-N 2 2 261.369 0.461 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC=C)C1 ZINC001014768284 650487250 /nfs/dbraw/zinc/48/72/50/650487250.db2.gz AZQSENCAFQKQGU-KGLIPLIRSA-N 2 2 261.369 0.461 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C)C1 ZINC001014768284 650487253 /nfs/dbraw/zinc/48/72/53/650487253.db2.gz AZQSENCAFQKQGU-KGLIPLIRSA-N 2 2 261.369 0.461 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C)C1 ZINC001014768284 650487254 /nfs/dbraw/zinc/48/72/54/650487254.db2.gz AZQSENCAFQKQGU-KGLIPLIRSA-N 2 2 261.369 0.461 20 30 CCEDLP C#CCC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006058619 640099009 /nfs/dbraw/zinc/09/90/09/640099009.db2.gz FLSPMMQFAJOMTE-UHFFFAOYSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001016929225 640221551 /nfs/dbraw/zinc/22/15/51/640221551.db2.gz CIGAMUNSVNBBDU-CQSZACIVSA-N 2 2 286.379 0.567 20 30 CCEDLP C[C@H]1C[N@@H+](C)CC1=NNCCC[NH+]1CCOCC1 ZINC000799486739 640576617 /nfs/dbraw/zinc/57/66/17/640576617.db2.gz 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Cc1c[nH+]c2cc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)ccn12 ZINC000852875917 644037338 /nfs/dbraw/zinc/03/73/38/644037338.db2.gz TUWAMFYJHYBLMU-RYUDHWBXSA-N 2 2 269.308 0.484 20 30 CCEDLP CCN(CC)C(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303784719 649824998 /nfs/dbraw/zinc/82/49/98/649824998.db2.gz PQPJUBCDILBYFB-CQSZACIVSA-N 2 2 283.464 0.915 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266598717 791003171 /nfs/dbraw/zinc/00/31/71/791003171.db2.gz YBUQKHOLIHPMSB-JOCQHMNTSA-N 2 2 260.341 0.602 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266598717 791003179 /nfs/dbraw/zinc/00/31/79/791003179.db2.gz YBUQKHOLIHPMSB-JOCQHMNTSA-N 2 2 260.341 0.602 20 30 CCEDLP C#CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001267216820 791686624 /nfs/dbraw/zinc/68/66/24/791686624.db2.gz RFBZGNXROFDROQ-ZDUSSCGKSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CCOC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246037892 807130282 /nfs/dbraw/zinc/13/02/82/807130282.db2.gz XWQCBFJQJYWYKG-KBPBESRZSA-N 2 2 252.358 0.215 20 30 CCEDLP C#CCOC[C@@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246037892 807130286 /nfs/dbraw/zinc/13/02/86/807130286.db2.gz XWQCBFJQJYWYKG-KBPBESRZSA-N 2 2 252.358 0.215 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589337 806465364 /nfs/dbraw/zinc/46/53/64/806465364.db2.gz RJVDBEFQFSLBNU-KGLIPLIRSA-N 2 2 265.401 0.739 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589337 806465368 /nfs/dbraw/zinc/46/53/68/806465368.db2.gz RJVDBEFQFSLBNU-KGLIPLIRSA-N 2 2 265.401 0.739 20 30 CCEDLP C=CCN(CC=C)CC[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC001236434952 806591412 /nfs/dbraw/zinc/59/14/12/806591412.db2.gz YXAZAFXLTDQBRG-HNNXBMFYSA-N 2 2 266.433 0.625 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC001120589818 798879041 /nfs/dbraw/zinc/87/90/41/798879041.db2.gz TXDVRDTZUCWCDF-CVEARBPZSA-N 2 2 280.412 0.586 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC001120589819 798879736 /nfs/dbraw/zinc/87/97/36/798879736.db2.gz TXDVRDTZUCWCDF-HOTGVXAUSA-N 2 2 280.412 0.586 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857206 799748242 /nfs/dbraw/zinc/74/82/42/799748242.db2.gz PKPDWXQKYUMFOE-CHWSQXEVSA-N 2 2 286.379 0.993 20 30 CCEDLP C=CCOCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203052884 799926920 /nfs/dbraw/zinc/92/69/20/799926920.db2.gz WICZJRNERNRTTE-UHFFFAOYSA-N 2 2 292.383 0.735 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158505643 801659825 /nfs/dbraw/zinc/65/98/25/801659825.db2.gz DOCDDZKQDAGHPR-CQSZACIVSA-N 2 2 289.383 0.519 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158505643 801659831 /nfs/dbraw/zinc/65/98/31/801659831.db2.gz DOCDDZKQDAGHPR-CQSZACIVSA-N 2 2 289.383 0.519 20 30 CCEDLP COc1ccnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1C#N ZINC001160512243 801956769 /nfs/dbraw/zinc/95/67/69/801956769.db2.gz VCUQINXKAFJSKG-HNNXBMFYSA-N 2 2 287.367 0.797 20 30 CCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C#N ZINC001160635399 801984768 /nfs/dbraw/zinc/98/47/68/801984768.db2.gz ACCPQFXTTCVPLH-JQWIXIFHSA-N 2 2 261.329 0.195 20 30 CCEDLP N#CCCN(CCC#N)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160750540 802014603 /nfs/dbraw/zinc/01/46/03/802014603.db2.gz KNRPBPBVOOFJOV-AWEZNQCLSA-N 2 2 285.351 0.915 20 30 CCEDLP C=CCOCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044197 802467085 /nfs/dbraw/zinc/46/70/85/802467085.db2.gz OADCUFVPYRYCHC-UHFFFAOYSA-N 2 2 294.399 0.651 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001264713398 809674809 /nfs/dbraw/zinc/67/48/09/809674809.db2.gz YHLJCQHEDWNRBS-KGLIPLIRSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001264713398 809674812 /nfs/dbraw/zinc/67/48/12/809674812.db2.gz YHLJCQHEDWNRBS-KGLIPLIRSA-N 2 2 288.395 0.955 20 30 CCEDLP N#C[C@@H]1C[NH2+]CCN1c1cccc(N2CCC([NH3+])CC2)n1 ZINC001164652164 802775636 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ZINC001276607944 803563792 /nfs/dbraw/zinc/56/37/92/803563792.db2.gz HLQCPEBOPIUOLQ-UHFFFAOYSA-N 2 2 287.411 0.576 20 30 CCEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451583 803681788 /nfs/dbraw/zinc/68/17/88/803681788.db2.gz BAHOUEAATHVUEI-ZIAGYGMSSA-N 2 2 292.383 0.522 20 30 CCEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451583 803681790 /nfs/dbraw/zinc/68/17/90/803681790.db2.gz BAHOUEAATHVUEI-ZIAGYGMSSA-N 2 2 292.383 0.522 20 30 CCEDLP C#CC[NH2+]C[C@H](NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC001276712538 803750156 /nfs/dbraw/zinc/75/01/56/803750156.db2.gz WFHDGHGPWOAJEM-AWEZNQCLSA-N 2 2 274.368 0.781 20 30 CCEDLP CCc1nc2c(c(O[C@H]3C[NH2+]C[C@H]3C#N)n1)C[NH2+]C2 ZINC001218203347 803935602 /nfs/dbraw/zinc/93/56/02/803935602.db2.gz QDXHHAUVFIJDKW-KCJUWKMLSA-N 2 2 259.313 0.133 20 30 CCEDLP CCc1nc2c(c(O[C@@H]3C[NH2+]C[C@@H]3C#N)n1)C[NH2+]C2 ZINC001218203343 803936453 /nfs/dbraw/zinc/93/64/53/803936453.db2.gz QDXHHAUVFIJDKW-GZMMTYOYSA-N 2 2 259.313 0.133 20 30 CCEDLP CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1C#N ZINC001218916043 804156574 /nfs/dbraw/zinc/15/65/74/804156574.db2.gz YFXVMPYNMISCNF-MFKMUULPSA-N 2 2 287.323 0.144 20 30 CCEDLP CNc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218980666 804173235 /nfs/dbraw/zinc/17/32/35/804173235.db2.gz HZJSBKGVIJWJDK-LBPRGKRZSA-N 2 2 298.350 0.842 20 30 CCEDLP N#Cc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(C#N)c1 ZINC001219393817 804297634 /nfs/dbraw/zinc/29/76/34/804297634.db2.gz RMSVRJOMUOSHLJ-UHFFFAOYSA-N 2 2 269.308 0.449 20 30 CCEDLP C#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001277194822 805337877 /nfs/dbraw/zinc/33/78/77/805337877.db2.gz GUJZSXAGLFOJIG-LLVKDONJSA-N 2 2 260.341 0.460 20 30 CCEDLP C#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001277194822 805337883 /nfs/dbraw/zinc/33/78/83/805337883.db2.gz GUJZSXAGLFOJIG-LLVKDONJSA-N 2 2 260.341 0.460 20 30 CCEDLP C=CC[C@@](C)([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246500464 807266116 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290.367 0.108 20 30 CCEDLP C#CC[NH2+]CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001263183605 809473421 /nfs/dbraw/zinc/47/34/21/809473421.db2.gz XNCZDJVAAFBKCG-OAHLLOKOSA-N 2 2 282.347 0.963 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001265629880 809816772 /nfs/dbraw/zinc/81/67/72/809816772.db2.gz GVBJVESYRTXOMQ-AWEZNQCLSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633523 815322701 /nfs/dbraw/zinc/32/27/01/815322701.db2.gz RVXOZVCKHNDRFO-UONOGXRCSA-N 2 2 272.352 0.439 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633523 815322707 /nfs/dbraw/zinc/32/27/07/815322707.db2.gz RVXOZVCKHNDRFO-UONOGXRCSA-N 2 2 272.352 0.439 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001266000269 809915328 /nfs/dbraw/zinc/91/53/28/809915328.db2.gz BEJNKYGGIUOCDX-ZDUSSCGKSA-N 2 2 274.368 0.424 20 30 CCEDLP C=CC[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001266182954 809957224 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C=CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001320238776 910549571 /nfs/dbraw/zinc/54/95/71/910549571.db2.gz SPUAIDHLFNYOMF-ZDUSSCGKSA-N 2 2 294.399 0.569 20 30 CCEDLP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001321251750 911193405 /nfs/dbraw/zinc/19/34/05/911193405.db2.gz LYSHJCNDRFZQAQ-QAMKJQMISA-N 2 2 286.379 0.809 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001328266416 915065124 /nfs/dbraw/zinc/06/51/24/915065124.db2.gz IULFLZGUSUIVEZ-ZIAGYGMSSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001328266416 915065143 /nfs/dbraw/zinc/06/51/43/915065143.db2.gz IULFLZGUSUIVEZ-ZIAGYGMSSA-N 2 2 274.368 0.876 20 30 CCEDLP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001329560565 916009817 /nfs/dbraw/zinc/00/98/17/916009817.db2.gz ORKXPCUWOOEYJI-LLVKDONJSA-N 2 2 250.346 0.965 20 30 CCEDLP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001329560565 916009836 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C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001335987046 920546515 /nfs/dbraw/zinc/54/65/15/920546515.db2.gz SCUQRTBAYRXPOL-CHWSQXEVSA-N 2 2 251.374 0.973 20 30 CCEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC001335987046 920546523 /nfs/dbraw/zinc/54/65/23/920546523.db2.gz SCUQRTBAYRXPOL-CHWSQXEVSA-N 2 2 251.374 0.973 20 30 CCEDLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC001336781673 921005505 /nfs/dbraw/zinc/00/55/05/921005505.db2.gz UKGFLTDSJKKPIE-HUUCEWRRSA-N 2 2 295.427 0.989 20 30 CCEDLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC001336781673 921005515 /nfs/dbraw/zinc/00/55/15/921005515.db2.gz UKGFLTDSJKKPIE-HUUCEWRRSA-N 2 2 295.427 0.989 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC001340017119 921917779 /nfs/dbraw/zinc/91/77/79/921917779.db2.gz AMPVTXMBKKLTMQ-CYBMUJFWSA-N 2 2 283.416 0.897 20 30 CCEDLP C#CC[NH2+]CC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001341530830 922537143 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C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001422391761 927260483 /nfs/dbraw/zinc/26/04/83/927260483.db2.gz MBXMAGSKTKNEEF-JTQLQIEISA-N 2 2 286.763 0.080 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000600743418 362053327 /nfs/dbraw/zinc/05/33/27/362053327.db2.gz MDUKYTWKTQPQOP-ZIAGYGMSSA-N 2 2 281.400 0.478 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000600743418 362053331 /nfs/dbraw/zinc/05/33/31/362053331.db2.gz MDUKYTWKTQPQOP-ZIAGYGMSSA-N 2 2 281.400 0.478 20 30 CCEDLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCC[C@@H]1C#N ZINC000602601028 362706504 /nfs/dbraw/zinc/70/65/04/362706504.db2.gz ILIFOOWBUKSMRH-WOPDTQHZSA-N 2 2 252.362 0.416 20 30 CCEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000602725655 362773370 /nfs/dbraw/zinc/77/33/70/362773370.db2.gz SJAQCLWJGOPBRV-UONOGXRCSA-N 2 2 281.400 0.742 20 30 CCEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000602725655 362773377 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C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266738843 352717338 /nfs/dbraw/zinc/71/73/38/352717338.db2.gz LKUFHYLYZHBPPF-LLVKDONJSA-N 2 2 260.341 0.727 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000294123123 353871220 /nfs/dbraw/zinc/87/12/20/353871220.db2.gz ZURQCPGFWOMIBZ-CQSZACIVSA-N 2 2 291.399 0.094 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000294123123 353871223 /nfs/dbraw/zinc/87/12/23/353871223.db2.gz ZURQCPGFWOMIBZ-CQSZACIVSA-N 2 2 291.399 0.094 20 30 CCEDLP Cc1cc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c(C#N)c[nH+]1 ZINC000591688983 359639754 /nfs/dbraw/zinc/63/97/54/359639754.db2.gz UFNYJBWAUZDEDD-UONOGXRCSA-N 2 2 282.351 0.926 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)CCO1 ZINC000594436672 360305941 /nfs/dbraw/zinc/30/59/41/360305941.db2.gz FGOKDMGAHWNEFI-CHWSQXEVSA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)CCO1 ZINC000594436672 360305943 /nfs/dbraw/zinc/30/59/43/360305943.db2.gz FGOKDMGAHWNEFI-CHWSQXEVSA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@H]([C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCOCC1 ZINC000594439611 360308423 /nfs/dbraw/zinc/30/84/23/360308423.db2.gz XRISRASNEYNOPO-MJBXVCDLSA-N 2 2 296.415 0.623 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)nn2)CC1 ZINC000302012720 201297249 /nfs/dbraw/zinc/29/72/49/201297249.db2.gz WXNZANNJFOXAFC-UHFFFAOYSA-N 2 2 274.372 0.786 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000623634896 367611441 /nfs/dbraw/zinc/61/14/41/367611441.db2.gz FJRVSXGEKOWICC-AWEZNQCLSA-N 2 2 296.415 0.267 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000623634896 367611443 /nfs/dbraw/zinc/61/14/43/367611443.db2.gz FJRVSXGEKOWICC-AWEZNQCLSA-N 2 2 296.415 0.267 20 30 CCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766036 375995404 /nfs/dbraw/zinc/99/54/04/375995404.db2.gz NCFZKXMOYVWWBX-INIZCTEOSA-N 2 2 297.443 0.800 20 30 CCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766036 375995411 /nfs/dbraw/zinc/99/54/11/375995411.db2.gz NCFZKXMOYVWWBX-INIZCTEOSA-N 2 2 297.443 0.800 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639762121 375988104 /nfs/dbraw/zinc/98/81/04/375988104.db2.gz GMFZUQWYPQAPNB-UKRRQHHQSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639762121 375988106 /nfs/dbraw/zinc/98/81/06/375988106.db2.gz GMFZUQWYPQAPNB-UKRRQHHQSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292062417 388945062 /nfs/dbraw/zinc/94/50/62/388945062.db2.gz CRFNYAMRSGUOOS-SWLSCSKDSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292062417 388945065 /nfs/dbraw/zinc/94/50/65/388945065.db2.gz CRFNYAMRSGUOOS-SWLSCSKDSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292062417 388945068 /nfs/dbraw/zinc/94/50/68/388945068.db2.gz CRFNYAMRSGUOOS-SWLSCSKDSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292062417 388945071 /nfs/dbraw/zinc/94/50/71/388945071.db2.gz CRFNYAMRSGUOOS-SWLSCSKDSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CCN(c3[nH+]ccn3C)CC2)C1=O ZINC000337180372 389050624 /nfs/dbraw/zinc/05/06/24/389050624.db2.gz LUESCEALELGZGG-CYBMUJFWSA-N 2 2 289.383 0.329 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000155872431 389321016 /nfs/dbraw/zinc/32/10/16/389321016.db2.gz XKRZXVAETANOKM-ZDUSSCGKSA-N 2 2 281.425 0.201 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000155872431 389321019 /nfs/dbraw/zinc/32/10/19/389321019.db2.gz XKRZXVAETANOKM-ZDUSSCGKSA-N 2 2 281.425 0.201 20 30 CCEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCOCC1)c1ccsc1 ZINC000262013816 389279857 /nfs/dbraw/zinc/27/98/57/389279857.db2.gz VFZKNJHMUOOHOA-GFCCVEGCSA-N 2 2 282.413 0.998 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365767513 389286345 /nfs/dbraw/zinc/28/63/45/389286345.db2.gz REIBPJHTWCHGNZ-TZMCWYRMSA-N 2 2 273.336 0.673 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365767513 389286348 /nfs/dbraw/zinc/28/63/48/389286348.db2.gz REIBPJHTWCHGNZ-TZMCWYRMSA-N 2 2 273.336 0.673 20 30 CCEDLP C[NH+]=C(NCc1ccoc1)NCc1c[nH+]c(N(C)C)n1C ZINC000262783379 389294933 /nfs/dbraw/zinc/29/49/33/389294933.db2.gz LVWCTSBORLLQGY-UHFFFAOYSA-N 2 2 290.371 0.944 20 30 CCEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000366554333 389304663 /nfs/dbraw/zinc/30/46/63/389304663.db2.gz BLDQIBMQNZCLSM-HZPDHXFCSA-N 2 2 290.411 0.822 20 30 CCEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000366554333 389304664 /nfs/dbraw/zinc/30/46/64/389304664.db2.gz BLDQIBMQNZCLSM-HZPDHXFCSA-N 2 2 290.411 0.822 20 30 CCEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000366554333 389304668 /nfs/dbraw/zinc/30/46/68/389304668.db2.gz BLDQIBMQNZCLSM-HZPDHXFCSA-N 2 2 290.411 0.822 20 30 CCEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000366554333 389304670 /nfs/dbraw/zinc/30/46/70/389304670.db2.gz BLDQIBMQNZCLSM-HZPDHXFCSA-N 2 2 290.411 0.822 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373108701 389464531 /nfs/dbraw/zinc/46/45/31/389464531.db2.gz DICSWGHBZALFFX-STQMWFEESA-N 2 2 274.368 0.737 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373108701 389464532 /nfs/dbraw/zinc/46/45/32/389464532.db2.gz DICSWGHBZALFFX-STQMWFEESA-N 2 2 274.368 0.737 20 30 CCEDLP C#C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373477993 389485795 /nfs/dbraw/zinc/48/57/95/389485795.db2.gz AYWMPMPGYAWMPO-CHWSQXEVSA-N 2 2 278.400 0.476 20 30 CCEDLP C#C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373477993 389485796 /nfs/dbraw/zinc/48/57/96/389485796.db2.gz AYWMPMPGYAWMPO-CHWSQXEVSA-N 2 2 278.400 0.476 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000649353880 390604043 /nfs/dbraw/zinc/60/40/43/390604043.db2.gz BLWVEXNNZONJEX-KBPBESRZSA-N 2 2 281.400 0.162 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000649353880 390604045 /nfs/dbraw/zinc/60/40/45/390604045.db2.gz BLWVEXNNZONJEX-KBPBESRZSA-N 2 2 281.400 0.162 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569716036 390716282 /nfs/dbraw/zinc/71/62/82/390716282.db2.gz ZSWYVETWPZPDPZ-QLFBSQMISA-N 2 2 280.416 0.409 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569716036 390716284 /nfs/dbraw/zinc/71/62/84/390716284.db2.gz ZSWYVETWPZPDPZ-QLFBSQMISA-N 2 2 280.416 0.409 20 30 CCEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000569716036 390716286 /nfs/dbraw/zinc/71/62/86/390716286.db2.gz ZSWYVETWPZPDPZ-QLFBSQMISA-N 2 2 280.416 0.409 20 30 CCEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000569716036 390716287 /nfs/dbraw/zinc/71/62/87/390716287.db2.gz ZSWYVETWPZPDPZ-QLFBSQMISA-N 2 2 280.416 0.409 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000569716036 390716289 /nfs/dbraw/zinc/71/62/89/390716289.db2.gz ZSWYVETWPZPDPZ-QLFBSQMISA-N 2 2 280.416 0.409 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000569716036 390716291 /nfs/dbraw/zinc/71/62/91/390716291.db2.gz ZSWYVETWPZPDPZ-QLFBSQMISA-N 2 2 280.416 0.409 20 30 CCEDLP N#Cc1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000571582611 390743520 /nfs/dbraw/zinc/74/35/20/390743520.db2.gz VNNJMEKRGSYPHN-ZIAGYGMSSA-N 2 2 270.336 0.302 20 30 CCEDLP N#Cc1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000571582611 390743523 /nfs/dbraw/zinc/74/35/23/390743523.db2.gz VNNJMEKRGSYPHN-ZIAGYGMSSA-N 2 2 270.336 0.302 20 30 CCEDLP C=CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C)COC ZINC000662853471 414844117 /nfs/dbraw/zinc/84/41/17/414844117.db2.gz GJLDIQWSGGMPAP-RYUDHWBXSA-N 2 2 257.378 0.315 20 30 CCEDLP C[C@@H](C#N)CN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340252911 263101675 /nfs/dbraw/zinc/10/16/75/263101675.db2.gz PXMPTYDAPFOCQR-ZDUSSCGKSA-N 2 2 295.431 0.813 20 30 CCEDLP Cn1cc[nH+]c1CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000330841472 264065987 /nfs/dbraw/zinc/06/59/87/264065987.db2.gz MJXKLSFZCVPBJS-LLVKDONJSA-N 2 2 281.360 0.097 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000334045398 264228065 /nfs/dbraw/zinc/22/80/65/264228065.db2.gz VMOICILZDKPCCW-STQMWFEESA-N 2 2 296.415 0.803 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000334045398 264228068 /nfs/dbraw/zinc/22/80/68/264228068.db2.gz VMOICILZDKPCCW-STQMWFEESA-N 2 2 296.415 0.803 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000334045398 264228071 /nfs/dbraw/zinc/22/80/71/264228071.db2.gz VMOICILZDKPCCW-STQMWFEESA-N 2 2 296.415 0.803 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000334045398 264228073 /nfs/dbraw/zinc/22/80/73/264228073.db2.gz VMOICILZDKPCCW-STQMWFEESA-N 2 2 296.415 0.803 20 30 CCEDLP C#CCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369774468 267265524 /nfs/dbraw/zinc/26/55/24/267265524.db2.gz JVGGNUDSHULAGT-CQSZACIVSA-N 2 2 292.427 0.868 20 30 CCEDLP C#CCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369774468 267265527 /nfs/dbraw/zinc/26/55/27/267265527.db2.gz JVGGNUDSHULAGT-CQSZACIVSA-N 2 2 292.427 0.868 20 30 CCEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000582541867 329109101 /nfs/dbraw/zinc/10/91/01/329109101.db2.gz QQDJUSHGGXQGGC-OAHLLOKOSA-N 2 2 280.416 0.433 20 30 CCEDLP CC[NH+](CC#CC[N@@H+](CC)C1COC1)C1COC1 ZINC000451291194 331023417 /nfs/dbraw/zinc/02/34/17/331023417.db2.gz ZETAXZSWWGJLHF-UHFFFAOYSA-N 2 2 252.358 0.431 20 30 CCEDLP CC[NH+](CC#CC[N@H+](CC)C1COC1)C1COC1 ZINC000451291194 331023418 /nfs/dbraw/zinc/02/34/18/331023418.db2.gz ZETAXZSWWGJLHF-UHFFFAOYSA-N 2 2 252.358 0.431 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC2(C)C)CC1 ZINC000490841423 332119602 /nfs/dbraw/zinc/11/96/02/332119602.db2.gz UPDDNVMRMVJCBO-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC2(C)C)CC1 ZINC000490841423 332119603 /nfs/dbraw/zinc/11/96/03/332119603.db2.gz UPDDNVMRMVJCBO-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccnc2)CC1 ZINC000490933626 332130384 /nfs/dbraw/zinc/13/03/84/332130384.db2.gz FJHHGYDPRHBKSV-AWEZNQCLSA-N 2 2 286.379 0.510 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)C(C)(C)C)CC1 ZINC000491013858 332138803 /nfs/dbraw/zinc/13/88/03/332138803.db2.gz LWQUNNWSFJMTDW-CQSZACIVSA-N 2 2 295.427 0.151 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSCC[C@@H]2C)CC1 ZINC000491070898 332146368 /nfs/dbraw/zinc/14/63/68/332146368.db2.gz GJZQSNKFXMXTRL-AWEZNQCLSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSCC[C@@H]2C)CC1 ZINC000491070898 332146369 /nfs/dbraw/zinc/14/63/69/332146369.db2.gz GJZQSNKFXMXTRL-AWEZNQCLSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCCOC)CC1 ZINC000491617601 332244341 /nfs/dbraw/zinc/24/43/41/332244341.db2.gz BQNTVFFSAAFUBU-UHFFFAOYSA-N 2 2 281.400 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCCOC)CC1 ZINC000491617601 332244342 /nfs/dbraw/zinc/24/43/42/332244342.db2.gz BQNTVFFSAAFUBU-UHFFFAOYSA-N 2 2 281.400 0.122 20 30 CCEDLP C#C[C@@H]1COCC[NH+]1CCCCC[N@H+]1CCOC[C@H]1C#C ZINC000491641776 332261093 /nfs/dbraw/zinc/26/10/93/332261093.db2.gz SXHAIWRBAIMAST-IAGOWNOFSA-N 2 2 290.407 0.825 20 30 CCEDLP C#C[C@@H]1COCC[NH+]1CCCCC[N@@H+]1CCOC[C@H]1C#C ZINC000491641776 332261094 /nfs/dbraw/zinc/26/10/94/332261094.db2.gz SXHAIWRBAIMAST-IAGOWNOFSA-N 2 2 290.407 0.825 20 30 CCEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CCC#N ZINC000521996634 333229489 /nfs/dbraw/zinc/22/94/89/333229489.db2.gz ZGLPJDQWIYQMSA-GFCCVEGCSA-N 2 2 252.362 0.432 20 30 CCEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CCC#N ZINC000521996634 333229490 /nfs/dbraw/zinc/22/94/90/333229490.db2.gz ZGLPJDQWIYQMSA-GFCCVEGCSA-N 2 2 252.362 0.432 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNc2cncc(C#N)n2)CC1 ZINC000576748014 335242627 /nfs/dbraw/zinc/24/26/27/335242627.db2.gz IMMBYRSLRBZEFS-UHFFFAOYSA-N 2 2 274.372 0.786 20 30 CCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000068800144 523890677 /nfs/dbraw/zinc/89/06/77/523890677.db2.gz VNDYNVUNFFLAFF-OAHLLOKOSA-N 2 2 258.369 0.894 20 30 CCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000068800144 523890679 /nfs/dbraw/zinc/89/06/79/523890679.db2.gz VNDYNVUNFFLAFF-OAHLLOKOSA-N 2 2 258.369 0.894 20 30 CCEDLP C=C[C@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000668690215 545187753 /nfs/dbraw/zinc/18/77/53/545187753.db2.gz VNCBIRIPMLYYSY-ZDUSSCGKSA-N 2 2 269.389 0.018 20 30 CCEDLP C=C[C@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000668690215 545187754 /nfs/dbraw/zinc/18/77/54/545187754.db2.gz VNCBIRIPMLYYSY-ZDUSSCGKSA-N 2 2 269.389 0.018 20 30 CCEDLP C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000677047460 545357319 /nfs/dbraw/zinc/35/73/19/545357319.db2.gz BIGRLQWHBWRRMJ-CQSZACIVSA-N 2 2 281.400 0.163 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000730095874 581645732 /nfs/dbraw/zinc/64/57/32/581645732.db2.gz QIJIEPXLTDBWJC-HNNXBMFYSA-N 2 2 298.390 0.828 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000730095874 581645734 /nfs/dbraw/zinc/64/57/34/581645734.db2.gz QIJIEPXLTDBWJC-HNNXBMFYSA-N 2 2 298.390 0.828 20 30 CCEDLP C#CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000740885084 581722566 /nfs/dbraw/zinc/72/25/66/581722566.db2.gz YNXLCVZXLCJNEK-STQMWFEESA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000740885084 581722570 /nfs/dbraw/zinc/72/25/70/581722570.db2.gz YNXLCVZXLCJNEK-STQMWFEESA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000740885084 581722572 /nfs/dbraw/zinc/72/25/72/581722572.db2.gz YNXLCVZXLCJNEK-STQMWFEESA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000740885084 581722575 /nfs/dbraw/zinc/72/25/75/581722575.db2.gz YNXLCVZXLCJNEK-STQMWFEESA-N 2 2 251.374 0.540 20 30 CCEDLP C=CCNC(=S)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732721830 581844479 /nfs/dbraw/zinc/84/44/79/581844479.db2.gz VYAYNVYZPNGBBT-GFCCVEGCSA-N 2 2 282.457 0.805 20 30 CCEDLP C=CCNC(=S)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732721830 581844482 /nfs/dbraw/zinc/84/44/82/581844482.db2.gz VYAYNVYZPNGBBT-GFCCVEGCSA-N 2 2 282.457 0.805 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000761111623 581888996 /nfs/dbraw/zinc/88/89/96/581888996.db2.gz ZDVMWBYQWWUKJR-LBPRGKRZSA-N 2 2 285.338 0.351 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000761111623 581888998 /nfs/dbraw/zinc/88/89/98/581888998.db2.gz ZDVMWBYQWWUKJR-LBPRGKRZSA-N 2 2 285.338 0.351 20 30 CCEDLP C#CCNC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747838568 581954937 /nfs/dbraw/zinc/95/49/37/581954937.db2.gz FKAUFKAMDBHWNI-UHFFFAOYSA-N 2 2 288.351 0.135 20 30 CCEDLP CN(C)c1cc[nH+]cc1C=[NH+]NCC(C)(C)S(C)(=O)=O ZINC000774480382 581975658 /nfs/dbraw/zinc/97/56/58/581975658.db2.gz BCLCIDHADPKVJS-UHFFFAOYSA-N 2 2 298.412 0.894 20 30 CCEDLP N#CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749516152 582011429 /nfs/dbraw/zinc/01/14/29/582011429.db2.gz STFWHSKNRQYLBA-UKRRQHHQSA-N 2 2 290.411 0.965 20 30 CCEDLP N#CCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749516152 582011430 /nfs/dbraw/zinc/01/14/30/582011430.db2.gz STFWHSKNRQYLBA-UKRRQHHQSA-N 2 2 290.411 0.965 20 30 CCEDLP N#CCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749516152 582011431 /nfs/dbraw/zinc/01/14/31/582011431.db2.gz STFWHSKNRQYLBA-UKRRQHHQSA-N 2 2 290.411 0.965 20 30 CCEDLP N#CCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749516152 582011433 /nfs/dbraw/zinc/01/14/33/582011433.db2.gz STFWHSKNRQYLBA-UKRRQHHQSA-N 2 2 290.411 0.965 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC000970815778 612962429 /nfs/dbraw/zinc/96/24/29/612962429.db2.gz JFKSCVKAFPPFPD-HUUCEWRRSA-N 2 2 286.379 0.508 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000969136196 612962598 /nfs/dbraw/zinc/96/25/98/612962598.db2.gz SMVRGTFHSVNWDJ-CHWSQXEVSA-N 2 2 286.379 0.647 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000969136196 612962599 /nfs/dbraw/zinc/96/25/99/612962599.db2.gz SMVRGTFHSVNWDJ-CHWSQXEVSA-N 2 2 286.379 0.647 20 30 CCEDLP C#CCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000880483560 612973526 /nfs/dbraw/zinc/97/35/26/612973526.db2.gz DTLKTKOTRXLDKX-ZDUSSCGKSA-N 2 2 254.374 0.149 20 30 CCEDLP C#CCC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000880483560 612973527 /nfs/dbraw/zinc/97/35/27/612973527.db2.gz DTLKTKOTRXLDKX-ZDUSSCGKSA-N 2 2 254.374 0.149 20 30 CCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000949796277 612990390 /nfs/dbraw/zinc/99/03/90/612990390.db2.gz GKGPAHNRKOFNRG-AWEZNQCLSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000949796277 612990392 /nfs/dbraw/zinc/99/03/92/612990392.db2.gz GKGPAHNRKOFNRG-AWEZNQCLSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809261 613018196 /nfs/dbraw/zinc/01/81/96/613018196.db2.gz SHESRZUKKGYCGA-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809261 613018198 /nfs/dbraw/zinc/01/81/98/613018198.db2.gz SHESRZUKKGYCGA-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP C#C[C@@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000812046659 613079569 /nfs/dbraw/zinc/07/95/69/613079569.db2.gz NTVGOSKMKHDESQ-KGLIPLIRSA-N 2 2 292.427 0.818 20 30 CCEDLP C#C[C@@H](C)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000812046659 613079571 /nfs/dbraw/zinc/07/95/71/613079571.db2.gz NTVGOSKMKHDESQ-KGLIPLIRSA-N 2 2 292.427 0.818 20 30 CCEDLP C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000812046660 613113710 /nfs/dbraw/zinc/11/37/10/613113710.db2.gz NTVGOSKMKHDESQ-UONOGXRCSA-N 2 2 292.427 0.818 20 30 CCEDLP C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000812046660 613113711 /nfs/dbraw/zinc/11/37/11/613113711.db2.gz NTVGOSKMKHDESQ-UONOGXRCSA-N 2 2 292.427 0.818 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970445442 613117447 /nfs/dbraw/zinc/11/74/47/613117447.db2.gz RUFPQDAXLQVLKF-MRVWCRGKSA-N 2 2 286.379 0.593 20 30 CCEDLP C#C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@@H]1CCCO1 ZINC000877413354 613150266 /nfs/dbraw/zinc/15/02/66/613150266.db2.gz LKKKVPKLFQVYNQ-GJZGRUSLSA-N 2 2 280.412 0.992 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2CC)C1 ZINC000890363407 613167815 /nfs/dbraw/zinc/16/78/15/613167815.db2.gz OCRYEGOWWOXIQE-CABCVRRESA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2CC)C1 ZINC000890363407 613167816 /nfs/dbraw/zinc/16/78/16/613167816.db2.gz OCRYEGOWWOXIQE-CABCVRRESA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2CC)C1 ZINC000890363407 613167817 /nfs/dbraw/zinc/16/78/17/613167817.db2.gz OCRYEGOWWOXIQE-CABCVRRESA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2CC)C1 ZINC000890363407 613167818 /nfs/dbraw/zinc/16/78/18/613167818.db2.gz OCRYEGOWWOXIQE-CABCVRRESA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000819718153 613195097 /nfs/dbraw/zinc/19/50/97/613195097.db2.gz RXSZNVXYAZVGFP-SOUVJXGZSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000819718153 613195100 /nfs/dbraw/zinc/19/51/00/613195100.db2.gz RXSZNVXYAZVGFP-SOUVJXGZSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000819718153 613195102 /nfs/dbraw/zinc/19/51/02/613195102.db2.gz RXSZNVXYAZVGFP-SOUVJXGZSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000819718153 613195103 /nfs/dbraw/zinc/19/51/03/613195103.db2.gz RXSZNVXYAZVGFP-SOUVJXGZSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948086048 613228209 /nfs/dbraw/zinc/22/82/09/613228209.db2.gz JHGGZUXHGKRDDT-QWHCGFSZSA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948086048 613228211 /nfs/dbraw/zinc/22/82/11/613228211.db2.gz JHGGZUXHGKRDDT-QWHCGFSZSA-N 2 2 260.341 0.485 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000912394626 613364824 /nfs/dbraw/zinc/36/48/24/613364824.db2.gz UVGKQLSQEMVAJZ-UONOGXRCSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000912394626 613364825 /nfs/dbraw/zinc/36/48/25/613364825.db2.gz UVGKQLSQEMVAJZ-UONOGXRCSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874705226 613366454 /nfs/dbraw/zinc/36/64/54/613366454.db2.gz AWHXHFJERJSZFY-ZDUSSCGKSA-N 2 2 269.389 0.331 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874705226 613366455 /nfs/dbraw/zinc/36/64/55/613366455.db2.gz AWHXHFJERJSZFY-ZDUSSCGKSA-N 2 2 269.389 0.331 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000798274199 613366510 /nfs/dbraw/zinc/36/65/10/613366510.db2.gz XESQLDNJKNNDDP-UHFFFAOYSA-N 2 2 269.389 0.331 20 30 CCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000876731014 613388230 /nfs/dbraw/zinc/38/82/30/613388230.db2.gz NYADPPNVSMQAPB-VHSXEESVSA-N 2 2 256.737 0.858 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877434796 613389943 /nfs/dbraw/zinc/38/99/43/613389943.db2.gz UVRKLKWZAWTFSJ-NEPJUHHUSA-N 2 2 289.807 0.683 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877434796 613389944 /nfs/dbraw/zinc/38/99/44/613389944.db2.gz UVRKLKWZAWTFSJ-NEPJUHHUSA-N 2 2 289.807 0.683 20 30 CCEDLP C=CCC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754769 613503118 /nfs/dbraw/zinc/50/31/18/613503118.db2.gz WIBAAPILKWMLBA-UHFFFAOYSA-N 2 2 281.400 0.429 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947863854 613580096 /nfs/dbraw/zinc/58/00/96/613580096.db2.gz YNGFAOKZEYIEEX-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947863854 613580097 /nfs/dbraw/zinc/58/00/97/613580097.db2.gz YNGFAOKZEYIEEX-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960646453 613637680 /nfs/dbraw/zinc/63/76/80/613637680.db2.gz RZNDBPRUFRNGOX-TTZDDIAXSA-N 2 2 298.390 0.515 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960646453 613637681 /nfs/dbraw/zinc/63/76/81/613637681.db2.gz RZNDBPRUFRNGOX-TTZDDIAXSA-N 2 2 298.390 0.515 20 30 CCEDLP C=CC[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C(C)C ZINC000917481394 613650389 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ZINC001163275281 802526662 /nfs/dbraw/zinc/52/66/62/802526662.db2.gz XTARODHEVCHSNU-CQSZACIVSA-N 2 2 281.400 0.216 20 30 CCEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c12 ZINC001165282664 802812172 /nfs/dbraw/zinc/81/21/72/802812172.db2.gz ADLGINIAOCMFMS-ABAIWWIYSA-N 2 2 283.335 0.453 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203532029 803032904 /nfs/dbraw/zinc/03/29/04/803032904.db2.gz YWFQUICXOIVHQI-QWHCGFSZSA-N 2 2 286.379 0.993 20 30 CCEDLP N#Cc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)ccn1 ZINC001205725697 803167879 /nfs/dbraw/zinc/16/78/79/803167879.db2.gz KGDMYWPMHKANSF-AWEZNQCLSA-N 2 2 260.341 0.629 20 30 CCEDLP N#Cc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)ccn1 ZINC001205725697 803167882 /nfs/dbraw/zinc/16/78/82/803167882.db2.gz KGDMYWPMHKANSF-AWEZNQCLSA-N 2 2 260.341 0.629 20 30 CCEDLP CC#CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206972143 803320610 /nfs/dbraw/zinc/32/06/10/803320610.db2.gz URJBAJZTSJEDHY-UHFFFAOYSA-N 2 2 274.368 0.735 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836806 803632324 /nfs/dbraw/zinc/63/23/24/803632324.db2.gz NSJKPFCZRJICPK-GFCCVEGCSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001276695144 803669430 /nfs/dbraw/zinc/66/94/30/803669430.db2.gz RQCDJSWGKPDBKC-ZDUSSCGKSA-N 2 2 260.341 0.378 20 30 CCEDLP N#Cc1c(F)ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1F ZINC001218913697 804156004 /nfs/dbraw/zinc/15/60/04/804156004.db2.gz OOTFPFFBGQHQLV-CBAPKCEASA-N 2 2 266.251 0.322 20 30 CCEDLP N=C(c1ccccc1N)N(O)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218966184 804168210 /nfs/dbraw/zinc/16/82/10/804168210.db2.gz RCDVPHUKLWVYRQ-GYSYKLTISA-N 2 2 289.339 0.034 20 30 CCEDLP COc1cccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1C#N ZINC001218978936 804172626 /nfs/dbraw/zinc/17/26/26/804172626.db2.gz UUPWJAAVUDWHAJ-KCJUWKMLSA-N 2 2 260.297 0.195 20 30 CCEDLP CNc1ccc(C#N)cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218981469 804173539 /nfs/dbraw/zinc/17/35/39/804173539.db2.gz SWPNXOQKTHXHKA-LLVKDONJSA-N 2 2 284.323 0.832 20 30 CCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001121 804180600 /nfs/dbraw/zinc/18/06/00/804180600.db2.gz OSTCUJHTUZOBIR-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001121 804180607 /nfs/dbraw/zinc/18/06/07/804180607.db2.gz OSTCUJHTUZOBIR-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP N#C[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)c1ccccc1 ZINC001219558195 804346821 /nfs/dbraw/zinc/34/68/21/804346821.db2.gz MDRULOFGRKCUJU-GFCCVEGCSA-N 2 2 258.325 0.448 20 30 CCEDLP N#C[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccccc1 ZINC001219557706 804346990 /nfs/dbraw/zinc/34/69/90/804346990.db2.gz BYVQVMQXCPZPPF-CXTNEJHOSA-N 2 2 270.336 0.589 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083456350 815014985 /nfs/dbraw/zinc/01/49/85/815014985.db2.gz QUDXZENZZFCBMK-MCIONIFRSA-N 2 2 281.400 0.207 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456350 815014998 /nfs/dbraw/zinc/01/49/98/815014998.db2.gz QUDXZENZZFCBMK-MCIONIFRSA-N 2 2 281.400 0.207 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083456350 815015003 /nfs/dbraw/zinc/01/50/03/815015003.db2.gz QUDXZENZZFCBMK-MCIONIFRSA-N 2 2 281.400 0.207 20 30 CCEDLP C#Cc1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001220382429 804589824 /nfs/dbraw/zinc/58/98/24/804589824.db2.gz XACIVABCLUTODQ-UHFFFAOYSA-N 2 2 257.337 0.365 20 30 CCEDLP N#Cc1ccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)cc1F ZINC001220449558 804607365 /nfs/dbraw/zinc/60/73/65/804607365.db2.gz YZVMGGZADJTDLX-FPMFFAJLSA-N 2 2 288.326 0.263 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220573045 804627635 /nfs/dbraw/zinc/62/76/35/804627635.db2.gz OTJIIIIBEMZGBJ-QLFBSQMISA-N 2 2 295.427 0.147 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220573045 804627638 /nfs/dbraw/zinc/62/76/38/804627638.db2.gz OTJIIIIBEMZGBJ-QLFBSQMISA-N 2 2 295.427 0.147 20 30 CCEDLP N#Cc1ccc(CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cn1 ZINC001221089571 804728566 /nfs/dbraw/zinc/72/85/66/804728566.db2.gz RSUGOHCILBDSJT-OAHLLOKOSA-N 2 2 295.346 0.842 20 30 CCEDLP CC(C)C[C@](C)(C#N)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221292173 804768658 /nfs/dbraw/zinc/76/86/58/804768658.db2.gz HEQPESBEXLIVIS-MRVWCRGKSA-N 2 2 264.373 0.382 20 30 CCEDLP N#CC1(NC(=O)C2([NH3+])CC[NH2+]CC2)Cc2ccccc2C1 ZINC001221366958 804788747 /nfs/dbraw/zinc/78/87/47/804788747.db2.gz LSJXFOJHANHWAW-UHFFFAOYSA-N 2 2 284.363 0.245 20 30 CCEDLP C#CCCC1(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)N=N1 ZINC001221408199 804809486 /nfs/dbraw/zinc/80/94/86/804809486.db2.gz HWUBOIVUJTYLLE-FZMZJTMJSA-N 2 2 275.356 0.020 20 30 CCEDLP N#Cc1ccc(O)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222100206 804870420 /nfs/dbraw/zinc/87/04/20/804870420.db2.gz YRWUVAGIHUCYQY-UHFFFAOYSA-N 2 2 286.379 0.791 20 30 CCEDLP N#Cc1ccc(O)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222100206 804870425 /nfs/dbraw/zinc/87/04/25/804870425.db2.gz YRWUVAGIHUCYQY-UHFFFAOYSA-N 2 2 286.379 0.791 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926680 815043978 /nfs/dbraw/zinc/04/39/78/815043978.db2.gz KUBCWJXZPNBRCX-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926680 815043986 /nfs/dbraw/zinc/04/39/86/815043986.db2.gz KUBCWJXZPNBRCX-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001276916160 804988131 /nfs/dbraw/zinc/98/81/31/804988131.db2.gz JTFPRTDQQJLAMD-HNNXBMFYSA-N 2 2 293.411 0.169 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001276916160 804988134 /nfs/dbraw/zinc/98/81/34/804988134.db2.gz JTFPRTDQQJLAMD-HNNXBMFYSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278377030 807051678 /nfs/dbraw/zinc/05/16/78/807051678.db2.gz CEQCMUMLHTVNDT-JSGCOSHPSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278377030 807051686 /nfs/dbraw/zinc/05/16/86/807051686.db2.gz CEQCMUMLHTVNDT-JSGCOSHPSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCOC[C@@H](O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001251848120 807717877 /nfs/dbraw/zinc/71/78/77/807717877.db2.gz UGGYUTLXENIPPY-AWEZNQCLSA-N 2 2 254.374 0.413 20 30 CCEDLP C#CCOC[C@@H](O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001251848120 807717883 /nfs/dbraw/zinc/71/78/83/807717883.db2.gz UGGYUTLXENIPPY-AWEZNQCLSA-N 2 2 254.374 0.413 20 30 CCEDLP C=CCOC[C@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001252498146 807896048 /nfs/dbraw/zinc/89/60/48/807896048.db2.gz GRQDDQVDYHQTGC-GFCCVEGCSA-N 2 2 252.314 0.614 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088814668 815193693 /nfs/dbraw/zinc/19/36/93/815193693.db2.gz CZLAQMYZMAKNDS-QLFBSQMISA-N 2 2 293.411 0.308 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088814668 815193697 /nfs/dbraw/zinc/19/36/97/815193697.db2.gz CZLAQMYZMAKNDS-QLFBSQMISA-N 2 2 293.411 0.308 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088814668 815193700 /nfs/dbraw/zinc/19/37/00/815193700.db2.gz CZLAQMYZMAKNDS-QLFBSQMISA-N 2 2 293.411 0.308 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088814668 815193703 /nfs/dbraw/zinc/19/37/03/815193703.db2.gz CZLAQMYZMAKNDS-QLFBSQMISA-N 2 2 293.411 0.308 20 30 CCEDLP N#C[C@H]1C[NH2+]CCN1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856583 808565302 /nfs/dbraw/zinc/56/53/02/808565302.db2.gz LCODUQCRQHRPAB-HNNXBMFYSA-N 2 2 271.368 0.848 20 30 CCEDLP C#CC[NH2+][C@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001265378700 809769351 /nfs/dbraw/zinc/76/93/51/809769351.db2.gz QMOZELGQNNBODY-CQSZACIVSA-N 2 2 274.368 0.470 20 30 CCEDLP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265791846 809854581 /nfs/dbraw/zinc/85/45/81/809854581.db2.gz BUDVFPFWDTYFJP-OLZOCXBDSA-N 2 2 274.368 0.563 20 30 CCEDLP C#CCC[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001265953769 809904030 /nfs/dbraw/zinc/90/40/30/809904030.db2.gz FHIKHALFCDSDRQ-UHFFFAOYSA-N 2 2 262.357 0.424 20 30 CCEDLP C#CCC[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001265953769 809904033 /nfs/dbraw/zinc/90/40/33/809904033.db2.gz FHIKHALFCDSDRQ-UHFFFAOYSA-N 2 2 262.357 0.424 20 30 CCEDLP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001266006828 809916044 /nfs/dbraw/zinc/91/60/44/809916044.db2.gz PXOMYDJJTMMFDZ-OCCSQVGLSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038355843 811702870 /nfs/dbraw/zinc/70/28/70/811702870.db2.gz FBYLTWRIKGRUEL-KGLIPLIRSA-N 2 2 286.379 0.974 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038355843 811702878 /nfs/dbraw/zinc/70/28/78/811702878.db2.gz FBYLTWRIKGRUEL-KGLIPLIRSA-N 2 2 286.379 0.974 20 30 CCEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001104908599 811767666 /nfs/dbraw/zinc/76/76/66/811767666.db2.gz CXWRSKOMOSYQPG-ZIAGYGMSSA-N 2 2 288.395 0.670 20 30 CCEDLP C=C(Cl)C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001268633239 812957494 /nfs/dbraw/zinc/95/74/94/812957494.db2.gz KWACMPSFZSKNFX-NSCUHMNNSA-N 2 2 268.748 0.898 20 30 CCEDLP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268735802 813055398 /nfs/dbraw/zinc/05/53/98/813055398.db2.gz NLCSWZSFUICYSN-KGLIPLIRSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268735802 813055399 /nfs/dbraw/zinc/05/53/99/813055399.db2.gz NLCSWZSFUICYSN-KGLIPLIRSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001268887797 813132303 /nfs/dbraw/zinc/13/23/03/813132303.db2.gz IAAXJTGHZGIRHR-GFCCVEGCSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001270228408 813687885 /nfs/dbraw/zinc/68/78/85/813687885.db2.gz KFLVVIQSQOMUCQ-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001270275664 813706846 /nfs/dbraw/zinc/70/68/46/813706846.db2.gz KKULMVBVOZZPKS-TZMCWYRMSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001270275664 813706849 /nfs/dbraw/zinc/70/68/49/813706849.db2.gz KKULMVBVOZZPKS-TZMCWYRMSA-N 2 2 274.368 0.802 20 30 CCEDLP C=CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001271189545 814328050 /nfs/dbraw/zinc/32/80/50/814328050.db2.gz OSPKTHYFPDUAFX-SNVBAGLBSA-N 2 2 250.346 0.883 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001030306299 815968108 /nfs/dbraw/zinc/96/81/08/815968108.db2.gz OKQXLRAKTKWKHX-ZFWWWQNUSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001030306299 815968114 /nfs/dbraw/zinc/96/81/14/815968114.db2.gz OKQXLRAKTKWKHX-ZFWWWQNUSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089006048 816210082 /nfs/dbraw/zinc/21/00/82/816210082.db2.gz LQGSOPKTXYUUBT-OLZOCXBDSA-N 2 2 274.368 0.863 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089006048 816210085 /nfs/dbraw/zinc/21/00/85/816210085.db2.gz LQGSOPKTXYUUBT-OLZOCXBDSA-N 2 2 274.368 0.863 20 30 CCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089050207 816225980 /nfs/dbraw/zinc/22/59/80/816225980.db2.gz WWAWNEFVUKOADD-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089050207 816225984 /nfs/dbraw/zinc/22/59/84/816225984.db2.gz WWAWNEFVUKOADD-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089050207 816225986 /nfs/dbraw/zinc/22/59/86/816225986.db2.gz WWAWNEFVUKOADD-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089050207 816225988 /nfs/dbraw/zinc/22/59/88/816225988.db2.gz WWAWNEFVUKOADD-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030959884 816503885 /nfs/dbraw/zinc/50/38/85/816503885.db2.gz FSSQRIAIBLFMHY-DGCLKSJQSA-N 2 2 251.374 0.561 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030959884 816503894 /nfs/dbraw/zinc/50/38/94/816503894.db2.gz FSSQRIAIBLFMHY-DGCLKSJQSA-N 2 2 251.374 0.561 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704790 816858872 /nfs/dbraw/zinc/85/88/72/816858872.db2.gz CSVSOEZJZASHNF-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CCC[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001272664719 817025005 /nfs/dbraw/zinc/02/50/05/817025005.db2.gz ZYBOEGNSYYRPCC-AWEZNQCLSA-N 2 2 274.368 0.735 20 30 CCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031978121 817514493 /nfs/dbraw/zinc/51/44/93/817514493.db2.gz OVVHQQPLEPSIRB-ZWNOBZJWSA-N 2 2 285.819 0.985 20 30 CCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031978121 817514498 /nfs/dbraw/zinc/51/44/98/817514498.db2.gz OVVHQQPLEPSIRB-ZWNOBZJWSA-N 2 2 285.819 0.985 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078733579 818037376 /nfs/dbraw/zinc/03/73/76/818037376.db2.gz IVGCEFSRZYWKET-QWHCGFSZSA-N 2 2 272.352 0.602 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083832810 818529721 /nfs/dbraw/zinc/52/97/21/818529721.db2.gz WBOMLAYDNLNMLV-KFWWJZLASA-N 2 2 293.411 0.044 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832810 818529728 /nfs/dbraw/zinc/52/97/28/818529728.db2.gz WBOMLAYDNLNMLV-KFWWJZLASA-N 2 2 293.411 0.044 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832810 818529737 /nfs/dbraw/zinc/52/97/37/818529737.db2.gz WBOMLAYDNLNMLV-KFWWJZLASA-N 2 2 293.411 0.044 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832810 818529745 /nfs/dbraw/zinc/52/97/45/818529745.db2.gz WBOMLAYDNLNMLV-KFWWJZLASA-N 2 2 293.411 0.044 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033267797 818684241 /nfs/dbraw/zinc/68/42/41/818684241.db2.gz WJQDMVIWAFXCJG-CQSZACIVSA-N 2 2 274.368 0.748 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033267797 818684244 /nfs/dbraw/zinc/68/42/44/818684244.db2.gz WJQDMVIWAFXCJG-CQSZACIVSA-N 2 2 274.368 0.748 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033589813 818840984 /nfs/dbraw/zinc/84/09/84/818840984.db2.gz NPCUXBUFRCFFFL-ZDUSSCGKSA-N 2 2 274.368 0.519 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033589813 818840993 /nfs/dbraw/zinc/84/09/93/818840993.db2.gz NPCUXBUFRCFFFL-ZDUSSCGKSA-N 2 2 274.368 0.519 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033596189 818842648 /nfs/dbraw/zinc/84/26/48/818842648.db2.gz WQVWFBFYNVDFHV-GFCCVEGCSA-N 2 2 262.357 0.681 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033596189 818842651 /nfs/dbraw/zinc/84/26/51/818842651.db2.gz WQVWFBFYNVDFHV-GFCCVEGCSA-N 2 2 262.357 0.681 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034543364 819239484 /nfs/dbraw/zinc/23/94/84/819239484.db2.gz WYIXHHQDILEQJI-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034543364 819239491 /nfs/dbraw/zinc/23/94/91/819239491.db2.gz WYIXHHQDILEQJI-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034543364 819239494 /nfs/dbraw/zinc/23/94/94/819239494.db2.gz WYIXHHQDILEQJI-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034543364 819239501 /nfs/dbraw/zinc/23/95/01/819239501.db2.gz WYIXHHQDILEQJI-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001035373926 819493508 /nfs/dbraw/zinc/49/35/08/819493508.db2.gz ZIPZUPSXSJZPFC-RBSFLKMASA-N 2 2 295.427 0.720 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035373926 819493512 /nfs/dbraw/zinc/49/35/12/819493512.db2.gz ZIPZUPSXSJZPFC-RBSFLKMASA-N 2 2 295.427 0.720 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035373926 819493515 /nfs/dbraw/zinc/49/35/15/819493515.db2.gz ZIPZUPSXSJZPFC-RBSFLKMASA-N 2 2 295.427 0.720 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035373926 819493518 /nfs/dbraw/zinc/49/35/18/819493518.db2.gz ZIPZUPSXSJZPFC-RBSFLKMASA-N 2 2 295.427 0.720 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080852559 820645694 /nfs/dbraw/zinc/64/56/94/820645694.db2.gz JULXQFKYRYPWIC-BXUZGUMPSA-N 2 2 274.368 0.720 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080852559 820645700 /nfs/dbraw/zinc/64/57/00/820645700.db2.gz JULXQFKYRYPWIC-BXUZGUMPSA-N 2 2 274.368 0.720 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082134075 820906604 /nfs/dbraw/zinc/90/66/04/820906604.db2.gz ZILGMJKPGOQNKE-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082134075 820906607 /nfs/dbraw/zinc/90/66/07/820906607.db2.gz ZILGMJKPGOQNKE-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082134075 820906610 /nfs/dbraw/zinc/90/66/10/820906610.db2.gz ZILGMJKPGOQNKE-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082134075 820906613 /nfs/dbraw/zinc/90/66/13/820906613.db2.gz ZILGMJKPGOQNKE-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084230945 821247514 /nfs/dbraw/zinc/24/75/14/821247514.db2.gz MNPFKJXXJAYDQM-MGPQQGTHSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084230945 821247522 /nfs/dbraw/zinc/24/75/22/821247522.db2.gz MNPFKJXXJAYDQM-MGPQQGTHSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230945 821247530 /nfs/dbraw/zinc/24/75/30/821247530.db2.gz MNPFKJXXJAYDQM-MGPQQGTHSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230945 821247538 /nfs/dbraw/zinc/24/75/38/821247538.db2.gz MNPFKJXXJAYDQM-MGPQQGTHSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090400687 821516024 /nfs/dbraw/zinc/51/60/24/821516024.db2.gz XEKYYRZIMBJNSF-LSDHHAIUSA-N 2 2 298.346 0.133 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090400687 821516028 /nfs/dbraw/zinc/51/60/28/821516028.db2.gz XEKYYRZIMBJNSF-LSDHHAIUSA-N 2 2 298.346 0.133 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671091 821890541 /nfs/dbraw/zinc/89/05/41/821890541.db2.gz NJXHVOFZCOQFAB-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671091 821890552 /nfs/dbraw/zinc/89/05/52/821890552.db2.gz NJXHVOFZCOQFAB-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085671091 821890562 /nfs/dbraw/zinc/89/05/62/821890562.db2.gz NJXHVOFZCOQFAB-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085671091 821890575 /nfs/dbraw/zinc/89/05/75/821890575.db2.gz NJXHVOFZCOQFAB-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085982593 822055481 /nfs/dbraw/zinc/05/54/81/822055481.db2.gz ODFAOZUSJPCUQV-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085982593 822055492 /nfs/dbraw/zinc/05/54/92/822055492.db2.gz ODFAOZUSJPCUQV-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982593 822055497 /nfs/dbraw/zinc/05/54/97/822055497.db2.gz ODFAOZUSJPCUQV-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982593 822055504 /nfs/dbraw/zinc/05/55/04/822055504.db2.gz ODFAOZUSJPCUQV-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490953 837811443 /nfs/dbraw/zinc/81/14/43/837811443.db2.gz JXDRPAWXJYEKGC-GFCCVEGCSA-N 2 2 274.368 0.552 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490953 837811456 /nfs/dbraw/zinc/81/14/56/837811456.db2.gz JXDRPAWXJYEKGC-GFCCVEGCSA-N 2 2 274.368 0.552 20 30 CCEDLP N#Cc1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067391 836123743 /nfs/dbraw/zinc/12/37/43/836123743.db2.gz RUCCVCHLCORMJC-SSDOTTSWSA-N 2 2 278.703 0.049 20 30 CCEDLP C=CCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113726141 837207557 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C=CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042570325 850699826 /nfs/dbraw/zinc/69/98/26/850699826.db2.gz OXZKEPBONRUBMV-CYBMUJFWSA-N 2 2 267.373 0.036 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001044194834 851040179 /nfs/dbraw/zinc/04/01/79/851040179.db2.gz NINABEKNEZGJKM-UHFFFAOYSA-N 2 2 286.379 0.927 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049173640 852185679 /nfs/dbraw/zinc/18/56/79/852185679.db2.gz FCPGDTJVCKZDIS-OKILXGFUSA-N 2 2 288.395 0.929 20 30 CCEDLP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049173640 852185685 /nfs/dbraw/zinc/18/56/85/852185685.db2.gz FCPGDTJVCKZDIS-OKILXGFUSA-N 2 2 288.395 0.929 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926786 852397911 /nfs/dbraw/zinc/39/79/11/852397911.db2.gz DSVOIUMYUASMRK-GJZGRUSLSA-N 2 2 286.379 0.972 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926786 852397920 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C#CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001484976007 896691613 /nfs/dbraw/zinc/69/16/13/896691613.db2.gz AZAXHTDMGYHNHC-STQMWFEESA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001484976007 896691617 /nfs/dbraw/zinc/69/16/17/896691617.db2.gz AZAXHTDMGYHNHC-STQMWFEESA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC ZINC001032453428 897588672 /nfs/dbraw/zinc/58/86/72/897588672.db2.gz ABSCYSHOMXZHLD-KKUMJFAQSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC ZINC001032453428 897588678 /nfs/dbraw/zinc/58/86/78/897588678.db2.gz ABSCYSHOMXZHLD-KKUMJFAQSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC ZINC001032453428 897588685 /nfs/dbraw/zinc/58/86/85/897588685.db2.gz ABSCYSHOMXZHLD-KKUMJFAQSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC ZINC001032453428 897588688 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0.247 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001485887032 898487666 /nfs/dbraw/zinc/48/76/66/898487666.db2.gz ZNOBZFZNYGZABC-LBPRGKRZSA-N 2 2 262.357 0.802 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001485887032 898487672 /nfs/dbraw/zinc/48/76/72/898487672.db2.gz ZNOBZFZNYGZABC-LBPRGKRZSA-N 2 2 262.357 0.802 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001485945934 898528757 /nfs/dbraw/zinc/52/87/57/898528757.db2.gz UPIPMOIWTMVYHI-LBPRGKRZSA-N 2 2 262.357 0.422 20 30 CCEDLP C#CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001486244257 898722794 /nfs/dbraw/zinc/72/27/94/898722794.db2.gz NIADGWPJVNTQEK-LBPRGKRZSA-N 2 2 274.368 0.802 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001488692442 900345398 /nfs/dbraw/zinc/34/53/98/900345398.db2.gz MISFQZOOJWXBMD-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001488692442 900345406 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C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001316802890 908776987 /nfs/dbraw/zinc/77/69/87/908776987.db2.gz HAPFKNHJXJCKMO-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001316802890 908776992 /nfs/dbraw/zinc/77/69/92/908776992.db2.gz HAPFKNHJXJCKMO-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001316802890 908777002 /nfs/dbraw/zinc/77/70/02/908777002.db2.gz HAPFKNHJXJCKMO-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317526262 909291877 /nfs/dbraw/zinc/29/18/77/909291877.db2.gz FHHWNBJZFSIOJP-AWEZNQCLSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317526262 909291887 /nfs/dbraw/zinc/29/18/87/909291887.db2.gz FHHWNBJZFSIOJP-AWEZNQCLSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319209714 910041973 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C=CCO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001329945389 916302223 /nfs/dbraw/zinc/30/22/23/916302223.db2.gz NCBUAKUUKKDNCL-UONOGXRCSA-N 2 2 254.374 0.718 20 30 CCEDLP C=CCO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC001329945389 916302244 /nfs/dbraw/zinc/30/22/44/916302244.db2.gz NCBUAKUUKKDNCL-UONOGXRCSA-N 2 2 254.374 0.718 20 30 CCEDLP C#CCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336879335 921078830 /nfs/dbraw/zinc/07/88/30/921078830.db2.gz LAYRLXLYVDAZPC-UHFFFAOYSA-N 2 2 252.362 0.122 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC[NH2+]1 ZINC001342462071 922972424 /nfs/dbraw/zinc/97/24/24/922972424.db2.gz NIASQWMNUXFMLB-OAHLLOKOSA-N 3 2 280.416 0.224 20 30 CCEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600721410 362046038 /nfs/dbraw/zinc/04/60/38/362046038.db2.gz LVFXPORGICPVSC-ZIAGYGMSSA-N 2 2 281.400 0.742 20 30 CCEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600721410 362046042 /nfs/dbraw/zinc/04/60/42/362046042.db2.gz LVFXPORGICPVSC-ZIAGYGMSSA-N 2 2 281.400 0.742 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCn1cc(CCC#N)nn1 ZINC000600975735 362111453 /nfs/dbraw/zinc/11/14/53/362111453.db2.gz CMHVPJDCBMIRLQ-UHFFFAOYSA-N 2 2 264.377 0.618 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCn1cc(CCC#N)nn1 ZINC000600975735 362111459 /nfs/dbraw/zinc/11/14/59/362111459.db2.gz CMHVPJDCBMIRLQ-UHFFFAOYSA-N 2 2 264.377 0.618 20 30 CCEDLP C=CCNC(=O)CN1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000077121598 349099420 /nfs/dbraw/zinc/09/94/20/349099420.db2.gz NUGMYIZBJJVSLU-UHFFFAOYSA-N 2 2 291.399 0.111 20 30 CCEDLP CC(C)[NH2+]C1(CO)CC[NH+](CCOCCC#N)CC1 ZINC000573859759 334972273 /nfs/dbraw/zinc/97/22/73/334972273.db2.gz BAFSYHVFRCVGSD-UHFFFAOYSA-N 2 2 269.389 0.742 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152349417 188012056 /nfs/dbraw/zinc/01/20/56/188012056.db2.gz OJUVVPLZSHGLCV-CHWSQXEVSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152349417 188012057 /nfs/dbraw/zinc/01/20/57/188012057.db2.gz OJUVVPLZSHGLCV-CHWSQXEVSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152349417 188012059 /nfs/dbraw/zinc/01/20/59/188012059.db2.gz OJUVVPLZSHGLCV-CHWSQXEVSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152349417 188012060 /nfs/dbraw/zinc/01/20/60/188012060.db2.gz OJUVVPLZSHGLCV-CHWSQXEVSA-N 2 2 296.415 0.660 20 30 CCEDLP Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C#N)c[nH+]1 ZINC000425229903 235275353 /nfs/dbraw/zinc/27/53/53/235275353.db2.gz QWOKBAMTNWCKRT-AWEZNQCLSA-N 2 2 287.367 0.435 20 30 CCEDLP Cc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c(C#N)c[nH+]1 ZINC000425229903 235275355 /nfs/dbraw/zinc/27/53/55/235275355.db2.gz QWOKBAMTNWCKRT-AWEZNQCLSA-N 2 2 287.367 0.435 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)OCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000491147559 358291672 /nfs/dbraw/zinc/29/16/72/358291672.db2.gz SAERPIQVOVXRRL-AWEZNQCLSA-N 2 2 294.395 0.596 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)OCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000491147559 358291678 /nfs/dbraw/zinc/29/16/78/358291678.db2.gz SAERPIQVOVXRRL-AWEZNQCLSA-N 2 2 294.395 0.596 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565657867 358565517 /nfs/dbraw/zinc/56/55/17/358565517.db2.gz DLBILPMJOSLBSL-WFASDCNBSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565657867 358565520 /nfs/dbraw/zinc/56/55/20/358565520.db2.gz DLBILPMJOSLBSL-WFASDCNBSA-N 2 2 294.399 0.462 20 30 CCEDLP C[NH+]1CCN(c2cc(C[NH2+]CCC#N)ccn2)CC1 ZINC000572713836 358929647 /nfs/dbraw/zinc/92/96/47/358929647.db2.gz HOYJCHSXRSKGQI-UHFFFAOYSA-N 2 2 259.357 0.837 20 30 CCEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC#CCOC)C2)CC1 ZINC000611194842 363679217 /nfs/dbraw/zinc/67/92/17/363679217.db2.gz VXMXCGNBGYZYAU-OAHLLOKOSA-N 2 2 265.401 0.348 20 30 CCEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC#CCOC)C2)CC1 ZINC000611194842 363679224 /nfs/dbraw/zinc/67/92/24/363679224.db2.gz VXMXCGNBGYZYAU-OAHLLOKOSA-N 2 2 265.401 0.348 20 30 CCEDLP C[C@H]([C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCOCC1 ZINC000594439604 360308752 /nfs/dbraw/zinc/30/87/52/360308752.db2.gz XRISRASNEYNOPO-BFHYXJOUSA-N 2 2 296.415 0.623 20 30 CCEDLP C[N@H+](CCCCC#N)CC(=O)N1CC[NH+](C)CC1 ZINC000611522635 363732132 /nfs/dbraw/zinc/73/21/32/363732132.db2.gz NTWJKTZRRGVWTR-UHFFFAOYSA-N 2 2 252.362 0.386 20 30 CCEDLP C[N@@H+](CCCCC#N)CC(=O)N1CC[NH+](C)CC1 ZINC000611522635 363732135 /nfs/dbraw/zinc/73/21/35/363732135.db2.gz NTWJKTZRRGVWTR-UHFFFAOYSA-N 2 2 252.362 0.386 20 30 CCEDLP Cn1ncc(C#N)c1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000596149917 360812382 /nfs/dbraw/zinc/81/23/82/360812382.db2.gz CMYUGOKZXJQCAS-UHFFFAOYSA-N 2 2 276.388 0.730 20 30 CCEDLP CC1CC(C#N)(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000597990407 361299576 /nfs/dbraw/zinc/29/95/76/361299576.db2.gz VASLSKAJENKTQH-UHFFFAOYSA-N 2 2 280.416 0.926 20 30 CCEDLP CC1CC(C#N)(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000597990407 361299580 /nfs/dbraw/zinc/29/95/80/361299580.db2.gz VASLSKAJENKTQH-UHFFFAOYSA-N 2 2 280.416 0.926 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC(C)(C)C#N ZINC000597990414 361299895 /nfs/dbraw/zinc/29/98/95/361299895.db2.gz VGENCGXIKWWPBW-UHFFFAOYSA-N 2 2 268.405 0.926 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC(C)(C)C#N ZINC000597990414 361299901 /nfs/dbraw/zinc/29/99/01/361299901.db2.gz VGENCGXIKWWPBW-UHFFFAOYSA-N 2 2 268.405 0.926 20 30 CCEDLP Cc1[nH]c(C#N)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597994424 361303937 /nfs/dbraw/zinc/30/39/37/361303937.db2.gz YIINKMZHFNVXER-UHFFFAOYSA-N 2 2 291.399 0.808 20 30 CCEDLP Cc1[nH]c(C#N)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597994424 361303943 /nfs/dbraw/zinc/30/39/43/361303943.db2.gz YIINKMZHFNVXER-UHFFFAOYSA-N 2 2 291.399 0.808 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000598729189 361498909 /nfs/dbraw/zinc/49/89/09/361498909.db2.gz HIELQUSEMIPHLV-ZIAGYGMSSA-N 2 2 283.416 0.724 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000598729189 361498912 /nfs/dbraw/zinc/49/89/12/361498912.db2.gz HIELQUSEMIPHLV-ZIAGYGMSSA-N 2 2 283.416 0.724 20 30 CCEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000639531964 375825092 /nfs/dbraw/zinc/82/50/92/375825092.db2.gz QLOBWGGVCYYJHE-ZDUSSCGKSA-N 2 2 283.397 0.638 20 30 CCEDLP C=CC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000639531964 375825096 /nfs/dbraw/zinc/82/50/96/375825096.db2.gz QLOBWGGVCYYJHE-ZDUSSCGKSA-N 2 2 283.397 0.638 20 30 CCEDLP CCC#C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051675 376218929 /nfs/dbraw/zinc/21/89/29/376218929.db2.gz VOEHWZIJVXDIFS-CYBMUJFWSA-N 2 2 251.374 0.494 20 30 CCEDLP CCC#C[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051675 376218934 /nfs/dbraw/zinc/21/89/34/376218934.db2.gz VOEHWZIJVXDIFS-CYBMUJFWSA-N 2 2 251.374 0.494 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000293679890 388986483 /nfs/dbraw/zinc/98/64/83/388986483.db2.gz AVOVQYLXDQBGIC-ZIAGYGMSSA-N 2 2 274.368 0.906 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000293679890 388986486 /nfs/dbraw/zinc/98/64/86/388986486.db2.gz AVOVQYLXDQBGIC-ZIAGYGMSSA-N 2 2 274.368 0.906 20 30 CCEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000305724941 389088036 /nfs/dbraw/zinc/08/80/36/389088036.db2.gz LFEQUHRWXKNING-CABCVRRESA-N 2 2 295.427 0.728 20 30 CCEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000305724941 389088038 /nfs/dbraw/zinc/08/80/38/389088038.db2.gz LFEQUHRWXKNING-CABCVRRESA-N 2 2 295.427 0.728 20 30 CCEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000108867958 389099039 /nfs/dbraw/zinc/09/90/39/389099039.db2.gz HMBDMOCUPLCYDD-GFCCVEGCSA-N 2 2 275.356 0.722 20 30 CCEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000108867958 389099045 /nfs/dbraw/zinc/09/90/45/389099045.db2.gz HMBDMOCUPLCYDD-GFCCVEGCSA-N 2 2 275.356 0.722 20 30 CCEDLP N#CCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000338993472 389120786 /nfs/dbraw/zinc/12/07/86/389120786.db2.gz TUCJODDRAREMTC-HNNXBMFYSA-N 2 2 281.400 0.961 20 30 CCEDLP N#CCCOCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000338993472 389120790 /nfs/dbraw/zinc/12/07/90/389120790.db2.gz TUCJODDRAREMTC-HNNXBMFYSA-N 2 2 281.400 0.961 20 30 CCEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000329820685 389204087 /nfs/dbraw/zinc/20/40/87/389204087.db2.gz YIIRBFSOKWPGTF-TZMCWYRMSA-N 2 2 296.415 0.305 20 30 CCEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000329820685 389204089 /nfs/dbraw/zinc/20/40/89/389204089.db2.gz YIIRBFSOKWPGTF-TZMCWYRMSA-N 2 2 296.415 0.305 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(C#N)CCC3)C2)CC1 ZINC000361153992 389209507 /nfs/dbraw/zinc/20/95/07/389209507.db2.gz NBJVBBVPRILGCQ-CYBMUJFWSA-N 2 2 290.411 0.965 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(C#N)CCC3)C2)CC1 ZINC000361153992 389209511 /nfs/dbraw/zinc/20/95/11/389209511.db2.gz NBJVBBVPRILGCQ-CYBMUJFWSA-N 2 2 290.411 0.965 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245588152 389212932 /nfs/dbraw/zinc/21/29/32/389212932.db2.gz KGUQJTAJYLKZDA-MELADBBJSA-N 2 2 274.368 0.904 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245588152 389212935 /nfs/dbraw/zinc/21/29/35/389212935.db2.gz KGUQJTAJYLKZDA-MELADBBJSA-N 2 2 274.368 0.904 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246538792 389229468 /nfs/dbraw/zinc/22/94/68/389229468.db2.gz BQPZEQMNGWSFIW-CABCVRRESA-N 2 2 293.411 0.169 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246538792 389229472 /nfs/dbraw/zinc/22/94/72/389229472.db2.gz BQPZEQMNGWSFIW-CABCVRRESA-N 2 2 293.411 0.169 20 30 CCEDLP C[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156438222 389326250 /nfs/dbraw/zinc/32/62/50/389326250.db2.gz XWYKBOUALBCSIM-RYUDHWBXSA-N 2 2 261.329 0.406 20 30 CCEDLP C[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156438222 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/nfs/dbraw/zinc/59/56/06/650595606.db2.gz HAERUIIBEILNAY-ZIAGYGMSSA-N 2 2 286.379 0.578 20 30 CCEDLP C[C@H](C#N)OCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000801933541 640676731 /nfs/dbraw/zinc/67/67/31/640676731.db2.gz CPSANKWDWOXQNX-TZMCWYRMSA-N 2 2 294.399 0.329 20 30 CCEDLP C[C@H](C#N)OCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000801933541 640676736 /nfs/dbraw/zinc/67/67/36/640676736.db2.gz CPSANKWDWOXQNX-TZMCWYRMSA-N 2 2 294.399 0.329 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016339907 650719532 /nfs/dbraw/zinc/71/95/32/650719532.db2.gz SEKDKUMYVNFYBU-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001016339907 650719535 /nfs/dbraw/zinc/71/95/35/650719535.db2.gz SEKDKUMYVNFYBU-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001016339907 650719540 /nfs/dbraw/zinc/71/95/40/650719540.db2.gz SEKDKUMYVNFYBU-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001016339907 650719543 /nfs/dbraw/zinc/71/95/43/650719543.db2.gz SEKDKUMYVNFYBU-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016855558 650767204 /nfs/dbraw/zinc/76/72/04/650767204.db2.gz UEHOGGGSKYFCBA-CYBMUJFWSA-N 2 2 272.352 0.556 20 30 CCEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001017417692 650800252 /nfs/dbraw/zinc/80/02/52/650800252.db2.gz GRXDCXAOOCIFOD-MJBXVCDLSA-N 2 2 263.385 0.942 20 30 CCEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001017417692 650800257 /nfs/dbraw/zinc/80/02/57/650800257.db2.gz GRXDCXAOOCIFOD-MJBXVCDLSA-N 2 2 263.385 0.942 20 30 CCEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001017417692 650800258 /nfs/dbraw/zinc/80/02/58/650800258.db2.gz GRXDCXAOOCIFOD-MJBXVCDLSA-N 2 2 263.385 0.942 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001017417692 650800261 /nfs/dbraw/zinc/80/02/61/650800261.db2.gz GRXDCXAOOCIFOD-MJBXVCDLSA-N 2 2 263.385 0.942 20 30 CCEDLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)ccn12 ZINC000852875915 644037915 /nfs/dbraw/zinc/03/79/15/644037915.db2.gz TUWAMFYJHYBLMU-NEPJUHHUSA-N 2 2 269.308 0.484 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001019056022 650933837 /nfs/dbraw/zinc/93/38/37/650933837.db2.gz HOQAOFCZBFIYKB-STQMWFEESA-N 2 2 272.352 0.269 20 30 CCEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000104160779 648203931 /nfs/dbraw/zinc/20/39/31/648203931.db2.gz CSSAKIFFTPGITM-ZIAGYGMSSA-N 2 2 299.463 0.198 20 30 CCEDLP CC(C)[C@H](CNC(=[NH2+])NCC1CCC1)[NH+]1CCN(C)CC1 ZINC000303782833 649825131 /nfs/dbraw/zinc/82/51/31/649825131.db2.gz NQZHMQZBTAJIME-HNNXBMFYSA-N 2 2 295.475 0.963 20 30 CCEDLP CCN(CC)C(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303784716 649825157 /nfs/dbraw/zinc/82/51/57/649825157.db2.gz PQPJUBCDILBYFB-AWEZNQCLSA-N 2 2 283.464 0.915 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038137047 791161522 /nfs/dbraw/zinc/16/15/22/791161522.db2.gz NSDUGJGZAWTSPO-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038137047 791161527 /nfs/dbraw/zinc/16/15/27/791161527.db2.gz NSDUGJGZAWTSPO-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038137047 791161533 /nfs/dbraw/zinc/16/15/33/791161533.db2.gz NSDUGJGZAWTSPO-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038137047 791161538 /nfs/dbraw/zinc/16/15/38/791161538.db2.gz NSDUGJGZAWTSPO-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041754653 790960089 /nfs/dbraw/zinc/96/00/89/790960089.db2.gz CJUZTAAHWVEAIO-OAHLLOKOSA-N 2 2 272.352 0.510 20 30 CCEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041754653 790960090 /nfs/dbraw/zinc/96/00/90/790960090.db2.gz CJUZTAAHWVEAIO-OAHLLOKOSA-N 2 2 272.352 0.510 20 30 CCEDLP C[NH+](C)CCN1CC[NH+](Cc2cc(C#N)ccc2O)CC1 ZINC001232673414 805967379 /nfs/dbraw/zinc/96/73/79/805967379.db2.gz FOYYIHZYSMZYOF-UHFFFAOYSA-N 2 2 288.395 0.943 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266716715 791175613 /nfs/dbraw/zinc/17/56/13/791175613.db2.gz NWFOHEBAJFWHOK-SDDRHHMPSA-N 2 2 260.341 0.458 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266716715 791175608 /nfs/dbraw/zinc/17/56/08/791175608.db2.gz NWFOHEBAJFWHOK-SDDRHHMPSA-N 2 2 260.341 0.458 20 30 CCEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267020526 791456223 /nfs/dbraw/zinc/45/62/23/791456223.db2.gz HKOMWUSLYADQIX-STQMWFEESA-N 2 2 274.368 0.802 20 30 CCEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267020526 791456230 /nfs/dbraw/zinc/45/62/30/791456230.db2.gz HKOMWUSLYADQIX-STQMWFEESA-N 2 2 274.368 0.802 20 30 CCEDLP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235452130 806423916 /nfs/dbraw/zinc/42/39/16/806423916.db2.gz CELABKKQJHEBCH-GOEBONIOSA-N 2 2 294.443 0.517 20 30 CCEDLP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](C[C@H](C)[NH3+])C2 ZINC001235452130 806423920 /nfs/dbraw/zinc/42/39/20/806423920.db2.gz CELABKKQJHEBCH-GOEBONIOSA-N 2 2 294.443 0.517 20 30 CCEDLP C=CCN1CC[C@]2(CCC[N@@H+](C[C@@H](C)[NH3+])C2)C1=O ZINC001235495000 806434596 /nfs/dbraw/zinc/43/45/96/806434596.db2.gz VCWNYFZGZOWDSU-OCCSQVGLSA-N 2 2 251.374 0.834 20 30 CCEDLP C=CCN1CC[C@]2(CCC[N@H+](C[C@@H](C)[NH3+])C2)C1=O ZINC001235495000 806434601 /nfs/dbraw/zinc/43/46/01/806434601.db2.gz VCWNYFZGZOWDSU-OCCSQVGLSA-N 2 2 251.374 0.834 20 30 CCEDLP C=CC[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001278099244 806668430 /nfs/dbraw/zinc/66/84/30/806668430.db2.gz HASLUCMYDKSTSQ-NSHDSACASA-N 2 2 274.324 0.429 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001121998444 799117930 /nfs/dbraw/zinc/11/79/30/799117930.db2.gz ZEQOQLGNDJSJBN-RDBSUJKOSA-N 2 2 283.416 0.895 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001121998442 799118217 /nfs/dbraw/zinc/11/82/17/799118217.db2.gz ZEQOQLGNDJSJBN-MCIONIFRSA-N 2 2 283.416 0.895 20 30 CCEDLP N#CCCN(Cc1cccnc1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157720657 801463235 /nfs/dbraw/zinc/46/32/35/801463235.db2.gz NRMWOPJQJJXVKW-CQSZACIVSA-N 2 2 298.350 0.617 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971443 801543192 /nfs/dbraw/zinc/54/31/92/801543192.db2.gz YFVJYHSXXUCMAN-ZFWWWQNUSA-N 2 2 257.337 0.510 20 30 CCEDLP N#Cc1cncc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158260201 801608851 /nfs/dbraw/zinc/60/88/51/801608851.db2.gz YEMVQFQWJWVLNX-LLVKDONJSA-N 2 2 272.356 0.350 20 30 CCEDLP N#Cc1cncc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158260201 801608854 /nfs/dbraw/zinc/60/88/54/801608854.db2.gz YEMVQFQWJWVLNX-LLVKDONJSA-N 2 2 272.356 0.350 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001159381551 801799693 /nfs/dbraw/zinc/79/96/93/801799693.db2.gz ASTQFBZTZSAECN-HNNXBMFYSA-N 2 2 286.379 0.806 20 30 CCEDLP N#Cc1c(F)ccnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160513295 801956520 /nfs/dbraw/zinc/95/65/20/801956520.db2.gz MGMGKVOVQUXODG-AWEZNQCLSA-N 2 2 275.331 0.927 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161310644 802123821 /nfs/dbraw/zinc/12/38/21/802123821.db2.gz XARWLOOJYXZYNH-GFCCVEGCSA-N 2 2 262.357 0.727 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)C1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323270 802127203 /nfs/dbraw/zinc/12/72/03/802127203.db2.gz HIZMWZWHGORBAI-GFCCVEGCSA-N 2 2 274.368 0.552 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323270 802127209 /nfs/dbraw/zinc/12/72/09/802127209.db2.gz HIZMWZWHGORBAI-GFCCVEGCSA-N 2 2 274.368 0.552 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323270 802127216 /nfs/dbraw/zinc/12/72/16/802127216.db2.gz HIZMWZWHGORBAI-GFCCVEGCSA-N 2 2 274.368 0.552 20 30 CCEDLP C[NH+](C)C1(CNc2ccnc(C#N)n2)CC[NH+](C)CC1 ZINC001164206761 802687763 /nfs/dbraw/zinc/68/77/63/802687763.db2.gz BPLOWISJJKNDCR-UHFFFAOYSA-N 2 2 274.372 0.208 20 30 CCEDLP C#CCC[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001276633738 803596457 /nfs/dbraw/zinc/59/64/57/803596457.db2.gz KGPFKHINFPNUPC-CQSZACIVSA-N 2 2 274.368 0.781 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210668893 803656583 /nfs/dbraw/zinc/65/65/83/803656583.db2.gz RILHMHWCNRQZNI-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213970412 803709423 /nfs/dbraw/zinc/70/94/23/803709423.db2.gz GKOWWZWHJAQWFE-ZIAGYGMSSA-N 2 2 292.383 0.665 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213970412 803709428 /nfs/dbraw/zinc/70/94/28/803709428.db2.gz GKOWWZWHJAQWFE-ZIAGYGMSSA-N 2 2 292.383 0.665 20 30 CCEDLP N#Cc1ccnc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001218504609 803971210 /nfs/dbraw/zinc/97/12/10/803971210.db2.gz QHDQRMZHCDXLEI-UHFFFAOYSA-N 2 2 259.313 0.233 20 30 CCEDLP COc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218979232 804171396 /nfs/dbraw/zinc/17/13/96/804171396.db2.gz HWEOLMGNDIOMHV-KOLCDFICSA-N 2 2 260.297 0.195 20 30 CCEDLP N#Cc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(C#N)c1 ZINC001219393818 804298275 /nfs/dbraw/zinc/29/82/75/804298275.db2.gz ROPYGUSKSHAJDU-GFCCVEGCSA-N 2 2 280.291 0.662 20 30 CCEDLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cccc(C#N)c1 ZINC001220046931 804483832 /nfs/dbraw/zinc/48/38/32/804483832.db2.gz KEXGSCZQHXRKLS-SGIREYDYSA-N 2 2 284.363 0.687 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001276916161 804988228 /nfs/dbraw/zinc/98/82/28/804988228.db2.gz JTFPRTDQQJLAMD-OAHLLOKOSA-N 2 2 293.411 0.169 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001276916161 804988235 /nfs/dbraw/zinc/98/82/35/804988235.db2.gz JTFPRTDQQJLAMD-OAHLLOKOSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224957093 805096163 /nfs/dbraw/zinc/09/61/63/805096163.db2.gz CKKZNPSDCSYRMJ-UHFFFAOYSA-N 2 2 260.341 0.414 20 30 CCEDLP C=CCOC1CCC([N@H+]2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246932759 807434069 /nfs/dbraw/zinc/43/40/69/807434069.db2.gz HKVNCHBPZVHHHN-PQAZSJQKSA-N 2 2 282.384 0.932 20 30 CCEDLP C=CCOC1CCC([N@@H+]2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246932759 807434072 /nfs/dbraw/zinc/43/40/72/807434072.db2.gz HKVNCHBPZVHHHN-PQAZSJQKSA-N 2 2 282.384 0.932 20 30 CCEDLP C=C[C@@H](O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001253573263 808081024 /nfs/dbraw/zinc/08/10/24/808081024.db2.gz HJHRCHFWAQXFSU-GFCCVEGCSA-N 2 2 262.357 0.792 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107523 815244750 /nfs/dbraw/zinc/24/47/50/815244750.db2.gz ZUWHQCFYWUZFNS-LSDHHAIUSA-N 2 2 286.379 0.829 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107523 815244754 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CC#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001279845638 809997896 /nfs/dbraw/zinc/99/78/96/809997896.db2.gz BTQVICCKKYAHAW-ZDUSSCGKSA-N 2 2 292.383 0.022 20 30 CCEDLP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001279845638 809997899 /nfs/dbraw/zinc/99/78/99/809997899.db2.gz BTQVICCKKYAHAW-ZDUSSCGKSA-N 2 2 292.383 0.022 20 30 CCEDLP CC#CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001267337345 811174341 /nfs/dbraw/zinc/17/43/41/811174341.db2.gz RDDPVBBRSDUWAO-UHFFFAOYSA-N 2 2 288.395 0.957 20 30 CCEDLP CC#CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001267337345 811174347 /nfs/dbraw/zinc/17/43/47/811174347.db2.gz RDDPVBBRSDUWAO-UHFFFAOYSA-N 2 2 288.395 0.957 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083571514 815478531 /nfs/dbraw/zinc/47/85/31/815478531.db2.gz AIWCXEUTKOFZPN-RDBSUJKOSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083571514 815478533 /nfs/dbraw/zinc/47/85/33/815478533.db2.gz AIWCXEUTKOFZPN-RDBSUJKOSA-N 2 2 281.400 0.208 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267991704 811930983 /nfs/dbraw/zinc/93/09/83/811930983.db2.gz QJFZHKYCVZTVMR-GFCCVEGCSA-N 2 2 276.384 0.902 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268646788 812970919 /nfs/dbraw/zinc/97/09/19/812970919.db2.gz YNZYLHVROXUMOQ-LLVKDONJSA-N 2 2 270.336 0.984 20 30 CCEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390194 814667593 /nfs/dbraw/zinc/66/75/93/814667593.db2.gz HWWNMCKSYWCMJX-ZDUSSCGKSA-N 2 2 274.368 0.946 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001030031463 815658566 /nfs/dbraw/zinc/65/85/66/815658566.db2.gz LUEMARSFZRTSCD-KKUMJFAQSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC001030031463 815658573 /nfs/dbraw/zinc/65/85/73/815658573.db2.gz LUEMARSFZRTSCD-KKUMJFAQSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](C)O)C1 ZINC001030031463 815658580 /nfs/dbraw/zinc/65/85/80/815658580.db2.gz LUEMARSFZRTSCD-KKUMJFAQSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](C)O)C1 ZINC001030031463 815658585 /nfs/dbraw/zinc/65/85/85/815658585.db2.gz LUEMARSFZRTSCD-KKUMJFAQSA-N 2 2 293.411 0.045 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074527 816235656 /nfs/dbraw/zinc/23/56/56/816235656.db2.gz JYGPUKYKQSZXSL-OLZOCXBDSA-N 2 2 260.341 0.485 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074527 816235659 /nfs/dbraw/zinc/23/56/59/816235659.db2.gz JYGPUKYKQSZXSL-OLZOCXBDSA-N 2 2 260.341 0.485 20 30 CCEDLP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046217790 816443694 /nfs/dbraw/zinc/44/36/94/816443694.db2.gz HVINSESKPDMZNH-HIFRSBDPSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046217790 816443702 /nfs/dbraw/zinc/44/37/02/816443702.db2.gz HVINSESKPDMZNH-HIFRSBDPSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046217790 816443710 /nfs/dbraw/zinc/44/37/10/816443710.db2.gz HVINSESKPDMZNH-HIFRSBDPSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046217790 816443714 /nfs/dbraw/zinc/44/37/14/816443714.db2.gz HVINSESKPDMZNH-HIFRSBDPSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CC(=C)C)C2)CC1 ZINC001031434692 817052266 /nfs/dbraw/zinc/05/22/66/817052266.db2.gz AIEWQLMMRXDRNT-UHFFFAOYSA-N 2 2 275.396 0.708 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044295213 818347109 /nfs/dbraw/zinc/34/71/09/818347109.db2.gz OCQBXPNCVXFBAO-UHFFFAOYSA-N 2 2 251.374 0.801 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001044694854 818645261 /nfs/dbraw/zinc/64/52/61/818645261.db2.gz SSIPGMCORMDTRU-UONOGXRCSA-N 2 2 274.368 0.876 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001035484364 819532210 /nfs/dbraw/zinc/53/22/10/819532210.db2.gz GQDFKIPRYLBQHS-SOUVJXGZSA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035484364 819532215 /nfs/dbraw/zinc/53/22/15/819532215.db2.gz GQDFKIPRYLBQHS-SOUVJXGZSA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035484364 819532219 /nfs/dbraw/zinc/53/22/19/819532219.db2.gz GQDFKIPRYLBQHS-SOUVJXGZSA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035484364 819532224 /nfs/dbraw/zinc/53/22/24/819532224.db2.gz GQDFKIPRYLBQHS-SOUVJXGZSA-N 2 2 295.427 0.720 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001036046111 819676776 /nfs/dbraw/zinc/67/67/76/819676776.db2.gz HTWRFFXBQJDSOC-TZMCWYRMSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001036046111 819676782 /nfs/dbraw/zinc/67/67/82/819676782.db2.gz HTWRFFXBQJDSOC-TZMCWYRMSA-N 2 2 274.368 0.802 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001036315081 819724079 /nfs/dbraw/zinc/72/40/79/819724079.db2.gz PMHXBFCQGNLNQJ-QWHCGFSZSA-N 2 2 262.357 0.896 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC=C)C[C@H]1C ZINC001079878020 820477825 /nfs/dbraw/zinc/47/78/25/820477825.db2.gz BIPPBGGQQDASPW-KFWWJZLASA-N 2 2 275.396 0.707 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC=C)C[C@H]1C ZINC001079878020 820477830 /nfs/dbraw/zinc/47/78/30/820477830.db2.gz BIPPBGGQQDASPW-KFWWJZLASA-N 2 2 275.396 0.707 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C)C[C@H]1C ZINC001079878020 820477836 /nfs/dbraw/zinc/47/78/36/820477836.db2.gz BIPPBGGQQDASPW-KFWWJZLASA-N 2 2 275.396 0.707 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C)C[C@H]1C ZINC001079878020 820477840 /nfs/dbraw/zinc/47/78/40/820477840.db2.gz BIPPBGGQQDASPW-KFWWJZLASA-N 2 2 275.396 0.707 20 30 CCEDLP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080324876 820548861 /nfs/dbraw/zinc/54/88/61/820548861.db2.gz HSZKSLIDPPZQND-KFWWJZLASA-N 2 2 293.411 0.165 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083119702 821136875 /nfs/dbraw/zinc/13/68/75/821136875.db2.gz GYFPJRNGTFJGMP-QLFBSQMISA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083119702 821136880 /nfs/dbraw/zinc/13/68/80/821136880.db2.gz GYFPJRNGTFJGMP-QLFBSQMISA-N 2 2 293.411 0.262 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108193588 821239582 /nfs/dbraw/zinc/23/95/82/821239582.db2.gz KENLSKHEMNEIRX-GDBMZVCRSA-N 2 2 297.443 0.966 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108193588 821239588 /nfs/dbraw/zinc/23/95/88/821239588.db2.gz KENLSKHEMNEIRX-GDBMZVCRSA-N 2 2 297.443 0.966 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481561 837804489 /nfs/dbraw/zinc/80/44/89/837804489.db2.gz WFWOMEAEVWUSQR-LBPRGKRZSA-N 2 2 260.341 0.175 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138830 836776099 /nfs/dbraw/zinc/77/60/99/836776099.db2.gz LECUMSUJQUAGDH-ZIAGYGMSSA-N 2 2 292.383 0.401 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138830 836776107 /nfs/dbraw/zinc/77/61/07/836776107.db2.gz LECUMSUJQUAGDH-ZIAGYGMSSA-N 2 2 292.383 0.401 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001112911859 836961766 /nfs/dbraw/zinc/96/17/66/836961766.db2.gz ZIXYMSAEYTZYBY-AWEZNQCLSA-N 2 2 283.391 0.834 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001113019236 837000958 /nfs/dbraw/zinc/00/09/58/837000958.db2.gz KALUYWFBQVYVHS-OAHLLOKOSA-N 2 2 295.427 0.818 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001113019236 837000967 /nfs/dbraw/zinc/00/09/67/837000967.db2.gz KALUYWFBQVYVHS-OAHLLOKOSA-N 2 2 295.427 0.818 20 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C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032784143 898191935 /nfs/dbraw/zinc/19/19/35/898191935.db2.gz JMMMITTTXXIUCJ-STQMWFEESA-N 2 2 258.325 0.110 20 30 CCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001078228060 898301500 /nfs/dbraw/zinc/30/15/00/898301500.db2.gz AWTHMOIJNBLUKZ-MGPQQGTHSA-N 2 2 281.400 0.208 20 30 CCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001078228060 898301509 /nfs/dbraw/zinc/30/15/09/898301509.db2.gz AWTHMOIJNBLUKZ-MGPQQGTHSA-N 2 2 281.400 0.208 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078228060 898301518 /nfs/dbraw/zinc/30/15/18/898301518.db2.gz AWTHMOIJNBLUKZ-MGPQQGTHSA-N 2 2 281.400 0.208 20 30 CCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078228060 898301526 /nfs/dbraw/zinc/30/15/26/898301526.db2.gz AWTHMOIJNBLUKZ-MGPQQGTHSA-N 2 2 281.400 0.208 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001485896119 898492570 /nfs/dbraw/zinc/49/25/70/898492570.db2.gz YDDLTPFZPVZMGQ-KBPBESRZSA-N 2 2 288.395 0.905 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485896121 898493464 /nfs/dbraw/zinc/49/34/64/898493464.db2.gz YDDLTPFZPVZMGQ-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CC[NH2+]C1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001491358016 903508251 /nfs/dbraw/zinc/50/82/51/903508251.db2.gz MCZZIMSYYSPOMR-UHFFFAOYSA-N 2 2 274.368 0.923 20 30 CCEDLP C#CC[NH2+][C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001491463695 903610615 /nfs/dbraw/zinc/61/06/15/903610615.db2.gz PVRMJMGZLGTVBH-LBPRGKRZSA-N 2 2 274.368 0.489 20 30 CCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001283546211 904903106 /nfs/dbraw/zinc/90/31/06/904903106.db2.gz WZVJNCWDAPAIRY-ZDUSSCGKSA-N 2 2 260.341 0.412 20 30 CCEDLP C=CC[NH2+][C@@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001283785792 905013001 /nfs/dbraw/zinc/01/30/01/905013001.db2.gz VXXHTFWAKDUPAF-CYBMUJFWSA-N 2 2 277.368 0.873 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001491888576 907623820 /nfs/dbraw/zinc/62/38/20/907623820.db2.gz HZJKLUTUTXBPLN-CHWSQXEVSA-N 2 2 274.368 0.993 20 30 CCEDLP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317352407 908178737 /nfs/dbraw/zinc/17/87/37/908178737.db2.gz DKIFOEWONUMESE-STQMWFEESA-N 2 2 274.368 0.993 20 30 CCEDLP C=C(C)C[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001316853268 908809067 /nfs/dbraw/zinc/80/90/67/908809067.db2.gz QDOCBGFXTKJACP-UHFFFAOYSA-N 2 2 250.346 0.966 20 30 CCEDLP C=C(C)C[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001316853268 908809084 /nfs/dbraw/zinc/80/90/84/908809084.db2.gz QDOCBGFXTKJACP-UHFFFAOYSA-N 2 2 250.346 0.966 20 30 CCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001317535292 909303827 /nfs/dbraw/zinc/30/38/27/909303827.db2.gz HUUXBUZFMOFBKU-CQSZACIVSA-N 2 2 274.368 0.735 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001317535292 909303839 /nfs/dbraw/zinc/30/38/39/909303839.db2.gz HUUXBUZFMOFBKU-CQSZACIVSA-N 2 2 274.368 0.735 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001318346911 909715905 /nfs/dbraw/zinc/71/59/05/909715905.db2.gz JDBLYCANCUELBF-CYBMUJFWSA-N 2 2 260.341 0.487 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001318346911 909715914 /nfs/dbraw/zinc/71/59/14/909715914.db2.gz JDBLYCANCUELBF-CYBMUJFWSA-N 2 2 260.341 0.487 20 30 CCEDLP CC#CC[NH2+]CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001322805313 911965338 /nfs/dbraw/zinc/96/53/38/911965338.db2.gz FWLXTQPVGHAJOQ-UHFFFAOYSA-N 2 2 262.357 0.722 20 30 CCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001329718203 916145234 /nfs/dbraw/zinc/14/52/34/916145234.db2.gz RDQLYIFUSCESRD-UHFFFAOYSA-N 2 2 281.400 0.211 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332322705 918052815 /nfs/dbraw/zinc/05/28/15/918052815.db2.gz NHIJHYOMPZQOEO-CHWSQXEVSA-N 2 2 274.368 0.850 20 30 CCEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001418211401 921921630 /nfs/dbraw/zinc/92/16/30/921921630.db2.gz RNKQFZMFCJSCQW-GHMZBOCLSA-N 2 2 275.780 0.164 20 30 CCEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001418211401 921921621 /nfs/dbraw/zinc/92/16/21/921921621.db2.gz RNKQFZMFCJSCQW-GHMZBOCLSA-N 2 2 275.780 0.164 20 30 CCEDLP C#CC[NH2+]CC(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC001340790820 922221970 /nfs/dbraw/zinc/22/19/70/922221970.db2.gz QBIVEWOLIZOVTF-HNNXBMFYSA-N 2 2 295.427 0.462 20 30 CCEDLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC001342609359 923023075 /nfs/dbraw/zinc/02/30/75/923023075.db2.gz SFAJZSZDHPHJAZ-OLZOCXBDSA-N 2 2 282.388 0.235 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001344708738 923671123 /nfs/dbraw/zinc/67/11/23/923671123.db2.gz QDJYDJHTEMICFL-CYBMUJFWSA-N 3 2 268.405 0.209 20 30 CCEDLP C=C(C)CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346453956 924220972 /nfs/dbraw/zinc/22/09/72/924220972.db2.gz VNPWHVSJFOLPOE-UHFFFAOYSA-N 2 2 254.378 0.675 20 30 CCEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000573490931 334942155 /nfs/dbraw/zinc/94/21/55/334942155.db2.gz RSUGPROPGYFRQV-OLZOCXBDSA-N 2 2 250.346 0.476 20 30 CCEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000602730633 362774849 /nfs/dbraw/zinc/77/48/49/362774849.db2.gz SJAQCLWJGOPBRV-KBPBESRZSA-N 2 2 281.400 0.742 20 30 CCEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000602730633 362774854 /nfs/dbraw/zinc/77/48/54/362774854.db2.gz SJAQCLWJGOPBRV-KBPBESRZSA-N 2 2 281.400 0.742 20 30 CCEDLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H](C)N1CC#N ZINC000602849226 362836505 /nfs/dbraw/zinc/83/65/05/362836505.db2.gz KFHMHWIOIKAKID-UMVBOHGHSA-N 2 2 280.416 0.360 20 30 CCEDLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H](C)N1CC#N ZINC000602849226 362836508 /nfs/dbraw/zinc/83/65/08/362836508.db2.gz KFHMHWIOIKAKID-UMVBOHGHSA-N 2 2 280.416 0.360 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000344255948 137186359 /nfs/dbraw/zinc/18/63/59/137186359.db2.gz GORRGHFICKFNNS-LBPRGKRZSA-N 2 2 290.367 0.828 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000344255948 137186360 /nfs/dbraw/zinc/18/63/60/137186360.db2.gz GORRGHFICKFNNS-LBPRGKRZSA-N 2 2 290.367 0.828 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000037749415 348200723 /nfs/dbraw/zinc/20/07/23/348200723.db2.gz WIVFHOKNRPXFGC-UHFFFAOYSA-N 2 2 272.352 0.422 20 30 CCEDLP N#Cc1ccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)nc1 ZINC000179267354 351263516 /nfs/dbraw/zinc/26/35/16/351263516.db2.gz ZSZJGSIKNXITLX-UHFFFAOYSA-N 2 2 282.351 0.972 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)NCCn1cc[nH+]c1 ZINC000296591681 353951935 /nfs/dbraw/zinc/95/19/35/353951935.db2.gz XABLMGFWPOQQSI-UHFFFAOYSA-N 2 2 263.345 0.137 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)NCCn1cc[nH+]c1 ZINC000296591681 353951937 /nfs/dbraw/zinc/95/19/37/353951937.db2.gz XABLMGFWPOQQSI-UHFFFAOYSA-N 2 2 263.345 0.137 20 30 CCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000300691691 354067273 /nfs/dbraw/zinc/06/72/73/354067273.db2.gz XYRMLWGVFZQFCD-GJZGRUSLSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000300691691 354067279 /nfs/dbraw/zinc/06/72/79/354067279.db2.gz XYRMLWGVFZQFCD-GJZGRUSLSA-N 2 2 289.379 0.982 20 30 CCEDLP C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609921546 363529661 /nfs/dbraw/zinc/52/96/61/363529661.db2.gz KTRUJWRYLBVASU-NWDGAFQWSA-N 2 2 264.373 0.431 20 30 CCEDLP C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609921546 363529666 /nfs/dbraw/zinc/52/96/66/363529666.db2.gz KTRUJWRYLBVASU-NWDGAFQWSA-N 2 2 264.373 0.431 20 30 CCEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC#N)C1 ZINC000397821174 357772814 /nfs/dbraw/zinc/77/28/14/357772814.db2.gz KVQXCPODRNOCCC-ZIAGYGMSSA-N 2 2 269.389 0.551 20 30 CCEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CC#N)C1 ZINC000397821174 357772816 /nfs/dbraw/zinc/77/28/16/357772816.db2.gz KVQXCPODRNOCCC-ZIAGYGMSSA-N 2 2 269.389 0.551 20 30 CCEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397821174 357772817 /nfs/dbraw/zinc/77/28/17/357772817.db2.gz KVQXCPODRNOCCC-ZIAGYGMSSA-N 2 2 269.389 0.551 20 30 CCEDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397821174 357772819 /nfs/dbraw/zinc/77/28/19/357772819.db2.gz KVQXCPODRNOCCC-ZIAGYGMSSA-N 2 2 269.389 0.551 20 30 CCEDLP CC[C@@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[NH+](C)C ZINC000413276892 358119690 /nfs/dbraw/zinc/11/96/90/358119690.db2.gz DHXXZSCWMPWCFE-AWEZNQCLSA-N 2 2 296.415 0.401 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000491781907 358297849 /nfs/dbraw/zinc/29/78/49/358297849.db2.gz LKRLNOUQHIIDRM-FPLPWBNLSA-N 2 2 274.368 0.988 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)/C=C\c1[nH+]ccn1CC ZINC000491781907 358297852 /nfs/dbraw/zinc/29/78/52/358297852.db2.gz LKRLNOUQHIIDRM-FPLPWBNLSA-N 2 2 274.368 0.988 20 30 CCEDLP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000593052257 360021265 /nfs/dbraw/zinc/02/12/65/360021265.db2.gz PAZSSVWVKPMKBU-QWHCGFSZSA-N 2 2 264.373 0.384 20 30 CCEDLP C[NH+](C)CCN1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000593052257 360021272 /nfs/dbraw/zinc/02/12/72/360021272.db2.gz PAZSSVWVKPMKBU-QWHCGFSZSA-N 2 2 264.373 0.384 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594445163 360312403 /nfs/dbraw/zinc/31/24/03/360312403.db2.gz AZHUAWLHZWOUIN-GFCCVEGCSA-N 2 2 252.362 0.562 20 30 CCEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595256798 360461482 /nfs/dbraw/zinc/46/14/82/360461482.db2.gz SNXDWQLTHACZAT-ZIAGYGMSSA-N 2 2 294.399 0.331 20 30 CCEDLP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)C#N ZINC000595821612 360667822 /nfs/dbraw/zinc/66/78/22/360667822.db2.gz XIAMTIMOGOQLCG-GFCCVEGCSA-N 2 2 252.362 0.384 20 30 CCEDLP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)C#N ZINC000595821612 360667827 /nfs/dbraw/zinc/66/78/27/360667827.db2.gz XIAMTIMOGOQLCG-GFCCVEGCSA-N 2 2 252.362 0.384 20 30 CCEDLP CC[C@H](C#N)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597991599 361299465 /nfs/dbraw/zinc/29/94/65/361299465.db2.gz FNRRFEJKLUPTSR-GFCCVEGCSA-N 2 2 254.378 0.536 20 30 CCEDLP CC[C@H](C#N)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597991599 361299468 /nfs/dbraw/zinc/29/94/68/361299468.db2.gz FNRRFEJKLUPTSR-GFCCVEGCSA-N 2 2 254.378 0.536 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000685002164 545784696 /nfs/dbraw/zinc/78/46/96/545784696.db2.gz YCTBTGAXBUCTKX-HNNXBMFYSA-N 2 2 286.379 0.991 20 30 CCEDLP C=C(C)CS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071909 412883231 /nfs/dbraw/zinc/88/32/31/412883231.db2.gz WTSOJJVAIOSWLY-ZDUSSCGKSA-N 2 2 291.461 0.754 20 30 CCEDLP C=C(C)CS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071909 412883232 /nfs/dbraw/zinc/88/32/32/412883232.db2.gz WTSOJJVAIOSWLY-ZDUSSCGKSA-N 2 2 291.461 0.754 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858483 388951898 /nfs/dbraw/zinc/95/18/98/388951898.db2.gz DQWQSMRFAPFBMI-HUUCEWRRSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858483 388951899 /nfs/dbraw/zinc/95/18/99/388951899.db2.gz DQWQSMRFAPFBMI-HUUCEWRRSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337199099 389053192 /nfs/dbraw/zinc/05/31/92/389053192.db2.gz YLZBETBKLWWESF-LSDHHAIUSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337199099 389053196 /nfs/dbraw/zinc/05/31/96/389053196.db2.gz YLZBETBKLWWESF-LSDHHAIUSA-N 2 2 293.411 0.427 20 30 CCEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCOCC1)c1ccccc1 ZINC000104153761 389079795 /nfs/dbraw/zinc/07/97/95/389079795.db2.gz IZKXAJQDIVOIJH-CQSZACIVSA-N 2 2 276.384 0.936 20 30 CCEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000108867960 389098923 /nfs/dbraw/zinc/09/89/23/389098923.db2.gz HMBDMOCUPLCYDD-LBPRGKRZSA-N 2 2 275.356 0.722 20 30 CCEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000108867960 389098924 /nfs/dbraw/zinc/09/89/24/389098924.db2.gz HMBDMOCUPLCYDD-LBPRGKRZSA-N 2 2 275.356 0.722 20 30 CCEDLP C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH+](C)C ZINC000330254260 389219426 /nfs/dbraw/zinc/21/94/26/389219426.db2.gz AUBPTXQELABOLP-JHJVBQTASA-N 2 2 291.399 0.994 20 30 CCEDLP C[C@H]1COCC[N@H+](CC#CC[NH+]2CCOC[C@@H](C)C2)C1 ZINC000367063525 389317874 /nfs/dbraw/zinc/31/78/74/389317874.db2.gz XBOUVHWSEXZGGD-IYBDPMFKSA-N 2 2 280.412 0.926 20 30 CCEDLP C[C@H]1COCC[N@@H+](CC#CC[NH+]2CCOC[C@@H](C)C2)C1 ZINC000367063525 389317877 /nfs/dbraw/zinc/31/78/77/389317877.db2.gz XBOUVHWSEXZGGD-IYBDPMFKSA-N 2 2 280.412 0.926 20 30 CCEDLP C[C@H]1COCC[NH+](CC#CC[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000367063525 389317878 /nfs/dbraw/zinc/31/78/78/389317878.db2.gz XBOUVHWSEXZGGD-IYBDPMFKSA-N 2 2 280.412 0.926 20 30 CCEDLP C[C@H]1COCC[NH+](CC#CC[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000367063525 389317882 /nfs/dbraw/zinc/31/78/82/389317882.db2.gz XBOUVHWSEXZGGD-IYBDPMFKSA-N 2 2 280.412 0.926 20 30 CCEDLP CN1CC[NH+]=C1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261590178 389272938 /nfs/dbraw/zinc/27/29/38/389272938.db2.gz LCQUMZPZPXKVEN-OAHLLOKOSA-N 2 2 288.395 0.778 20 30 CCEDLP CN1CC[NH+]=C1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261590178 389272943 /nfs/dbraw/zinc/27/29/43/389272943.db2.gz LCQUMZPZPXKVEN-OAHLLOKOSA-N 2 2 288.395 0.778 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150840758 389274295 /nfs/dbraw/zinc/27/42/95/389274295.db2.gz GPIKQSWZHKTCES-CYBMUJFWSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150840758 389274298 /nfs/dbraw/zinc/27/42/98/389274298.db2.gz GPIKQSWZHKTCES-CYBMUJFWSA-N 2 2 251.374 0.706 20 30 CCEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCOCC1)c1cccs1 ZINC000262257332 389283732 /nfs/dbraw/zinc/28/37/32/389283732.db2.gz JDUCKOCPCAAUPQ-NSHDSACASA-N 2 2 282.413 0.998 20 30 CCEDLP C=CCN1CC[C@H]([NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1=O ZINC000420365764 389992853 /nfs/dbraw/zinc/99/28/53/389992853.db2.gz LNAVEXBIVJJDCH-ZDEQEGDKSA-N 2 2 251.374 0.749 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C(C2CC2)C2CC2)CC1 ZINC000490780695 390107885 /nfs/dbraw/zinc/10/78/85/390107885.db2.gz PFRSXFGDWZNDNA-UHFFFAOYSA-N 2 2 289.423 0.884 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000572644150 390794770 /nfs/dbraw/zinc/79/47/70/390794770.db2.gz SWNSIZQTIABOGH-QNMSZWNNSA-N 2 2 263.385 0.988 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000572644150 390794772 /nfs/dbraw/zinc/79/47/72/390794772.db2.gz SWNSIZQTIABOGH-QNMSZWNNSA-N 2 2 263.385 0.988 20 30 CCEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000549761060 286097962 /nfs/dbraw/zinc/09/79/62/286097962.db2.gz BSBHYMONZULXKA-LLVKDONJSA-N 2 2 281.323 0.976 20 30 CCEDLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346975144 226000190 /nfs/dbraw/zinc/00/01/90/226000190.db2.gz UUSWSWKLLSXBHD-GFCCVEGCSA-N 2 2 264.373 0.432 20 30 CCEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000346975144 226000193 /nfs/dbraw/zinc/00/01/93/226000193.db2.gz UUSWSWKLLSXBHD-GFCCVEGCSA-N 2 2 264.373 0.432 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250511954 544923071 /nfs/dbraw/zinc/92/30/71/544923071.db2.gz CBAIXBZIQSAFDB-QWHCGFSZSA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250511954 544923075 /nfs/dbraw/zinc/92/30/75/544923075.db2.gz CBAIXBZIQSAFDB-QWHCGFSZSA-N 2 2 251.374 0.753 20 30 CCEDLP C#CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490874152 261234188 /nfs/dbraw/zinc/23/41/88/261234188.db2.gz LLSKFEMDGJTRLL-CQSZACIVSA-N 2 2 295.408 0.704 20 30 CCEDLP C#CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000490874152 261234189 /nfs/dbraw/zinc/23/41/89/261234189.db2.gz LLSKFEMDGJTRLL-CQSZACIVSA-N 2 2 295.408 0.704 20 30 CCEDLP Cn1cc[nH+]c1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000330841473 264065612 /nfs/dbraw/zinc/06/56/12/264065612.db2.gz MJXKLSFZCVPBJS-NSHDSACASA-N 2 2 281.360 0.097 20 30 CCEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCC#N ZINC000075861222 264334878 /nfs/dbraw/zinc/33/48/78/264334878.db2.gz HSMNAHUVSFHTAR-GFCCVEGCSA-N 2 2 252.362 0.432 20 30 CCEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCC#N ZINC000075861222 264334879 /nfs/dbraw/zinc/33/48/79/264334879.db2.gz HSMNAHUVSFHTAR-GFCCVEGCSA-N 2 2 252.362 0.432 20 30 CCEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NCC#N ZINC000075861222 264334882 /nfs/dbraw/zinc/33/48/82/264334882.db2.gz HSMNAHUVSFHTAR-GFCCVEGCSA-N 2 2 252.362 0.432 20 30 CCEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NCC#N ZINC000075861222 264334884 /nfs/dbraw/zinc/33/48/84/264334884.db2.gz HSMNAHUVSFHTAR-GFCCVEGCSA-N 2 2 252.362 0.432 20 30 CCEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479222 266294380 /nfs/dbraw/zinc/29/43/80/266294380.db2.gz FECXHQYRJWTBQK-ZIAGYGMSSA-N 2 2 280.416 0.878 20 30 CCEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479222 266294383 /nfs/dbraw/zinc/29/43/83/266294383.db2.gz FECXHQYRJWTBQK-ZIAGYGMSSA-N 2 2 280.416 0.878 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649321 266339601 /nfs/dbraw/zinc/33/96/01/266339601.db2.gz PJKKKPPWLWXYBN-LBPRGKRZSA-N 2 2 269.389 0.066 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649321 266339605 /nfs/dbraw/zinc/33/96/05/266339605.db2.gz PJKKKPPWLWXYBN-LBPRGKRZSA-N 2 2 269.389 0.066 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371293267 267383796 /nfs/dbraw/zinc/38/37/96/267383796.db2.gz GDZJMIFRUVPIMD-MELADBBJSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371293267 267383801 /nfs/dbraw/zinc/38/38/01/267383801.db2.gz GDZJMIFRUVPIMD-MELADBBJSA-N 2 2 281.400 0.472 20 30 CCEDLP CC1(C)COCC[N@@H+]1CCNC(=[NH2+])NCC1CCC1 ZINC000170914949 329072508 /nfs/dbraw/zinc/07/25/08/329072508.db2.gz RKQXWSDSJXTVNG-UHFFFAOYSA-N 2 2 268.405 0.802 20 30 CCEDLP CC1(C)COCC[N@H+]1CCNC(=[NH2+])NCC1CCC1 ZINC000170914949 329072510 /nfs/dbraw/zinc/07/25/10/329072510.db2.gz RKQXWSDSJXTVNG-UHFFFAOYSA-N 2 2 268.405 0.802 20 30 CCEDLP CC1(C)C[N@H+](CCNC(=[NH2+])NC[C@H]2CCCO2)CCO1 ZINC000171146082 329074857 /nfs/dbraw/zinc/07/48/57/329074857.db2.gz VFGAYNSYSZMVAO-GFCCVEGCSA-N 2 2 284.404 0.181 20 30 CCEDLP CC1(C)C[N@@H+](CCNC(=[NH2+])NC[C@H]2CCCO2)CCO1 ZINC000171146082 329074858 /nfs/dbraw/zinc/07/48/58/329074858.db2.gz VFGAYNSYSZMVAO-GFCCVEGCSA-N 2 2 284.404 0.181 20 30 CCEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2(CC#N)CC2)C[C@H](C)O1 ZINC000568619854 327005390 /nfs/dbraw/zinc/00/53/90/327005390.db2.gz IWDZEMSYVBOYIW-MJBXVCDLSA-N 2 2 281.400 0.740 20 30 CCEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2(CC#N)CC2)C[C@H](C)O1 ZINC000568619854 327005391 /nfs/dbraw/zinc/00/53/91/327005391.db2.gz IWDZEMSYVBOYIW-MJBXVCDLSA-N 2 2 281.400 0.740 20 30 CCEDLP C[C@H]1CN(C(=[NH2+])NCCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000262434973 330010508 /nfs/dbraw/zinc/01/05/08/330010508.db2.gz GADRMDGNGATCIJ-LBPRGKRZSA-N 2 2 291.399 0.797 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC[C@H]1CCOC1 ZINC000262693703 330027515 /nfs/dbraw/zinc/02/75/15/330027515.db2.gz CVXJCJQGBIHVGT-LLVKDONJSA-N 2 2 251.334 0.085 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NCC1CC1 ZINC000262768474 330030208 /nfs/dbraw/zinc/03/02/08/330030208.db2.gz GRGJVOAWRKQCIF-UHFFFAOYSA-N 2 2 256.419 0.610 20 30 CCEDLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1CCC1 ZINC000263030722 330039719 /nfs/dbraw/zinc/03/97/19/330039719.db2.gz BEYHRRFODLSMJW-BETUJISGSA-N 2 2 266.389 0.554 20 30 CCEDLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1CCC1 ZINC000263030722 330039720 /nfs/dbraw/zinc/03/97/20/330039720.db2.gz BEYHRRFODLSMJW-BETUJISGSA-N 2 2 266.389 0.554 20 30 CCEDLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CCC1 ZINC000263051770 330040745 /nfs/dbraw/zinc/04/07/45/330040745.db2.gz DOOJXTZKTBJHCE-TXEJJXNPSA-N 2 2 252.362 0.306 20 30 CCEDLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC1CCC1 ZINC000263051770 330040746 /nfs/dbraw/zinc/04/07/46/330040746.db2.gz DOOJXTZKTBJHCE-TXEJJXNPSA-N 2 2 252.362 0.306 20 30 CCEDLP CC[NH+](CC)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162500008 330060981 /nfs/dbraw/zinc/06/09/81/330060981.db2.gz PXVIBWBDHNRYDC-UHFFFAOYSA-N 2 2 296.415 0.403 20 30 CCEDLP CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c[nH+]1 ZINC000424134915 330267778 /nfs/dbraw/zinc/26/77/78/330267778.db2.gz OLIGENYCEPUCIN-LBPRGKRZSA-N 2 2 275.356 0.785 20 30 CCEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000424170928 330311156 /nfs/dbraw/zinc/31/11/56/330311156.db2.gz LKLBRUPJKJSWSO-OLZOCXBDSA-N 2 2 287.367 0.798 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C[C@H](C)OC)CC1 ZINC000491460696 332215487 /nfs/dbraw/zinc/21/54/87/332215487.db2.gz ASMBKJUAMXNCQA-AWEZNQCLSA-N 2 2 281.400 0.121 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C[C@H](C)OC)CC1 ZINC000491460696 332215489 /nfs/dbraw/zinc/21/54/89/332215489.db2.gz 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ZINC000669936941 545223993 /nfs/dbraw/zinc/22/39/93/545223993.db2.gz MERWPOOOCCZEHL-HUUCEWRRSA-N 2 2 268.401 0.968 20 30 CCEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000669936941 545223994 /nfs/dbraw/zinc/22/39/94/545223994.db2.gz MERWPOOOCCZEHL-HUUCEWRRSA-N 2 2 268.401 0.968 20 30 CCEDLP N#CCCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729920594 581620711 /nfs/dbraw/zinc/62/07/11/581620711.db2.gz MTAVVZUGJANPTH-GFCCVEGCSA-N 2 2 261.329 0.550 20 30 CCEDLP N#CCCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729920594 581620713 /nfs/dbraw/zinc/62/07/13/581620713.db2.gz MTAVVZUGJANPTH-GFCCVEGCSA-N 2 2 261.329 0.550 20 30 CCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOCCO)cc1 ZINC000763420607 581998709 /nfs/dbraw/zinc/99/87/09/581998709.db2.gz SVCCVSKRKNVXJB-UHFFFAOYSA-N 2 2 281.356 0.394 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738334692 582037485 /nfs/dbraw/zinc/03/74/85/582037485.db2.gz KCJUMXUDLMBPBU-AWEZNQCLSA-N 2 2 263.385 0.686 20 30 CCEDLP 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C=CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000950495476 613708423 /nfs/dbraw/zinc/70/84/23/613708423.db2.gz GDCPKVDGQGBUEU-ZDUSSCGKSA-N 2 2 251.374 0.801 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000950495476 613708424 /nfs/dbraw/zinc/70/84/24/613708424.db2.gz GDCPKVDGQGBUEU-ZDUSSCGKSA-N 2 2 251.374 0.801 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572417 613855227 /nfs/dbraw/zinc/85/52/27/613855227.db2.gz PSGIMOCFIOGRRH-XQQFMLRXSA-N 2 2 251.374 0.703 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572417 613855228 /nfs/dbraw/zinc/85/52/28/613855228.db2.gz PSGIMOCFIOGRRH-XQQFMLRXSA-N 2 2 251.374 0.703 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572417 613855230 /nfs/dbraw/zinc/85/52/30/613855230.db2.gz PSGIMOCFIOGRRH-XQQFMLRXSA-N 2 2 251.374 0.703 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572417 613855231 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C#CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001026613320 625481955 /nfs/dbraw/zinc/48/19/55/625481955.db2.gz CFGJXKGZEIROTD-UHFFFAOYSA-N 2 2 260.341 0.533 20 30 CCEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375398 623300531 /nfs/dbraw/zinc/30/05/31/623300531.db2.gz RLOINLURPGMRLX-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375398 623300536 /nfs/dbraw/zinc/30/05/36/623300536.db2.gz RLOINLURPGMRLX-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024375398 623300540 /nfs/dbraw/zinc/30/05/40/623300540.db2.gz RLOINLURPGMRLX-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024375398 623300547 /nfs/dbraw/zinc/30/05/47/623300547.db2.gz RLOINLURPGMRLX-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001024365533 623301265 /nfs/dbraw/zinc/30/12/65/623301265.db2.gz CEDZGAUZRUAFBO-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001024365533 623301270 /nfs/dbraw/zinc/30/12/70/623301270.db2.gz CEDZGAUZRUAFBO-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001024365533 623301281 /nfs/dbraw/zinc/30/12/81/623301281.db2.gz CEDZGAUZRUAFBO-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702033 630859149 /nfs/dbraw/zinc/85/91/49/630859149.db2.gz QSMVIUIINFMAKR-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702033 630859153 /nfs/dbraw/zinc/85/91/53/630859153.db2.gz QSMVIUIINFMAKR-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893020 631437887 /nfs/dbraw/zinc/43/78/87/631437887.db2.gz JQWOOGUAUGYEHD-TZMCWYRMSA-N 2 2 289.383 0.722 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001000426637 639087980 /nfs/dbraw/zinc/08/79/80/639087980.db2.gz KBIOJGGYGCFFIR-CHWSQXEVSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001000426637 639087983 /nfs/dbraw/zinc/08/79/83/639087983.db2.gz KBIOJGGYGCFFIR-CHWSQXEVSA-N 2 2 274.368 0.802 20 30 CCEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001000690020 639152982 /nfs/dbraw/zinc/15/29/82/639152982.db2.gz QWRBBKKWIVEMIF-GFCCVEGCSA-N 2 2 262.357 0.729 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014989670 650512366 /nfs/dbraw/zinc/51/23/66/650512366.db2.gz JKANVADMFZISLE-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014989670 650512368 /nfs/dbraw/zinc/51/23/68/650512368.db2.gz JKANVADMFZISLE-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621589 650595046 /nfs/dbraw/zinc/59/50/46/650595046.db2.gz HAERUIIBEILNAY-KBPBESRZSA-N 2 2 286.379 0.578 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621589 650595049 /nfs/dbraw/zinc/59/50/49/650595049.db2.gz HAERUIIBEILNAY-KBPBESRZSA-N 2 2 286.379 0.578 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001019061153 650934549 /nfs/dbraw/zinc/93/45/49/650934549.db2.gz SMVRGTFHSVNWDJ-OLZOCXBDSA-N 2 2 286.379 0.647 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001019061153 650934552 /nfs/dbraw/zinc/93/45/52/650934552.db2.gz SMVRGTFHSVNWDJ-OLZOCXBDSA-N 2 2 286.379 0.647 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001019061261 650934795 /nfs/dbraw/zinc/93/47/95/650934795.db2.gz WNVIGURNBWLFMK-OLZOCXBDSA-N 2 2 274.368 0.822 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001019055965 650934123 /nfs/dbraw/zinc/93/41/23/650934123.db2.gz FHJBTDWOKRXMHA-STQMWFEESA-N 2 2 274.368 0.822 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001020255354 651052982 /nfs/dbraw/zinc/05/29/82/651052982.db2.gz JYBSBCNXUZNDTP-DDHJBXDOSA-N 2 2 260.341 0.936 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001020255354 651052984 /nfs/dbraw/zinc/05/29/84/651052984.db2.gz JYBSBCNXUZNDTP-DDHJBXDOSA-N 2 2 260.341 0.936 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001020308737 651058444 /nfs/dbraw/zinc/05/84/44/651058444.db2.gz OAOWBJOWDHLZHD-AVGNSLFASA-N 2 2 272.352 0.316 20 30 CCEDLP COCC[N@H+](C)CCNC(=[NH2+])N1CCCCCC1 ZINC000305092519 649841353 /nfs/dbraw/zinc/84/13/53/649841353.db2.gz XNVVHFLRPKEFPJ-UHFFFAOYSA-N 2 2 256.394 0.755 20 30 CCEDLP COCC[N@@H+](C)CCNC(=[NH2+])N1CCCCCC1 ZINC000305092519 649841354 /nfs/dbraw/zinc/84/13/54/649841354.db2.gz XNVVHFLRPKEFPJ-UHFFFAOYSA-N 2 2 256.394 0.755 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161301885 790847376 /nfs/dbraw/zinc/84/73/76/790847376.db2.gz ZGXFJGHMLYUIJJ-LBPRGKRZSA-N 2 2 262.357 0.727 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001266523912 790868686 /nfs/dbraw/zinc/86/86/86/790868686.db2.gz XUVLZAFTCFPYRP-ZDUSSCGKSA-N 2 2 276.384 0.977 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001266523912 790868698 /nfs/dbraw/zinc/86/86/98/790868698.db2.gz XUVLZAFTCFPYRP-ZDUSSCGKSA-N 2 2 276.384 0.977 20 30 CCEDLP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855290 791161675 /nfs/dbraw/zinc/16/16/75/791161675.db2.gz GYMKOOPRNRGULO-MRXNPFEDSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855290 791161683 /nfs/dbraw/zinc/16/16/83/791161683.db2.gz GYMKOOPRNRGULO-MRXNPFEDSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267013125 791444393 /nfs/dbraw/zinc/44/43/93/791444393.db2.gz VIJLUYZHOSHCEC-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267133739 791579839 /nfs/dbraw/zinc/57/98/39/791579839.db2.gz LXWPVDSLWUFJNH-STQMWFEESA-N 2 2 274.368 0.563 20 30 CCEDLP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267135134 791580853 /nfs/dbraw/zinc/58/08/53/791580853.db2.gz ZZGRGZBLOTZOQS-ZIAGYGMSSA-N 2 2 288.395 0.953 20 30 CCEDLP CC#CC[N@H+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC001267255892 793252113 /nfs/dbraw/zinc/25/21/13/793252113.db2.gz RTRSIHNYWKSNEE-UHFFFAOYSA-N 2 2 262.357 0.424 20 30 CCEDLP CC#CC[N@@H+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC001267255892 793252117 /nfs/dbraw/zinc/25/21/17/793252117.db2.gz RTRSIHNYWKSNEE-UHFFFAOYSA-N 2 2 262.357 0.424 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277862448 806256995 /nfs/dbraw/zinc/25/69/95/806256995.db2.gz JFOBGFHEXHBCFC-KBPBESRZSA-N 2 2 288.395 0.905 20 30 CCEDLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC001122253216 799179943 /nfs/dbraw/zinc/17/99/43/799179943.db2.gz AVCOHWCADMXTNN-KBPBESRZSA-N 2 2 296.415 0.625 20 30 CCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983422 800310712 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Cc1nc(C#N)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001218649531 804057927 /nfs/dbraw/zinc/05/79/27/804057927.db2.gz DHAKGLTVLBAQDH-QMMMGPOBSA-N 2 2 260.257 0.086 20 30 CCEDLP N#Cc1cccc2[nH]nc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)c21 ZINC001218656059 804066338 /nfs/dbraw/zinc/06/63/38/804066338.db2.gz BHYOOFMTAMBQOH-SCZZXKLOSA-N 2 2 270.296 0.062 20 30 CCEDLP Cc1coc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1C#N ZINC001218765676 804116346 /nfs/dbraw/zinc/11/63/46/804116346.db2.gz ZQBWEUSKVZBHTA-UHFFFAOYSA-N 2 2 262.313 0.740 20 30 CCEDLP N#C[C@H]1CC[C@H](NC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001220094602 804498342 /nfs/dbraw/zinc/49/83/42/804498342.db2.gz AQXDRPJOXNFNQC-XYPYZODXSA-N 2 2 250.346 0.266 20 30 CCEDLP C=C(C)C(=O)OCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220124795 804506031 /nfs/dbraw/zinc/50/60/31/804506031.db2.gz LFLYFWYXQYUIMB-ZDUSSCGKSA-N 2 2 291.351 0.494 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)NCCSCc1[nH]c[nH+]c1C ZINC001220256934 804553668 /nfs/dbraw/zinc/55/36/68/804553668.db2.gz JIBHYDOGNJEVNY-LBPRGKRZSA-N 2 2 266.370 0.418 20 30 CCEDLP CC1(C)CC(=O)C=C(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001220413680 804599266 /nfs/dbraw/zinc/59/92/66/804599266.db2.gz NRGQWXDSFZBXHK-TVYUQYBPSA-N 2 2 277.368 0.326 20 30 CCEDLP C#CC1(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCCCC1 ZINC001221276370 804762217 /nfs/dbraw/zinc/76/22/17/804762217.db2.gz XCCZJFQZBHWGES-GFCCVEGCSA-N 2 2 260.341 0.732 20 30 CCEDLP C[N@H+]1[C@@H]2C[C@@H](OCCC[NH+]3CCOCC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224869056 805085359 /nfs/dbraw/zinc/08/53/59/805085359.db2.gz DBLLGDWYNAFFTQ-ABWMFPBJSA-N 2 2 282.384 0.338 20 30 CCEDLP C[N@@H+]1[C@@H]2C[C@@H](OCCC[NH+]3CCOCC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224869056 805085368 /nfs/dbraw/zinc/08/53/68/805085368.db2.gz DBLLGDWYNAFFTQ-ABWMFPBJSA-N 2 2 282.384 0.338 20 30 CCEDLP C=C[C@@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246005063 807113558 /nfs/dbraw/zinc/11/35/58/807113558.db2.gz CWXWERBNIIODOT-CABCVRRESA-N 2 2 292.379 0.974 20 30 CCEDLP Cc1ccc(C(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)cc1C ZINC001251045457 807655218 /nfs/dbraw/zinc/65/52/18/807655218.db2.gz GSTIMTUHVXBZIX-HNNXBMFYSA-N 2 2 291.395 0.702 20 30 CCEDLP C=CCOC[C@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001252460516 807872496 /nfs/dbraw/zinc/87/24/96/807872496.db2.gz FXCPYQJAUSNCNI-GFCCVEGCSA-N 2 2 265.357 0.682 20 30 CCEDLP C=CCOC[C@@H](O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001252466893 807876917 /nfs/dbraw/zinc/87/69/17/807876917.db2.gz SWVSSEDDSPETBP-AWEZNQCLSA-N 2 2 256.390 0.966 20 30 CCEDLP C=CCOC[C@@H](O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001252466893 807876926 /nfs/dbraw/zinc/87/69/26/807876926.db2.gz SWVSSEDDSPETBP-AWEZNQCLSA-N 2 2 256.390 0.966 20 30 CCEDLP C=CCOC[C@H](O)C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001252473254 807885900 /nfs/dbraw/zinc/88/59/00/807885900.db2.gz JLQLLPSCUZJUIZ-BFHYXJOUSA-N 2 2 254.374 0.576 20 30 CCEDLP C=CCOC[C@H](O)C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001252473254 807885907 /nfs/dbraw/zinc/88/59/07/807885907.db2.gz JLQLLPSCUZJUIZ-BFHYXJOUSA-N 2 2 254.374 0.576 20 30 CCEDLP C=CCOC[C@H](O)C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252473254 807885912 /nfs/dbraw/zinc/88/59/12/807885912.db2.gz JLQLLPSCUZJUIZ-BFHYXJOUSA-N 2 2 254.374 0.576 20 30 CCEDLP C=CCOC[C@H](O)C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252473254 807885918 /nfs/dbraw/zinc/88/59/18/807885918.db2.gz JLQLLPSCUZJUIZ-BFHYXJOUSA-N 2 2 254.374 0.576 20 30 CCEDLP C=C[C@H](O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001253573264 808081241 /nfs/dbraw/zinc/08/12/41/808081241.db2.gz HJHRCHFWAQXFSU-LBPRGKRZSA-N 2 2 262.357 0.792 20 30 CCEDLP C=C[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001253577297 808086275 /nfs/dbraw/zinc/08/62/75/808086275.db2.gz SVTBERWQCHNTQR-ZDUSSCGKSA-N 2 2 281.400 0.210 20 30 CCEDLP C=C[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001253577297 808086281 /nfs/dbraw/zinc/08/62/81/808086281.db2.gz SVTBERWQCHNTQR-ZDUSSCGKSA-N 2 2 281.400 0.210 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088814667 815193470 /nfs/dbraw/zinc/19/34/70/815193470.db2.gz CZLAQMYZMAKNDS-ILXRZTDVSA-N 2 2 293.411 0.308 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088814667 815193475 /nfs/dbraw/zinc/19/34/75/815193475.db2.gz CZLAQMYZMAKNDS-ILXRZTDVSA-N 2 2 293.411 0.308 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088814667 815193478 /nfs/dbraw/zinc/19/34/78/815193478.db2.gz CZLAQMYZMAKNDS-ILXRZTDVSA-N 2 2 293.411 0.308 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088814667 815193482 /nfs/dbraw/zinc/19/34/82/815193482.db2.gz CZLAQMYZMAKNDS-ILXRZTDVSA-N 2 2 293.411 0.308 20 30 CCEDLP N#C[C@H]1C[NH2+]CCN1C1CCC([NH+]2CCOCC2)CC1 ZINC001256690250 808550685 /nfs/dbraw/zinc/55/06/85/808550685.db2.gz GQOUSNMJAZFHPI-NRXISQOPSA-N 2 2 278.400 0.427 20 30 CCEDLP CC#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCOC ZINC001279041288 808635463 /nfs/dbraw/zinc/63/54/63/808635463.db2.gz VZRSVLWNDPDADC-CQSZACIVSA-N 2 2 281.400 0.169 20 30 CCEDLP CC#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CCOC ZINC001279041288 808635466 /nfs/dbraw/zinc/63/54/66/808635466.db2.gz VZRSVLWNDPDADC-CQSZACIVSA-N 2 2 281.400 0.169 20 30 CCEDLP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CCOC ZINC001279041288 808635467 /nfs/dbraw/zinc/63/54/67/808635467.db2.gz VZRSVLWNDPDADC-CQSZACIVSA-N 2 2 281.400 0.169 20 30 CCEDLP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CCOC ZINC001279041288 808635474 /nfs/dbraw/zinc/63/54/74/808635474.db2.gz VZRSVLWNDPDADC-CQSZACIVSA-N 2 2 281.400 0.169 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001264153807 809635144 /nfs/dbraw/zinc/63/51/44/809635144.db2.gz HDIKWBDMKDLWLM-OLZOCXBDSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001264153807 809635149 /nfs/dbraw/zinc/63/51/49/809635149.db2.gz HDIKWBDMKDLWLM-OLZOCXBDSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001265804927 809858137 /nfs/dbraw/zinc/85/81/37/809858137.db2.gz URESWQTVVUOEHW-LBPRGKRZSA-N 2 2 262.357 0.470 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275174 811432883 /nfs/dbraw/zinc/43/28/83/811432883.db2.gz RLTFOFRNBNHSFJ-LSDHHAIUSA-N 2 2 291.395 0.017 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083275174 811432890 /nfs/dbraw/zinc/43/28/90/811432890.db2.gz RLTFOFRNBNHSFJ-LSDHHAIUSA-N 2 2 291.395 0.017 20 30 CCEDLP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267993409 811930577 /nfs/dbraw/zinc/93/05/77/811930577.db2.gz YBYBMPAEVWXYOZ-STQMWFEESA-N 2 2 276.384 0.973 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645971 813110381 /nfs/dbraw/zinc/11/03/81/813110381.db2.gz PMKNLQNBTLRPEK-LBPRGKRZSA-N 2 2 290.367 0.421 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645971 813110385 /nfs/dbraw/zinc/11/03/85/813110385.db2.gz PMKNLQNBTLRPEK-LBPRGKRZSA-N 2 2 290.367 0.421 20 30 CCEDLP CC#CC[NH+]1CC(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001268844873 813111216 /nfs/dbraw/zinc/11/12/16/813111216.db2.gz ZKWDEVHBWKVDEN-UHFFFAOYSA-N 2 2 288.395 0.998 20 30 CCEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001038408704 813543740 /nfs/dbraw/zinc/54/37/40/813543740.db2.gz LAIHHFGJPLOTEI-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001038408704 813543745 /nfs/dbraw/zinc/54/37/45/813543745.db2.gz LAIHHFGJPLOTEI-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038408704 813543749 /nfs/dbraw/zinc/54/37/49/813543749.db2.gz LAIHHFGJPLOTEI-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038408704 813543752 /nfs/dbraw/zinc/54/37/52/813543752.db2.gz LAIHHFGJPLOTEI-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030959886 816504148 /nfs/dbraw/zinc/50/41/48/816504148.db2.gz FSSQRIAIBLFMHY-YPMHNXCESA-N 2 2 251.374 0.561 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030959886 816504152 /nfs/dbraw/zinc/50/41/52/816504152.db2.gz FSSQRIAIBLFMHY-YPMHNXCESA-N 2 2 251.374 0.561 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001083823300 818461900 /nfs/dbraw/zinc/46/19/00/818461900.db2.gz QRMMBJBYBHHSBV-OLZOCXBDSA-N 2 2 292.383 0.354 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001083823300 818461904 /nfs/dbraw/zinc/46/19/04/818461904.db2.gz QRMMBJBYBHHSBV-OLZOCXBDSA-N 2 2 292.383 0.354 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033620165 818855923 /nfs/dbraw/zinc/85/59/23/818855923.db2.gz OBLKZPOFTDLZLI-CYBMUJFWSA-N 2 2 274.368 0.817 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033620165 818855933 /nfs/dbraw/zinc/85/59/33/818855933.db2.gz OBLKZPOFTDLZLI-CYBMUJFWSA-N 2 2 274.368 0.817 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034139888 819085005 /nfs/dbraw/zinc/08/50/05/819085005.db2.gz WFOUPSNXWTVYAX-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001034139888 819085009 /nfs/dbraw/zinc/08/50/09/819085009.db2.gz WFOUPSNXWTVYAX-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034139888 819085013 /nfs/dbraw/zinc/08/50/13/819085013.db2.gz WFOUPSNXWTVYAX-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034139888 819085017 /nfs/dbraw/zinc/08/50/17/819085017.db2.gz WFOUPSNXWTVYAX-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259506 819426417 /nfs/dbraw/zinc/42/64/17/819426417.db2.gz OZQWNPTUCJPOEM-UHFFFAOYSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035259506 819426421 /nfs/dbraw/zinc/42/64/21/819426421.db2.gz OZQWNPTUCJPOEM-UHFFFAOYSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001036126657 819693359 /nfs/dbraw/zinc/69/33/59/819693359.db2.gz PNYMISOCYVBETB-KGLIPLIRSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001036126656 819694035 /nfs/dbraw/zinc/69/40/35/819694035.db2.gz PNYMISOCYVBETB-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183085 820090432 /nfs/dbraw/zinc/09/04/32/820090432.db2.gz WJIHWYXHFLRIJK-HNNXBMFYSA-N 2 2 281.400 0.169 20 30 CCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183085 820090439 /nfs/dbraw/zinc/09/04/39/820090439.db2.gz WJIHWYXHFLRIJK-HNNXBMFYSA-N 2 2 281.400 0.169 20 30 CCEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080850504 820646291 /nfs/dbraw/zinc/64/62/91/820646291.db2.gz RUFMPAVRHRQZMD-ZWNOBZJWSA-N 2 2 262.357 0.883 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080850504 820646295 /nfs/dbraw/zinc/64/62/95/820646295.db2.gz RUFMPAVRHRQZMD-ZWNOBZJWSA-N 2 2 262.357 0.883 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081437722 820773843 /nfs/dbraw/zinc/77/38/43/820773843.db2.gz DYZCGPMRSITXLN-MGPQQGTHSA-N 2 2 281.400 0.472 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081437722 820773850 /nfs/dbraw/zinc/77/38/50/820773850.db2.gz DYZCGPMRSITXLN-MGPQQGTHSA-N 2 2 281.400 0.472 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081437722 820773853 /nfs/dbraw/zinc/77/38/53/820773853.db2.gz DYZCGPMRSITXLN-MGPQQGTHSA-N 2 2 281.400 0.472 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082600982 821004921 /nfs/dbraw/zinc/00/49/21/821004921.db2.gz HDURPPNYPFSIIR-UMVBOHGHSA-N 2 2 286.379 0.515 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091579 821199057 /nfs/dbraw/zinc/19/90/57/821199057.db2.gz FBCYDUNTOLSAJX-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091579 821199060 /nfs/dbraw/zinc/19/90/60/821199060.db2.gz FBCYDUNTOLSAJX-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091579 821199063 /nfs/dbraw/zinc/19/90/63/821199063.db2.gz FBCYDUNTOLSAJX-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091579 821199065 /nfs/dbraw/zinc/19/90/65/821199065.db2.gz FBCYDUNTOLSAJX-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001084673156 821347231 /nfs/dbraw/zinc/34/72/31/821347231.db2.gz IOWWBWBZOOWLPE-IXYNUQLISA-N 2 2 298.390 0.690 20 30 CCEDLP 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/nfs/dbraw/zinc/41/68/08/360416808.db2.gz HLBKUXZHIRMVMG-UHFFFAOYSA-N 2 2 259.357 0.907 20 30 CCEDLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595842583 360676075 /nfs/dbraw/zinc/67/60/75/360676075.db2.gz FXJXZUPINBRJPJ-CQSZACIVSA-N 2 2 264.373 0.386 20 30 CCEDLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595842583 360676081 /nfs/dbraw/zinc/67/60/81/360676081.db2.gz FXJXZUPINBRJPJ-CQSZACIVSA-N 2 2 264.373 0.386 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000596637576 360934384 /nfs/dbraw/zinc/93/43/84/360934384.db2.gz VGNYYCKCQGKGNN-UONOGXRCSA-N 2 2 295.431 0.861 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000596637576 360934390 /nfs/dbraw/zinc/93/43/90/360934390.db2.gz VGNYYCKCQGKGNN-UONOGXRCSA-N 2 2 295.431 0.861 20 30 CCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613210484 364161999 /nfs/dbraw/zinc/16/19/99/364161999.db2.gz XQDSNUSBEDHJBY-IHRRRGAJSA-N 2 2 265.401 0.951 20 30 CCEDLP C=CC[C@@]1(C(=O)NC[C@H]2COCC[N@H+]2C)CCC[NH2+]1 ZINC000638610222 375189986 /nfs/dbraw/zinc/18/99/86/375189986.db2.gz JBAMAXBMKNRLCE-JSGCOSHPSA-N 2 2 267.373 0.132 20 30 CCEDLP C=CC[C@@]1(C(=O)NC[C@H]2COCC[N@@H+]2C)CCC[NH2+]1 ZINC000638610222 375189992 /nfs/dbraw/zinc/18/99/92/375189992.db2.gz JBAMAXBMKNRLCE-JSGCOSHPSA-N 2 2 267.373 0.132 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764559 375992745 /nfs/dbraw/zinc/99/27/45/375992745.db2.gz GSNRWVYYFLMKTO-TZMCWYRMSA-N 2 2 269.389 0.066 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764559 375992752 /nfs/dbraw/zinc/99/27/52/375992752.db2.gz GSNRWVYYFLMKTO-TZMCWYRMSA-N 2 2 269.389 0.066 20 30 CCEDLP CC#CC[NH2+]Cc1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000641177231 376846497 /nfs/dbraw/zinc/84/64/97/376846497.db2.gz GJDJWSFEWXNWSP-UHFFFAOYSA-N 2 2 284.367 0.900 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003111 388984957 /nfs/dbraw/zinc/98/49/57/388984957.db2.gz SHEPHFQVGSSPLO-ZDUSSCGKSA-N 2 2 296.415 0.662 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076003111 388984960 /nfs/dbraw/zinc/98/49/60/388984960.db2.gz SHEPHFQVGSSPLO-ZDUSSCGKSA-N 2 2 296.415 0.662 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371850 389096274 /nfs/dbraw/zinc/09/62/74/389096274.db2.gz OVAFTRNWSOZAPR-AWEZNQCLSA-N 2 2 280.416 0.000 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371850 389096278 /nfs/dbraw/zinc/09/62/78/389096278.db2.gz OVAFTRNWSOZAPR-AWEZNQCLSA-N 2 2 280.416 0.000 20 30 CCEDLP C=CCOCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360896317 389205876 /nfs/dbraw/zinc/20/58/76/389205876.db2.gz FJZWCONCOAIMKS-UHFFFAOYSA-N 2 2 269.389 0.331 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126475814 389169853 /nfs/dbraw/zinc/16/98/53/389169853.db2.gz RGZKPVIUJJPWCY-CQSZACIVSA-N 2 2 294.443 0.082 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126475814 389169858 /nfs/dbraw/zinc/16/98/58/389169858.db2.gz RGZKPVIUJJPWCY-CQSZACIVSA-N 2 2 294.443 0.082 20 30 CCEDLP C#CCNC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126475814 389169862 /nfs/dbraw/zinc/16/98/62/389169862.db2.gz RGZKPVIUJJPWCY-CQSZACIVSA-N 2 2 294.443 0.082 20 30 CCEDLP C#CCNC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126475814 389169865 /nfs/dbraw/zinc/16/98/65/389169865.db2.gz RGZKPVIUJJPWCY-CQSZACIVSA-N 2 2 294.443 0.082 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245463474 389209294 /nfs/dbraw/zinc/20/92/94/389209294.db2.gz XKPZIQGYAJMOAL-GJZGRUSLSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245463474 389209298 /nfs/dbraw/zinc/20/92/98/389209298.db2.gz XKPZIQGYAJMOAL-GJZGRUSLSA-N 2 2 277.412 0.932 20 30 CCEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCc2ccccc21 ZINC000263113030 389298075 /nfs/dbraw/zinc/29/80/75/389298075.db2.gz FBIAYZFUKGYEER-AWEZNQCLSA-N 2 2 288.395 0.955 20 30 CCEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCc2ccccc21 ZINC000263113030 389298081 /nfs/dbraw/zinc/29/80/81/389298081.db2.gz FBIAYZFUKGYEER-AWEZNQCLSA-N 2 2 288.395 0.955 20 30 CCEDLP C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373477996 389486660 /nfs/dbraw/zinc/48/66/60/389486660.db2.gz AYWMPMPGYAWMPO-STQMWFEESA-N 2 2 278.400 0.476 20 30 CCEDLP C#C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373477996 389486663 /nfs/dbraw/zinc/48/66/63/389486663.db2.gz AYWMPMPGYAWMPO-STQMWFEESA-N 2 2 278.400 0.476 20 30 CCEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000447528770 389957132 /nfs/dbraw/zinc/95/71/32/389957132.db2.gz IKVXJLPWXRTXNQ-HZSPNIEDSA-N 2 2 278.400 0.998 20 30 CCEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000447528770 389957134 /nfs/dbraw/zinc/95/71/34/389957134.db2.gz IKVXJLPWXRTXNQ-HZSPNIEDSA-N 2 2 278.400 0.998 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CCOCC)CC1 ZINC000490779829 390107952 /nfs/dbraw/zinc/10/79/52/390107952.db2.gz AAQGAIQHZQUTPM-UHFFFAOYSA-N 2 2 281.400 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CCOCC)CC1 ZINC000490779829 390107953 /nfs/dbraw/zinc/10/79/53/390107953.db2.gz AAQGAIQHZQUTPM-UHFFFAOYSA-N 2 2 281.400 0.122 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565657854 390532544 /nfs/dbraw/zinc/53/25/44/390532544.db2.gz DLBILPMJOSLBSL-DOMZBBRYSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565657854 390532548 /nfs/dbraw/zinc/53/25/48/390532548.db2.gz DLBILPMJOSLBSL-DOMZBBRYSA-N 2 2 294.399 0.462 20 30 CCEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000565711343 390537641 /nfs/dbraw/zinc/53/76/41/390537641.db2.gz VJOFUZRXODSVOQ-CHWSQXEVSA-N 2 2 265.361 0.068 20 30 CCEDLP C[C@@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+](C)C1CC1 ZINC000567378317 390695970 /nfs/dbraw/zinc/69/59/70/390695970.db2.gz YCUDTVUGWAGABH-JSGCOSHPSA-N 2 2 268.405 0.265 20 30 CCEDLP C[C@@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+](C)C1CC1 ZINC000567378317 390695971 /nfs/dbraw/zinc/69/59/71/390695971.db2.gz YCUDTVUGWAGABH-JSGCOSHPSA-N 2 2 268.405 0.265 20 30 CCEDLP C[C@@H](CNC[C@H](O)C[NH+](C)CCC#N)[N@H+](C)C1CC1 ZINC000567378317 390695973 /nfs/dbraw/zinc/69/59/73/390695973.db2.gz YCUDTVUGWAGABH-JSGCOSHPSA-N 2 2 268.405 0.265 20 30 CCEDLP C[C@@H](CNC[C@H](O)C[NH+](C)CCC#N)[N@@H+](C)C1CC1 ZINC000567378317 390695974 /nfs/dbraw/zinc/69/59/74/390695974.db2.gz YCUDTVUGWAGABH-JSGCOSHPSA-N 2 2 268.405 0.265 20 30 CCEDLP COCC#CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696761 414446084 /nfs/dbraw/zinc/44/60/84/414446084.db2.gz PGPHAUSSYRMAER-UHFFFAOYSA-N 2 2 268.401 0.709 20 30 CCEDLP COCC#CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152303 414693568 /nfs/dbraw/zinc/69/35/68/414693568.db2.gz CTAOLJYZTUMOLG-AWEZNQCLSA-N 2 2 252.358 0.167 20 30 CCEDLP COCC#CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152303 414693569 /nfs/dbraw/zinc/69/35/69/414693569.db2.gz CTAOLJYZTUMOLG-AWEZNQCLSA-N 2 2 252.358 0.167 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153311 414694277 /nfs/dbraw/zinc/69/42/77/414694277.db2.gz QIDKMCQVDQPTSO-KBPBESRZSA-N 2 2 254.374 0.454 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153311 414694278 /nfs/dbraw/zinc/69/42/78/414694278.db2.gz QIDKMCQVDQPTSO-KBPBESRZSA-N 2 2 254.374 0.454 20 30 CCEDLP C=CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664536984 415411871 /nfs/dbraw/zinc/41/18/71/415411871.db2.gz BETYENAHAJXQCC-UHFFFAOYSA-N 2 2 268.405 0.888 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCC(C(=O)OC)CC1 ZINC000114077547 260670157 /nfs/dbraw/zinc/67/01/57/260670157.db2.gz GFWPMZRZZPQUDY-UHFFFAOYSA-N 2 2 293.371 0.344 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000490761175 261201858 /nfs/dbraw/zinc/20/18/58/261201858.db2.gz RSCHUWIPXWIIIR-OKILXGFUSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC000490761175 261201859 /nfs/dbraw/zinc/20/18/59/261201859.db2.gz RSCHUWIPXWIIIR-OKILXGFUSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCCOC2)CC1 ZINC000490761916 261202899 /nfs/dbraw/zinc/20/28/99/261202899.db2.gz YBIFVMLJUXSLOA-OAHLLOKOSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCCOC2)CC1 ZINC000490761916 261202901 /nfs/dbraw/zinc/20/29/01/261202901.db2.gz YBIFVMLJUXSLOA-OAHLLOKOSA-N 2 2 293.411 0.122 20 30 CCEDLP CC(C)(CNC(=[NH2+])NC[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000161473812 264287688 /nfs/dbraw/zinc/28/76/88/264287688.db2.gz YPNOKYIFFCQDAB-GFCCVEGCSA-N 2 2 284.404 0.181 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563351999 328057060 /nfs/dbraw/zinc/05/70/60/328057060.db2.gz FGTBTBDAOQPKLH-NSHDSACASA-N 2 2 291.355 0.221 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000563351999 328057061 /nfs/dbraw/zinc/05/70/61/328057061.db2.gz FGTBTBDAOQPKLH-NSHDSACASA-N 2 2 291.355 0.221 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1ccon1 ZINC000261846507 328142579 /nfs/dbraw/zinc/14/25/79/328142579.db2.gz XIUQEVFYRICTNC-UHFFFAOYSA-N 2 2 262.317 0.579 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC[C@H]1CCCO1 ZINC000262424080 328150173 /nfs/dbraw/zinc/15/01/73/328150173.db2.gz LHWOJRQAKXWNTE-GFCCVEGCSA-N 2 2 294.403 0.330 20 30 CCEDLP CN(C)C(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000178585852 329200730 /nfs/dbraw/zinc/20/07/30/329200730.db2.gz SONUOAGVYVBSLV-UHFFFAOYSA-N 3 2 281.448 0.813 20 30 CCEDLP C=C(C)C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000181244788 329227781 /nfs/dbraw/zinc/22/77/81/329227781.db2.gz MNNNQRYCYYWLHH-OAHLLOKOSA-N 2 2 297.443 0.967 20 30 CCEDLP C=C(C)C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000181244788 329227782 /nfs/dbraw/zinc/22/77/82/329227782.db2.gz MNNNQRYCYYWLHH-OAHLLOKOSA-N 2 2 297.443 0.967 20 30 CCEDLP C=C(C)C[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000181244788 329227786 /nfs/dbraw/zinc/22/77/86/329227786.db2.gz MNNNQRYCYYWLHH-OAHLLOKOSA-N 2 2 297.443 0.967 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC[C@]1(C)CCCO1 ZINC000261810912 329984751 /nfs/dbraw/zinc/98/47/51/329984751.db2.gz SMHLHYLBTNHSQM-ZDUSSCGKSA-N 2 2 265.361 0.617 20 30 CCEDLP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000262461675 330014738 /nfs/dbraw/zinc/01/47/38/330014738.db2.gz MOALQZBPVWJJOQ-GFCCVEGCSA-N 2 2 284.404 0.133 20 30 CCEDLP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000262461675 330014740 /nfs/dbraw/zinc/01/47/40/330014740.db2.gz MOALQZBPVWJJOQ-GFCCVEGCSA-N 2 2 284.404 0.133 20 30 CCEDLP C=C(C)CNC(=[NH2+])NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000263202852 330048992 /nfs/dbraw/zinc/04/89/92/330048992.db2.gz XOZVGBDNNFGSDS-TXEJJXNPSA-N 2 2 252.362 0.330 20 30 CCEDLP C=C(C)CNC(=[NH2+])NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000263202852 330048993 /nfs/dbraw/zinc/04/89/93/330048993.db2.gz XOZVGBDNNFGSDS-TXEJJXNPSA-N 2 2 252.362 0.330 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCN[C@@H]2C(=O)OCC)CC1 ZINC000422859563 330157742 /nfs/dbraw/zinc/15/77/42/330157742.db2.gz KJHJWTGGKZJYSG-KGLIPLIRSA-N 2 2 281.400 0.520 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000424382333 330349401 /nfs/dbraw/zinc/34/94/01/330349401.db2.gz SBLTYUQIGFJLAF-XUXIUFHCSA-N 2 2 254.374 0.934 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@H](C)COCC(=O)OC)CC1 ZINC000449127468 330900507 /nfs/dbraw/zinc/90/05/07/330900507.db2.gz WURYFDKNDFIUND-GFCCVEGCSA-N 2 2 270.373 0.805 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]2(CC)CO)CC1 ZINC000490719268 332108643 /nfs/dbraw/zinc/10/86/43/332108643.db2.gz LPDYKBGWESRFMX-MRXNPFEDSA-N 2 2 293.411 0.001 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]2(CC)CO)CC1 ZINC000490719268 332108645 /nfs/dbraw/zinc/10/86/45/332108645.db2.gz LPDYKBGWESRFMX-MRXNPFEDSA-N 2 2 293.411 0.001 20 30 CCEDLP C#CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000490874666 332123830 /nfs/dbraw/zinc/12/38/30/332123830.db2.gz NHMLYTGKTWTGNJ-ZDUSSCGKSA-N 2 2 281.381 0.314 20 30 CCEDLP C#CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000490874666 332123832 /nfs/dbraw/zinc/12/38/32/332123832.db2.gz NHMLYTGKTWTGNJ-ZDUSSCGKSA-N 2 2 281.381 0.314 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CC#N)CC2)CC1 ZINC000490934658 332130772 /nfs/dbraw/zinc/13/07/72/332130772.db2.gz JVOULDZKUDNJDA-UHFFFAOYSA-N 2 2 288.395 0.389 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000491267249 332177481 /nfs/dbraw/zinc/17/74/81/332177481.db2.gz SICOROLMMFYBMO-UHFFFAOYSA-N 2 2 298.350 0.347 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000491267249 332177482 /nfs/dbraw/zinc/17/74/82/332177482.db2.gz SICOROLMMFYBMO-UHFFFAOYSA-N 2 2 298.350 0.347 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000491326641 332190667 /nfs/dbraw/zinc/19/06/67/332190667.db2.gz OUFRTBQMPKONOZ-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000192234192 333233363 /nfs/dbraw/zinc/23/33/63/333233363.db2.gz JKQJFVMOPFAOLP-AWEZNQCLSA-N 2 2 286.379 0.684 20 30 CCEDLP C#CC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000192234192 333233365 /nfs/dbraw/zinc/23/33/65/333233365.db2.gz JKQJFVMOPFAOLP-AWEZNQCLSA-N 2 2 286.379 0.684 20 30 CCEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000081096057 334178399 /nfs/dbraw/zinc/17/83/99/334178399.db2.gz MCFJFEABGSXWAZ-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000081096057 334178400 /nfs/dbraw/zinc/17/84/00/334178400.db2.gz MCFJFEABGSXWAZ-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000081096057 334178401 /nfs/dbraw/zinc/17/84/01/334178401.db2.gz MCFJFEABGSXWAZ-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000081096057 334178402 /nfs/dbraw/zinc/17/84/02/334178402.db2.gz MCFJFEABGSXWAZ-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985164 545240948 /nfs/dbraw/zinc/24/09/48/545240948.db2.gz BMTDESOLSWRHOF-AWEZNQCLSA-N 2 2 281.400 0.475 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985164 545240949 /nfs/dbraw/zinc/24/09/49/545240949.db2.gz BMTDESOLSWRHOF-AWEZNQCLSA-N 2 2 281.400 0.475 20 30 CCEDLP COCC#CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000677820011 545373627 /nfs/dbraw/zinc/37/36/27/545373627.db2.gz TZYZYZWZWMHDRI-QLFBSQMISA-N 2 2 266.385 0.820 20 30 CCEDLP COCC#CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000677820011 545373628 /nfs/dbraw/zinc/37/36/28/545373628.db2.gz TZYZYZWZWMHDRI-QLFBSQMISA-N 2 2 266.385 0.820 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+](C(C)C)C(C)C)CC1 ZINC000778958292 581171898 /nfs/dbraw/zinc/17/18/98/581171898.db2.gz LNLBELORAHDAGC-UHFFFAOYSA-N 2 2 265.401 0.883 20 30 CCEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3cc[nH+]cc3)cn2)CC1 ZINC000779808472 581207705 /nfs/dbraw/zinc/20/77/05/581207705.db2.gz AEUZMBKGTTWWMK-UHFFFAOYSA-N 3 2 297.366 0.491 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000730105430 581646560 /nfs/dbraw/zinc/64/65/60/581646560.db2.gz IMDOLUTYRBAUGE-GJZGRUSLSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000730105430 581646563 /nfs/dbraw/zinc/64/65/63/581646563.db2.gz IMDOLUTYRBAUGE-GJZGRUSLSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000730105430 581646565 /nfs/dbraw/zinc/64/65/65/581646565.db2.gz IMDOLUTYRBAUGE-GJZGRUSLSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000730105430 581646567 /nfs/dbraw/zinc/64/65/67/581646567.db2.gz IMDOLUTYRBAUGE-GJZGRUSLSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749513204 582010944 /nfs/dbraw/zinc/01/09/44/582010944.db2.gz AZKIHOGAFOAPQU-UKRRQHHQSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749513204 582010945 /nfs/dbraw/zinc/01/09/45/582010945.db2.gz AZKIHOGAFOAPQU-UKRRQHHQSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749513204 582010947 /nfs/dbraw/zinc/01/09/47/582010947.db2.gz AZKIHOGAFOAPQU-UKRRQHHQSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749513204 582010950 /nfs/dbraw/zinc/01/09/50/582010950.db2.gz AZKIHOGAFOAPQU-UKRRQHHQSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cn2cccnc2n1 ZINC000894863792 613078791 /nfs/dbraw/zinc/07/87/91/613078791.db2.gz SZYXWGFJGXNKSL-UHFFFAOYSA-N 2 2 257.341 0.774 20 30 CCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cn2cccnc2n1 ZINC000894863792 613078793 /nfs/dbraw/zinc/07/87/93/613078793.db2.gz SZYXWGFJGXNKSL-UHFFFAOYSA-N 2 2 257.341 0.774 20 30 CCEDLP C#CC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000965886615 612954209 /nfs/dbraw/zinc/95/42/09/612954209.db2.gz QLURQVFINOCIFS-UHFFFAOYSA-N 2 2 286.379 0.911 20 30 CCEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981354134 612971893 /nfs/dbraw/zinc/97/18/93/612971893.db2.gz OGAYTDCWQPHUGV-NWDGAFQWSA-N 2 2 260.341 0.602 20 30 CCEDLP C#CCOCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708085 612982649 /nfs/dbraw/zinc/98/26/49/612982649.db2.gz QFMORAVFADIKKR-CQSZACIVSA-N 2 2 252.358 0.167 20 30 CCEDLP C#CCOCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708085 612982651 /nfs/dbraw/zinc/98/26/51/612982651.db2.gz QFMORAVFADIKKR-CQSZACIVSA-N 2 2 252.358 0.167 20 30 CCEDLP C#CCC[N@@H+](CCOC)C[C@H](O)C[NH+](C)C1CC1 ZINC000852749400 612989515 /nfs/dbraw/zinc/98/95/15/612989515.db2.gz WURLOCLYISQLSJ-CQSZACIVSA-N 2 2 254.374 0.413 20 30 CCEDLP C#CCC[N@H+](CCOC)C[C@H](O)C[NH+](C)C1CC1 ZINC000852749400 612989516 /nfs/dbraw/zinc/98/95/16/612989516.db2.gz WURLOCLYISQLSJ-CQSZACIVSA-N 2 2 254.374 0.413 20 30 CCEDLP C#CCC[NH+](CCOC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000852749400 612989517 /nfs/dbraw/zinc/98/95/17/612989517.db2.gz WURLOCLYISQLSJ-CQSZACIVSA-N 2 2 254.374 0.413 20 30 CCEDLP C#CCC[NH+](CCOC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000852749400 612989518 /nfs/dbraw/zinc/98/95/18/612989518.db2.gz WURLOCLYISQLSJ-CQSZACIVSA-N 2 2 254.374 0.413 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945809256 613027200 /nfs/dbraw/zinc/02/72/00/613027200.db2.gz SHESRZUKKGYCGA-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945809256 613027202 /nfs/dbraw/zinc/02/72/02/613027202.db2.gz SHESRZUKKGYCGA-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971812303 613082892 /nfs/dbraw/zinc/08/28/92/613082892.db2.gz XGORJMJLGMLQAW-ZIAGYGMSSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971812303 613082893 /nfs/dbraw/zinc/08/28/93/613082893.db2.gz XGORJMJLGMLQAW-ZIAGYGMSSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000804333003 613130940 /nfs/dbraw/zinc/13/09/40/613130940.db2.gz SNJIZHYCTMLOTI-CQSZACIVSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000884083542 613171528 /nfs/dbraw/zinc/17/15/28/613171528.db2.gz RDFPSNRXPOXTAP-ZIAGYGMSSA-N 2 2 289.383 0.668 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000884083542 613171530 /nfs/dbraw/zinc/17/15/30/613171530.db2.gz RDFPSNRXPOXTAP-ZIAGYGMSSA-N 2 2 289.383 0.668 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000923563115 613181578 /nfs/dbraw/zinc/18/15/78/613181578.db2.gz AQMCTOPNKAYUGQ-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000923563115 613181580 /nfs/dbraw/zinc/18/15/80/613181580.db2.gz AQMCTOPNKAYUGQ-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000923563211 613189721 /nfs/dbraw/zinc/18/97/21/613189721.db2.gz KBTVZWNEFHYTAB-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000923563211 613189723 /nfs/dbraw/zinc/18/97/23/613189723.db2.gz KBTVZWNEFHYTAB-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C(N=NC1=[NH+]CCN1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000841659590 613223183 /nfs/dbraw/zinc/22/31/83/613223183.db2.gz ANCLRNABEKPQCW-UHFFFAOYSA-N 2 2 293.415 0.804 20 30 CCEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982677925 613292685 /nfs/dbraw/zinc/29/26/85/613292685.db2.gz AIYVNBDEZSNEBW-IYBDPMFKSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000982677925 613292686 /nfs/dbraw/zinc/29/26/86/613292686.db2.gz AIYVNBDEZSNEBW-IYBDPMFKSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000849325559 613326783 /nfs/dbraw/zinc/32/67/83/613326783.db2.gz LRZHYFKRSOXENA-GFCCVEGCSA-N 2 2 251.374 0.588 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000849325559 613326784 /nfs/dbraw/zinc/32/67/84/613326784.db2.gz LRZHYFKRSOXENA-GFCCVEGCSA-N 2 2 251.374 0.588 20 30 CCEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939209755 613351422 /nfs/dbraw/zinc/35/14/22/613351422.db2.gz ITYFOFHZYHCZMP-AAEUAGOBSA-N 2 2 262.357 0.965 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913455988 613363990 /nfs/dbraw/zinc/36/39/90/613363990.db2.gz KKSPMCXFCCAYKF-AWEZNQCLSA-N 2 2 291.399 0.401 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000876747255 613390013 /nfs/dbraw/zinc/39/00/13/613390013.db2.gz ZKARAJBXVPFPQS-NSHDSACASA-N 2 2 289.807 0.683 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000876747255 613390014 /nfs/dbraw/zinc/39/00/14/613390014.db2.gz ZKARAJBXVPFPQS-NSHDSACASA-N 2 2 289.807 0.683 20 30 CCEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345157 613660624 /nfs/dbraw/zinc/66/06/24/613660624.db2.gz PMAUZSQMSWJFDX-OAHLLOKOSA-N 2 2 292.427 0.095 20 30 CCEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345157 613660625 /nfs/dbraw/zinc/66/06/25/613660625.db2.gz PMAUZSQMSWJFDX-OAHLLOKOSA-N 2 2 292.427 0.095 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865193183 613674285 /nfs/dbraw/zinc/67/42/85/613674285.db2.gz HGXDBWXTYQIIKU-ONEGZZNKSA-N 2 2 293.411 0.641 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977670133 613807004 /nfs/dbraw/zinc/80/70/04/613807004.db2.gz XVRXGWSEDYJRIB-GFCCVEGCSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977670133 613807006 /nfs/dbraw/zinc/80/70/06/613807006.db2.gz XVRXGWSEDYJRIB-GFCCVEGCSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972991433 613827546 /nfs/dbraw/zinc/82/75/46/613827546.db2.gz KOLGLXAGSQDKHZ-STQMWFEESA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972991433 613827548 /nfs/dbraw/zinc/82/75/48/613827548.db2.gz KOLGLXAGSQDKHZ-STQMWFEESA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991433 613827550 /nfs/dbraw/zinc/82/75/50/613827550.db2.gz KOLGLXAGSQDKHZ-STQMWFEESA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991433 613827551 /nfs/dbraw/zinc/82/75/51/613827551.db2.gz KOLGLXAGSQDKHZ-STQMWFEESA-N 2 2 281.400 0.330 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000884248535 613878061 /nfs/dbraw/zinc/87/80/61/613878061.db2.gz TYYFMDWIQPFHON-RVMXOQNASA-N 2 2 295.383 0.019 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000884222395 613878836 /nfs/dbraw/zinc/87/88/36/613878836.db2.gz POKQNMAAYFAOOS-XQQFMLRXSA-N 2 2 297.399 0.422 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884192271 613878859 /nfs/dbraw/zinc/87/88/59/613878859.db2.gz AXBGARDOFQIPQZ-AVGNSLFASA-N 2 2 295.383 0.176 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884192271 613878860 /nfs/dbraw/zinc/87/88/60/613878860.db2.gz AXBGARDOFQIPQZ-AVGNSLFASA-N 2 2 295.383 0.176 20 30 CCEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCC3)C[C@H]21 ZINC000931275941 615998297 /nfs/dbraw/zinc/99/82/97/615998297.db2.gz CKPARXQDBBAHIK-IGQOVBAYSA-N 2 2 263.385 0.923 20 30 CCEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C[C@H]21 ZINC000931275941 615998298 /nfs/dbraw/zinc/99/82/98/615998298.db2.gz CKPARXQDBBAHIK-IGQOVBAYSA-N 2 2 263.385 0.923 20 30 CCEDLP C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H](O)C[NH3+] ZINC000903453861 616164650 /nfs/dbraw/zinc/16/46/50/616164650.db2.gz NWQDASGEPMVGAQ-LBPRGKRZSA-N 2 2 253.733 0.963 20 30 CCEDLP C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H](O)C[NH3+] ZINC000903453861 616164651 /nfs/dbraw/zinc/16/46/51/616164651.db2.gz NWQDASGEPMVGAQ-LBPRGKRZSA-N 2 2 253.733 0.963 20 30 CCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@@H+]2C)c1C#N ZINC000895597584 616948836 /nfs/dbraw/zinc/94/88/36/616948836.db2.gz JGNKKWKCFIPRQP-LBPRGKRZSA-N 2 2 290.371 0.466 20 30 CCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+]2C)c1C#N ZINC000895597584 616948838 /nfs/dbraw/zinc/94/88/38/616948838.db2.gz JGNKKWKCFIPRQP-LBPRGKRZSA-N 2 2 290.371 0.466 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001026410649 625436941 /nfs/dbraw/zinc/43/69/41/625436941.db2.gz MEYGQGXIQCRTAX-MELADBBJSA-N 2 2 286.379 0.720 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001017946436 623638765 /nfs/dbraw/zinc/63/87/65/623638765.db2.gz VUTYKSQCUQNVAI-LVQVYYBASA-N 2 2 289.423 0.883 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001017946436 623638771 /nfs/dbraw/zinc/63/87/71/623638771.db2.gz VUTYKSQCUQNVAI-LVQVYYBASA-N 2 2 289.423 0.883 20 30 CCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001017946436 623638779 /nfs/dbraw/zinc/63/87/79/623638779.db2.gz VUTYKSQCUQNVAI-LVQVYYBASA-N 2 2 289.423 0.883 20 30 CCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001017946436 623638784 /nfs/dbraw/zinc/63/87/84/623638784.db2.gz VUTYKSQCUQNVAI-LVQVYYBASA-N 2 2 289.423 0.883 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC000986356535 632745616 /nfs/dbraw/zinc/74/56/16/632745616.db2.gz SDOXCKRXSHSMGE-YPMHNXCESA-N 2 2 260.341 0.555 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC000986356535 632745619 /nfs/dbraw/zinc/74/56/19/632745619.db2.gz SDOXCKRXSHSMGE-YPMHNXCESA-N 2 2 260.341 0.555 20 30 CCEDLP C=C(C)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787794 633354829 /nfs/dbraw/zinc/35/48/29/633354829.db2.gz WSNOWKFKRWVCEL-UHFFFAOYSA-N 2 2 262.357 0.994 20 30 CCEDLP C=C(C)C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787794 633354832 /nfs/dbraw/zinc/35/48/32/633354832.db2.gz WSNOWKFKRWVCEL-UHFFFAOYSA-N 2 2 262.357 0.994 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996355387 638816589 /nfs/dbraw/zinc/81/65/89/638816589.db2.gz LMPJJSOURWFTDC-LBPRGKRZSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999550309 638985427 /nfs/dbraw/zinc/98/54/27/638985427.db2.gz WDEYBATUDAROBA-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001147 650513223 /nfs/dbraw/zinc/51/32/23/650513223.db2.gz UNUFWUXVNJDUGB-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001147 650513226 /nfs/dbraw/zinc/51/32/26/650513226.db2.gz UNUFWUXVNJDUGB-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP CC#CC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001006292815 640217564 /nfs/dbraw/zinc/21/75/64/640217564.db2.gz USBAEJNRXICICD-UHFFFAOYSA-N 2 2 288.395 0.909 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001015722244 650616955 /nfs/dbraw/zinc/61/69/55/650616955.db2.gz XKVLUAAVPNFEJN-BFHYXJOUSA-N 2 2 286.379 0.737 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001015722244 650616958 /nfs/dbraw/zinc/61/69/58/650616958.db2.gz XKVLUAAVPNFEJN-BFHYXJOUSA-N 2 2 286.379 0.737 20 30 CCEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000834516456 642600113 /nfs/dbraw/zinc/60/01/13/642600113.db2.gz IQSDMMCWMGDOSL-GXTWGEPZSA-N 2 2 281.319 0.714 20 30 CCEDLP Cc1cn2cc(NC(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)ccc2[nH+]1 ZINC000841099976 642803016 /nfs/dbraw/zinc/80/30/16/642803016.db2.gz QXQGBPYJUOURFL-JQWIXIFHSA-N 2 2 284.323 0.876 20 30 CCEDLP Cc1ccc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(N(C)C)[nH+]1 ZINC000841155208 642805840 /nfs/dbraw/zinc/80/58/40/642805840.db2.gz TZRNPTJAJOLUPH-JQWIXIFHSA-N 2 2 288.355 0.689 20 30 CCEDLP N#Cc1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000872146834 646214137 /nfs/dbraw/zinc/21/41/37/646214137.db2.gz YOXSOWZXTVKIOG-ZDUSSCGKSA-N 2 2 271.368 0.685 20 30 CCEDLP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266564818 790937382 /nfs/dbraw/zinc/93/73/82/790937382.db2.gz BYVFTKKXUCDHCH-AWEZNQCLSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266564818 790937393 /nfs/dbraw/zinc/93/73/93/790937393.db2.gz BYVFTKKXUCDHCH-AWEZNQCLSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001041806733 791047883 /nfs/dbraw/zinc/04/78/83/791047883.db2.gz BAWVRPBTPOTXBN-MRXNPFEDSA-N 2 2 286.379 0.818 20 30 CCEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001041806733 791047893 /nfs/dbraw/zinc/04/78/93/791047893.db2.gz BAWVRPBTPOTXBN-MRXNPFEDSA-N 2 2 286.379 0.818 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001277699524 805968856 /nfs/dbraw/zinc/96/88/56/805968856.db2.gz HVCPNOPFQPSHAP-CQSZACIVSA-N 2 2 295.427 0.673 20 30 CCEDLP Cn1c[nH+]cc1N1CC2(C1)C[NH+](Cc1cc(C#N)n(C)c1)C2 ZINC001277765154 806023060 /nfs/dbraw/zinc/02/30/60/806023060.db2.gz BDSPASZOZYPIER-UHFFFAOYSA-N 2 2 296.378 0.952 20 30 CCEDLP C=CC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266811523 791257407 /nfs/dbraw/zinc/25/74/07/791257407.db2.gz PQAMUVIUMUJFTL-LBPRGKRZSA-N 2 2 262.357 0.966 20 30 CCEDLP COCC#CC[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001266958000 791394285 /nfs/dbraw/zinc/39/42/85/791394285.db2.gz CDNHGMGZTHPOCM-CYBMUJFWSA-N 2 2 278.356 0.017 20 30 CCEDLP C=CCN1C(=O)CCC12CC[NH+](C[C@H](C)[NH3+])CC2 ZINC001235522526 806444768 /nfs/dbraw/zinc/44/47/68/806444768.db2.gz YOYDPWSLPSCDME-LBPRGKRZSA-N 2 2 251.374 0.977 20 30 CCEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001121961919 799108281 /nfs/dbraw/zinc/10/82/81/799108281.db2.gz HWXXYQUDLBHCLJ-UHFFFAOYSA-N 2 2 286.379 0.993 20 30 CCEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469186 800983102 /nfs/dbraw/zinc/98/31/02/800983102.db2.gz GGYDAWNQKXDBCF-GFCCVEGCSA-N 2 2 262.357 0.802 20 30 CCEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469186 800983108 /nfs/dbraw/zinc/98/31/08/800983108.db2.gz GGYDAWNQKXDBCF-GFCCVEGCSA-N 2 2 262.357 0.802 20 30 CCEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157287227 801344677 /nfs/dbraw/zinc/34/46/77/801344677.db2.gz JFWLQGCYVIAOCH-GFCCVEGCSA-N 2 2 250.346 0.896 20 30 CCEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157287227 801344685 /nfs/dbraw/zinc/34/46/85/801344685.db2.gz JFWLQGCYVIAOCH-GFCCVEGCSA-N 2 2 250.346 0.896 20 30 CCEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653719 801678606 /nfs/dbraw/zinc/67/86/06/801678606.db2.gz LHJQWRISYWTXOJ-CYBMUJFWSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653719 801678609 /nfs/dbraw/zinc/67/86/09/801678609.db2.gz LHJQWRISYWTXOJ-CYBMUJFWSA-N 2 2 274.368 0.898 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161471938 802159779 /nfs/dbraw/zinc/15/97/79/802159779.db2.gz TXTMRIDNSNPCAL-YPMHNXCESA-N 2 2 285.338 0.669 20 30 CCEDLP N#Cc1cc(Cl)nnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161866975 802234777 /nfs/dbraw/zinc/23/47/77/802234777.db2.gz HXQQLHPLBBVADC-UHFFFAOYSA-N 2 2 280.763 0.837 20 30 CCEDLP C[NH+]1CCC(C#N)(Nc2ncnc3c2C[NH2+]C3)CC1 ZINC001162227569 802293367 /nfs/dbraw/zinc/29/33/67/802293367.db2.gz YUAKSGSSCIRKGX-UHFFFAOYSA-N 2 2 258.329 0.480 20 30 CCEDLP COCC#CC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163043949 802466440 /nfs/dbraw/zinc/46/64/40/802466440.db2.gz DEMNOPLNHAAFKL-UHFFFAOYSA-N 2 2 292.383 0.098 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163050507 802467960 /nfs/dbraw/zinc/46/79/60/802467960.db2.gz JWICXVXYXJGWSC-UHFFFAOYSA-N 2 2 262.357 0.472 20 30 CCEDLP C[Si](C)(C)C#C[NH2+]Cc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001163116773 802486067 /nfs/dbraw/zinc/48/60/67/802486067.db2.gz YNRBSQACENRSEL-UHFFFAOYSA-N 2 2 290.443 0.665 20 30 CCEDLP C#CC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164350535 802727723 /nfs/dbraw/zinc/72/77/23/802727723.db2.gz GBEKGVJLDYZYPE-UHFFFAOYSA-N 2 2 274.368 0.852 20 30 CCEDLP Cc1[nH+]c2c(n1-c1cnc(C#N)cn1)CC[NH2+]CC2 ZINC001165352612 802826258 /nfs/dbraw/zinc/82/62/58/802826258.db2.gz YCYYWRKYRIWPOA-UHFFFAOYSA-N 2 2 254.297 0.531 20 30 CCEDLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402282763 803818688 /nfs/dbraw/zinc/81/86/88/803818688.db2.gz VCGIISHVQZIVTQ-DGCLKSJQSA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402282763 803818697 /nfs/dbraw/zinc/81/86/97/803818697.db2.gz VCGIISHVQZIVTQ-DGCLKSJQSA-N 2 2 263.341 0.577 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216986864 803862326 /nfs/dbraw/zinc/86/23/26/803862326.db2.gz CKQPASANFNEPKK-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP Cc1ncc(C#N)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218658795 804068399 /nfs/dbraw/zinc/06/83/99/804068399.db2.gz IHHMRWIANPGGMQ-UHFFFAOYSA-N 2 2 273.340 0.542 20 30 CCEDLP N#Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c2cccnc12 ZINC001219467164 804323363 /nfs/dbraw/zinc/32/33/63/804323363.db2.gz DSVATQNPALCUJX-NSHDSACASA-N 2 2 269.308 0.721 20 30 CCEDLP C#CCC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224957781 805095634 /nfs/dbraw/zinc/09/56/34/805095634.db2.gz MZGFWDWHHOYXEI-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CCC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225168290 805111992 /nfs/dbraw/zinc/11/19/92/805111992.db2.gz SRJHEZGQKBCGQC-UHFFFAOYSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc[nH+]c2N)C1 ZINC001248681032 807520050 /nfs/dbraw/zinc/52/00/50/807520050.db2.gz AFRZRHMBOQGGOO-CYBMUJFWSA-N 2 2 287.367 0.561 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc[nH+]c2N)C1 ZINC001248681032 807520054 /nfs/dbraw/zinc/52/00/54/807520054.db2.gz AFRZRHMBOQGGOO-CYBMUJFWSA-N 2 2 287.367 0.561 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042756438 815134405 /nfs/dbraw/zinc/13/44/05/815134405.db2.gz PWGXCLQCVQVMBU-HIFRSBDPSA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042756438 815134408 /nfs/dbraw/zinc/13/44/08/815134408.db2.gz PWGXCLQCVQVMBU-HIFRSBDPSA-N 2 2 293.411 0.568 20 30 CCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001251821551 807709243 /nfs/dbraw/zinc/70/92/43/807709243.db2.gz RFWMCYUCTIPKHR-HNNXBMFYSA-N 2 2 266.385 0.557 20 30 CCEDLP C#CCOC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001251880717 807731090 /nfs/dbraw/zinc/73/10/90/807731090.db2.gz FRLVKGVCZAOSPY-MRXNPFEDSA-N 2 2 285.347 0.973 20 30 CCEDLP C[C@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC001261504970 809002421 /nfs/dbraw/zinc/00/24/21/809002421.db2.gz VQMNHWPUNWHZDV-GFCCVEGCSA-N 2 2 275.356 0.938 20 30 CCEDLP C[C@H](C#N)CN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262592247 809363862 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C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107817584 818030828 /nfs/dbraw/zinc/03/08/28/818030828.db2.gz UMBVLZYYKARHGR-HOCLYGCPSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034548790 819241082 /nfs/dbraw/zinc/24/10/82/819241082.db2.gz GNQNFEFHXFBIFS-CQSZACIVSA-N 2 2 274.368 0.877 20 30 CCEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034548790 819241088 /nfs/dbraw/zinc/24/10/88/819241088.db2.gz GNQNFEFHXFBIFS-CQSZACIVSA-N 2 2 274.368 0.877 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035604810 819573868 /nfs/dbraw/zinc/57/38/68/819573868.db2.gz OXTVPWLWOQBPGI-KGLIPLIRSA-N 2 2 281.400 0.331 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035604810 819573873 /nfs/dbraw/zinc/57/38/73/819573873.db2.gz OXTVPWLWOQBPGI-KGLIPLIRSA-N 2 2 281.400 0.331 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035604810 819573879 /nfs/dbraw/zinc/57/38/79/819573879.db2.gz OXTVPWLWOQBPGI-KGLIPLIRSA-N 2 2 281.400 0.331 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035604810 819573884 /nfs/dbraw/zinc/57/38/84/819573884.db2.gz OXTVPWLWOQBPGI-KGLIPLIRSA-N 2 2 281.400 0.331 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001036276119 819723043 /nfs/dbraw/zinc/72/30/43/819723043.db2.gz NHLIFWJMVRQMCQ-ZFWWWQNUSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080946450 820659164 /nfs/dbraw/zinc/65/91/64/820659164.db2.gz DQYBVFHTLBCUNB-DGCLKSJQSA-N 2 2 260.341 0.261 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001080946450 820659170 /nfs/dbraw/zinc/65/91/70/820659170.db2.gz DQYBVFHTLBCUNB-DGCLKSJQSA-N 2 2 260.341 0.261 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370029 820949037 /nfs/dbraw/zinc/94/90/37/820949037.db2.gz OQALMYIEMVIYFN-ZIAGYGMSSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001082370029 820949039 /nfs/dbraw/zinc/94/90/39/820949039.db2.gz OQALMYIEMVIYFN-ZIAGYGMSSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085529969 821769208 /nfs/dbraw/zinc/76/92/08/821769208.db2.gz MGHBUWYBLOGUKA-STQMWFEESA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085529969 821769211 /nfs/dbraw/zinc/76/92/11/821769211.db2.gz MGHBUWYBLOGUKA-STQMWFEESA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085529969 821769213 /nfs/dbraw/zinc/76/92/13/821769213.db2.gz MGHBUWYBLOGUKA-STQMWFEESA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085529969 821769217 /nfs/dbraw/zinc/76/92/17/821769217.db2.gz MGHBUWYBLOGUKA-STQMWFEESA-N 2 2 267.373 0.036 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531061 821772667 /nfs/dbraw/zinc/77/26/67/821772667.db2.gz LSHUAIKQIADBKF-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531061 821772672 /nfs/dbraw/zinc/77/26/72/821772672.db2.gz LSHUAIKQIADBKF-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531061 821772677 /nfs/dbraw/zinc/77/26/77/821772677.db2.gz LSHUAIKQIADBKF-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531061 821772684 /nfs/dbraw/zinc/77/26/84/821772684.db2.gz LSHUAIKQIADBKF-ZIAGYGMSSA-N 2 2 281.400 0.426 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC=C ZINC001085647032 821875600 /nfs/dbraw/zinc/87/56/00/821875600.db2.gz ACCMJLQQKNVGQU-GJZGRUSLSA-N 2 2 275.396 0.803 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC=C ZINC001085647032 821875609 /nfs/dbraw/zinc/87/56/09/821875609.db2.gz ACCMJLQQKNVGQU-GJZGRUSLSA-N 2 2 275.396 0.803 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC=C ZINC001085647032 821875619 /nfs/dbraw/zinc/87/56/19/821875619.db2.gz ACCMJLQQKNVGQU-GJZGRUSLSA-N 2 2 275.396 0.803 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC=C ZINC001085647032 821875629 /nfs/dbraw/zinc/87/56/29/821875629.db2.gz ACCMJLQQKNVGQU-GJZGRUSLSA-N 2 2 275.396 0.803 20 30 CCEDLP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085670075 821885391 /nfs/dbraw/zinc/88/53/91/821885391.db2.gz NXWFGVZKLFVQNU-MGPQQGTHSA-N 2 2 281.400 0.424 20 30 CCEDLP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085670075 821885398 /nfs/dbraw/zinc/88/53/98/821885398.db2.gz NXWFGVZKLFVQNU-MGPQQGTHSA-N 2 2 281.400 0.424 20 30 CCEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670075 821885404 /nfs/dbraw/zinc/88/54/04/821885404.db2.gz NXWFGVZKLFVQNU-MGPQQGTHSA-N 2 2 281.400 0.424 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670075 821885410 /nfs/dbraw/zinc/88/54/10/821885410.db2.gz NXWFGVZKLFVQNU-MGPQQGTHSA-N 2 2 281.400 0.424 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001085985610 822056398 /nfs/dbraw/zinc/05/63/98/822056398.db2.gz IGWAICPNKLGNDN-MRXNPFEDSA-N 2 2 287.407 0.498 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001085985610 822056407 /nfs/dbraw/zinc/05/64/07/822056407.db2.gz IGWAICPNKLGNDN-MRXNPFEDSA-N 2 2 287.407 0.498 20 30 CCEDLP C=C(Cl)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130653361 837880179 /nfs/dbraw/zinc/88/01/79/837880179.db2.gz IOGROUIRYXLJIA-UHFFFAOYSA-N 2 2 286.763 0.808 20 30 CCEDLP C=CCOCC[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130176549 837711029 /nfs/dbraw/zinc/71/10/29/837711029.db2.gz UDKYKHRTIRCCMG-UHFFFAOYSA-N 2 2 293.367 0.541 20 30 CCEDLP C=CC[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130163076 837708756 /nfs/dbraw/zinc/70/87/56/837708756.db2.gz PERQMEXEKBGUQX-UHFFFAOYSA-N 2 2 250.346 0.818 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487016 837807420 /nfs/dbraw/zinc/80/74/20/837807420.db2.gz BCMMMKSYMLWODP-GFCCVEGCSA-N 2 2 260.341 0.175 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001108421767 836067053 /nfs/dbraw/zinc/06/70/53/836067053.db2.gz VXHLOFWFETVUCK-HNNXBMFYSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108421767 836067065 /nfs/dbraw/zinc/06/70/65/836067065.db2.gz VXHLOFWFETVUCK-HNNXBMFYSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421767 836067077 /nfs/dbraw/zinc/06/70/77/836067077.db2.gz VXHLOFWFETVUCK-HNNXBMFYSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421767 836067089 /nfs/dbraw/zinc/06/70/89/836067089.db2.gz VXHLOFWFETVUCK-HNNXBMFYSA-N 2 2 283.416 0.720 20 30 CCEDLP N#Cc1cc2cccnc2nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072313 836125659 /nfs/dbraw/zinc/12/56/59/836125659.db2.gz MJAKPQWBEURAFV-GFCCVEGCSA-N 2 2 294.318 0.549 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001112911860 836962920 /nfs/dbraw/zinc/96/29/20/836962920.db2.gz ZIXYMSAEYTZYBY-CQSZACIVSA-N 2 2 283.391 0.834 20 30 CCEDLP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001113658455 837189494 /nfs/dbraw/zinc/18/94/94/837189494.db2.gz WGFPVORKWFNVHG-OAHLLOKOSA-N 2 2 295.427 0.818 20 30 CCEDLP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001113658455 837189499 /nfs/dbraw/zinc/18/94/99/837189499.db2.gz WGFPVORKWFNVHG-OAHLLOKOSA-N 2 2 295.427 0.818 20 30 CCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710230 844275776 /nfs/dbraw/zinc/27/57/76/844275776.db2.gz WWSICNDGTZKSCG-CQSZACIVSA-N 2 2 290.367 0.114 20 30 CCEDLP C=CCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131824500 838233846 /nfs/dbraw/zinc/23/38/46/838233846.db2.gz CBSFLRMOYSEYEZ-OAHLLOKOSA-N 2 2 295.427 0.769 20 30 CCEDLP C=CCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131824500 838233852 /nfs/dbraw/zinc/23/38/52/838233852.db2.gz CBSFLRMOYSEYEZ-OAHLLOKOSA-N 2 2 295.427 0.769 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001133242966 838582930 /nfs/dbraw/zinc/58/29/30/838582930.db2.gz ZHGRIBZGLWIMIO-UONOGXRCSA-N 2 2 288.395 0.670 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185202588 844362857 /nfs/dbraw/zinc/36/28/57/844362857.db2.gz ADLTUPMRZZIRMB-STQMWFEESA-N 2 2 274.368 0.660 20 30 CCEDLP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135581328 839308680 /nfs/dbraw/zinc/30/86/80/839308680.db2.gz WSAPRENUVSKWHJ-QWHCGFSZSA-N 2 2 292.383 0.475 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246308619 839782219 /nfs/dbraw/zinc/78/22/19/839782219.db2.gz RNHUKDQSGYNPKM-STQMWFEESA-N 3 2 269.389 0.555 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCCNC1 ZINC001246308619 839782221 /nfs/dbraw/zinc/78/22/21/839782221.db2.gz RNHUKDQSGYNPKM-STQMWFEESA-N 2 2 269.389 0.555 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090764285 839784958 /nfs/dbraw/zinc/78/49/58/839784958.db2.gz QVKMUVFMBBYZSD-GXTWGEPZSA-N 2 2 292.383 0.388 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090764285 839784966 /nfs/dbraw/zinc/78/49/66/839784966.db2.gz QVKMUVFMBBYZSD-GXTWGEPZSA-N 2 2 292.383 0.388 20 30 CCEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772204 840361751 /nfs/dbraw/zinc/36/17/51/840361751.db2.gz SLVKCYOHVWOAEV-STQMWFEESA-N 2 2 262.357 0.779 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001095240880 842123729 /nfs/dbraw/zinc/12/37/29/842123729.db2.gz IEKYLMWWOWICIQ-RFGFWPKPSA-N 2 2 263.385 0.988 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001095240880 842123737 /nfs/dbraw/zinc/12/37/37/842123737.db2.gz IEKYLMWWOWICIQ-RFGFWPKPSA-N 2 2 263.385 0.988 20 30 CCEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001095240880 842123746 /nfs/dbraw/zinc/12/37/46/842123746.db2.gz IEKYLMWWOWICIQ-RFGFWPKPSA-N 2 2 263.385 0.988 20 30 CCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001095242192 842123886 /nfs/dbraw/zinc/12/38/86/842123886.db2.gz IAPHBTVZHKZFKV-QPSCCSFWSA-N 2 2 275.396 0.825 20 30 CCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001095242192 842123890 /nfs/dbraw/zinc/12/38/90/842123890.db2.gz IAPHBTVZHKZFKV-QPSCCSFWSA-N 2 2 275.396 0.825 20 30 CCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001095242192 842123897 /nfs/dbraw/zinc/12/38/97/842123897.db2.gz IAPHBTVZHKZFKV-QPSCCSFWSA-N 2 2 275.396 0.825 20 30 CCEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881392 842288931 /nfs/dbraw/zinc/28/89/31/842288931.db2.gz PBQIFNQCMMQICB-LBPRGKRZSA-N 2 2 262.357 0.850 20 30 CCEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176828871 842415255 /nfs/dbraw/zinc/41/52/55/842415255.db2.gz GHNYNEPMNZLSPU-ZDUSSCGKSA-N 2 2 262.357 0.781 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192581008 845878117 /nfs/dbraw/zinc/87/81/17/845878117.db2.gz QILOXAMLFUPPIW-VXGBXAGGSA-N 2 2 278.356 0.080 20 30 CCEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448441 846302085 /nfs/dbraw/zinc/30/20/85/846302085.db2.gz FUBYJOXCDBZZPN-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448441 846302092 /nfs/dbraw/zinc/30/20/92/846302092.db2.gz FUBYJOXCDBZZPN-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194910169 846416215 /nfs/dbraw/zinc/41/62/15/846416215.db2.gz YUEQFLDIWVUAEN-CHWSQXEVSA-N 2 2 292.383 0.090 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194910169 846416220 /nfs/dbraw/zinc/41/62/20/846416220.db2.gz YUEQFLDIWVUAEN-CHWSQXEVSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000717434300 848261137 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C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001095265610 899938638 /nfs/dbraw/zinc/93/86/38/899938638.db2.gz IGHNNCABWUDIDM-CBBWQLFWSA-N 2 2 293.411 0.615 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001488762762 900369811 /nfs/dbraw/zinc/36/98/11/900369811.db2.gz YIMDKZFVSBRZGJ-OKILXGFUSA-N 2 2 274.368 0.781 20 30 CCEDLP COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001490800528 900766136 /nfs/dbraw/zinc/76/61/36/900766136.db2.gz PLEYWGPLGPUJEH-GASCZTMLSA-N 2 2 293.411 0.263 20 30 CCEDLP COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001490800528 900766145 /nfs/dbraw/zinc/76/61/45/900766145.db2.gz PLEYWGPLGPUJEH-GASCZTMLSA-N 2 2 293.411 0.263 20 30 CCEDLP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001491507328 903628628 /nfs/dbraw/zinc/62/86/28/903628628.db2.gz IUCTVTITTAVHQY-NEPJUHHUSA-N 2 2 262.357 0.726 20 30 CCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216392474 903859211 /nfs/dbraw/zinc/85/92/11/903859211.db2.gz FSOKVSVQSKWHFE-TZMCWYRMSA-N 2 2 276.384 0.975 20 30 CCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001492110705 907706400 /nfs/dbraw/zinc/70/64/00/907706400.db2.gz OQLAKJDJJQPMAH-CYBMUJFWSA-N 2 2 292.383 0.097 20 30 CCEDLP C=C(C)C[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001317467526 908272674 /nfs/dbraw/zinc/27/26/74/908272674.db2.gz VERHWJNJLAOQLL-UHFFFAOYSA-N 2 2 250.346 0.587 20 30 CCEDLP C=C(C)C[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001317467526 908272696 /nfs/dbraw/zinc/27/26/96/908272696.db2.gz VERHWJNJLAOQLL-UHFFFAOYSA-N 2 2 250.346 0.587 20 30 CCEDLP C=CC[N@H+](CC)CCNC(=O)CCc1c[nH+]cn1C ZINC001317492636 908505687 /nfs/dbraw/zinc/50/56/87/908505687.db2.gz MLYXGZCEBMWQCZ-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP C=CC[N@@H+](CC)CCNC(=O)CCc1c[nH+]cn1C ZINC001317492636 908505699 /nfs/dbraw/zinc/50/56/99/908505699.db2.gz MLYXGZCEBMWQCZ-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP C#CCC[NH2+][C@H](CNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001317023001 908925703 /nfs/dbraw/zinc/92/57/03/908925703.db2.gz WNHDMCDWGHKMSC-CQSZACIVSA-N 2 2 288.395 0.860 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317162107 909020897 /nfs/dbraw/zinc/02/08/97/909020897.db2.gz LNJQBMQRZNRSLZ-ZDUSSCGKSA-N 2 2 274.368 0.722 20 30 CCEDLP C=C(C)C[NH+]1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001318138445 909641255 /nfs/dbraw/zinc/64/12/55/909641255.db2.gz HNQHYNUZCKWXAL-UHFFFAOYSA-N 2 2 276.384 0.977 20 30 CCEDLP C#CCC[NH2+][C@H](CC)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001318531040 909802217 /nfs/dbraw/zinc/80/22/17/909802217.db2.gz SBBSBDOEKJQLQT-GFCCVEGCSA-N 2 2 262.357 0.850 20 30 CCEDLP C#CCC[NH2+][C@H](CC)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001318531040 909802234 /nfs/dbraw/zinc/80/22/34/909802234.db2.gz SBBSBDOEKJQLQT-GFCCVEGCSA-N 2 2 262.357 0.850 20 30 CCEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001331346561 917278425 /nfs/dbraw/zinc/27/84/25/917278425.db2.gz JYADINYBKJITBB-CQSZACIVSA-N 2 2 274.368 0.720 20 30 CCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001331942336 917739190 /nfs/dbraw/zinc/73/91/90/917739190.db2.gz AXRKKGTVRZQQRH-ZIAGYGMSSA-N 2 2 292.383 0.665 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001332048409 917823182 /nfs/dbraw/zinc/82/31/82/917823182.db2.gz MENOSJYHBMLGCY-AAEUAGOBSA-N 2 2 274.368 0.863 20 30 CCEDLP C=CCO[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC001332839303 918472213 /nfs/dbraw/zinc/47/22/13/918472213.db2.gz BMYIHWNSQQTNAT-ZIAGYGMSSA-N 2 2 272.389 0.202 20 30 CCEDLP C=CCO[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC001332839303 918472223 /nfs/dbraw/zinc/47/22/23/918472223.db2.gz BMYIHWNSQQTNAT-ZIAGYGMSSA-N 2 2 272.389 0.202 20 30 CCEDLP C=CCO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC001332839303 918472232 /nfs/dbraw/zinc/47/22/32/918472232.db2.gz BMYIHWNSQQTNAT-ZIAGYGMSSA-N 2 2 272.389 0.202 20 30 CCEDLP C=CCO[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC001332839303 918472242 /nfs/dbraw/zinc/47/22/42/918472242.db2.gz BMYIHWNSQQTNAT-ZIAGYGMSSA-N 2 2 272.389 0.202 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC001335411911 920181200 /nfs/dbraw/zinc/18/12/00/920181200.db2.gz KJZDXBKYLLXFED-OAHLLOKOSA-N 2 2 259.353 0.802 20 30 CCEDLP C#CC[NH2+]CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001340150154 921982031 /nfs/dbraw/zinc/98/20/31/921982031.db2.gz HFUOBJYDSZGXCT-UHFFFAOYSA-N 2 2 282.347 0.770 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001340217187 922012216 /nfs/dbraw/zinc/01/22/16/922012216.db2.gz FXGZFRQYZSQHKV-JTQLQIEISA-N 2 2 261.316 0.736 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001340217188 922012512 /nfs/dbraw/zinc/01/25/12/922012512.db2.gz FXGZFRQYZSQHKV-SNVBAGLBSA-N 2 2 261.316 0.736 20 30 CCEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001448644774 930936134 /nfs/dbraw/zinc/93/61/34/930936134.db2.gz ZAURJYBZQAUWHX-NEPJUHHUSA-N 2 2 289.807 0.506 20 30 CCEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001448644774 930936144 /nfs/dbraw/zinc/93/61/44/930936144.db2.gz ZAURJYBZQAUWHX-NEPJUHHUSA-N 2 2 289.807 0.506 20 30 CCEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577562 349738721 /nfs/dbraw/zinc/73/87/21/349738721.db2.gz PYGQKDYWUORGAG-SCRDCRAPSA-N 2 2 264.373 0.192 20 30 CCEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577562 349738724 /nfs/dbraw/zinc/73/87/24/349738724.db2.gz PYGQKDYWUORGAG-SCRDCRAPSA-N 2 2 264.373 0.192 20 30 CCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600724186 362045458 /nfs/dbraw/zinc/04/54/58/362045458.db2.gz FXSWSNUWHXSJHU-UONOGXRCSA-N 2 2 281.400 0.742 20 30 CCEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600724186 362045462 /nfs/dbraw/zinc/04/54/62/362045462.db2.gz FXSWSNUWHXSJHU-UONOGXRCSA-N 2 2 281.400 0.742 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600724188 362046077 /nfs/dbraw/zinc/04/60/77/362046077.db2.gz FXSWSNUWHXSJHU-ZIAGYGMSSA-N 2 2 281.400 0.742 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600724188 362046080 /nfs/dbraw/zinc/04/60/80/362046080.db2.gz FXSWSNUWHXSJHU-ZIAGYGMSSA-N 2 2 281.400 0.742 20 30 CCEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600724268 362046159 /nfs/dbraw/zinc/04/61/59/362046159.db2.gz YOAKUEBYNVMFDR-KBPBESRZSA-N 2 2 281.400 0.742 20 30 CCEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600724268 362046165 /nfs/dbraw/zinc/04/61/65/362046165.db2.gz YOAKUEBYNVMFDR-KBPBESRZSA-N 2 2 281.400 0.742 20 30 CCEDLP N#Cc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000600769268 362058325 /nfs/dbraw/zinc/05/83/25/362058325.db2.gz LATMUXGITZWKIX-LBPRGKRZSA-N 2 2 260.341 0.631 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+](CCC)CCC)CC1 ZINC000081648746 349278366 /nfs/dbraw/zinc/27/83/66/349278366.db2.gz MTQDTXWLRYHRAI-UHFFFAOYSA-N 2 2 265.401 0.886 20 30 CCEDLP Cc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000556947853 291018011 /nfs/dbraw/zinc/01/80/11/291018011.db2.gz XFMRXPZKIWRVJP-CYBMUJFWSA-N 2 2 287.367 0.973 20 30 CCEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436361 360304631 /nfs/dbraw/zinc/30/46/31/360304631.db2.gz DGIDRUNMBRWRKO-OLZOCXBDSA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436361 360304633 /nfs/dbraw/zinc/30/46/33/360304633.db2.gz DGIDRUNMBRWRKO-OLZOCXBDSA-N 2 2 282.388 0.235 20 30 CCEDLP C=CCCn1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nn1 ZINC000655941137 412708475 /nfs/dbraw/zinc/70/84/75/412708475.db2.gz MVZWFVIHQMNKCJ-OAHLLOKOSA-N 2 2 290.415 0.334 20 30 CCEDLP C=CCCn1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nn1 ZINC000655941137 412708481 /nfs/dbraw/zinc/70/84/81/412708481.db2.gz MVZWFVIHQMNKCJ-OAHLLOKOSA-N 2 2 290.415 0.334 20 30 CCEDLP C=CCN(CC=C)C(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869913 370729749 /nfs/dbraw/zinc/72/97/49/370729749.db2.gz ZCDKVEJKNJSMLW-HIFRSBDPSA-N 2 2 263.385 0.919 20 30 CCEDLP C[N@H+](C[C@@H](O)C[NH2+]CCOc1ccc(C#N)cc1)C1CC1 ZINC000564855450 291307619 /nfs/dbraw/zinc/30/76/19/291307619.db2.gz XOCZEWFTZXBLJV-HNNXBMFYSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@@H+](C[C@@H](O)C[NH2+]CCOc1ccc(C#N)cc1)C1CC1 ZINC000564855450 291307621 /nfs/dbraw/zinc/30/76/21/291307621.db2.gz XOCZEWFTZXBLJV-HNNXBMFYSA-N 2 2 289.379 0.982 20 30 CCEDLP C=C[C@@H](O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381574 365299052 /nfs/dbraw/zinc/29/90/52/365299052.db2.gz UWEFUPJUHIOCLS-OAHLLOKOSA-N 2 2 295.427 0.552 20 30 CCEDLP C=C[C@@H](O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381574 365299055 /nfs/dbraw/zinc/29/90/55/365299055.db2.gz UWEFUPJUHIOCLS-OAHLLOKOSA-N 2 2 295.427 0.552 20 30 CCEDLP C=CCCn1cc(C[NH2+]CCc2c[nH+]cn2C)nn1 ZINC000623085766 367445585 /nfs/dbraw/zinc/44/55/85/367445585.db2.gz DDRAXYPWNIVBIR-UHFFFAOYSA-N 2 2 260.345 0.920 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596043 369733347 /nfs/dbraw/zinc/73/33/47/369733347.db2.gz QOOQMKMDWBDESQ-BNOWGMLFSA-N 2 2 251.374 0.609 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596043 369733354 /nfs/dbraw/zinc/73/33/54/369733354.db2.gz QOOQMKMDWBDESQ-BNOWGMLFSA-N 2 2 251.374 0.609 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639762119 375988437 /nfs/dbraw/zinc/98/84/37/375988437.db2.gz GMFZUQWYPQAPNB-DZGCQCFKSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639762119 375988443 /nfs/dbraw/zinc/98/84/43/375988443.db2.gz GMFZUQWYPQAPNB-DZGCQCFKSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCOCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000339003738 389120744 /nfs/dbraw/zinc/12/07/44/389120744.db2.gz XSTKHIMSUGCMOB-UHFFFAOYSA-N 2 2 256.390 0.968 20 30 CCEDLP C=CCOCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000339003738 389120746 /nfs/dbraw/zinc/12/07/46/389120746.db2.gz XSTKHIMSUGCMOB-UHFFFAOYSA-N 2 2 256.390 0.968 20 30 CCEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246317845 389227405 /nfs/dbraw/zinc/22/74/05/389227405.db2.gz FECXHQYRJWTBQK-KBPBESRZSA-N 2 2 280.416 0.878 20 30 CCEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246317845 389227408 /nfs/dbraw/zinc/22/74/08/389227408.db2.gz FECXHQYRJWTBQK-KBPBESRZSA-N 2 2 280.416 0.878 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158502981 389344177 /nfs/dbraw/zinc/34/41/77/389344177.db2.gz DRCKCNNXAQKYDP-STQMWFEESA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158502981 389344182 /nfs/dbraw/zinc/34/41/82/389344182.db2.gz DRCKCNNXAQKYDP-STQMWFEESA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158502981 389344185 /nfs/dbraw/zinc/34/41/85/389344185.db2.gz DRCKCNNXAQKYDP-STQMWFEESA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158502981 389344189 /nfs/dbraw/zinc/34/41/89/389344189.db2.gz DRCKCNNXAQKYDP-STQMWFEESA-N 2 2 251.374 0.705 20 30 CCEDLP COC[C@H](C)NC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000264084339 389305688 /nfs/dbraw/zinc/30/56/88/389305688.db2.gz JFDAFCQGPRBTMU-NSHDSACASA-N 2 2 275.356 0.816 20 30 CCEDLP CN(C(=O)CC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372322354 389448682 /nfs/dbraw/zinc/44/86/82/389448682.db2.gz XHYLJIZVVUECQJ-ZDUSSCGKSA-N 2 2 264.373 0.527 20 30 CCEDLP CN(C(=O)CC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372322354 389448683 /nfs/dbraw/zinc/44/86/83/389448683.db2.gz XHYLJIZVVUECQJ-ZDUSSCGKSA-N 2 2 264.373 0.527 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181096810 389681383 /nfs/dbraw/zinc/68/13/83/389681383.db2.gz ILZDGNVXUWZJDM-UHFFFAOYSA-N 2 2 279.344 0.217 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181096810 389681387 /nfs/dbraw/zinc/68/13/87/389681387.db2.gz ILZDGNVXUWZJDM-UHFFFAOYSA-N 2 2 279.344 0.217 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC2(C)C)CC1 ZINC000491385379 390112820 /nfs/dbraw/zinc/11/28/20/390112820.db2.gz RHYDBGITNGGLPG-ZDUSSCGKSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OC(C)C)C2)CC1 ZINC000491439753 390113431 /nfs/dbraw/zinc/11/34/31/390113431.db2.gz LPXMHUASMNYRDL-OAHLLOKOSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OC(C)C)C2)CC1 ZINC000491439753 390113432 /nfs/dbraw/zinc/11/34/32/390113432.db2.gz LPXMHUASMNYRDL-OAHLLOKOSA-N 2 2 293.411 0.263 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000649391219 390615782 /nfs/dbraw/zinc/61/57/82/390615782.db2.gz VUERZBWMDFCMGY-LBPRGKRZSA-N 2 2 250.346 0.479 20 30 CCEDLP C[NH+]1CCN(c2ncccc2C[NH2+]CCC#N)CC1 ZINC000575116554 335067596 /nfs/dbraw/zinc/06/75/96/335067596.db2.gz DRRQBDVPALJMJY-UHFFFAOYSA-N 2 2 259.357 0.837 20 30 CCEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000552096569 286152567 /nfs/dbraw/zinc/15/25/67/286152567.db2.gz FLWXIJFSLMXLBA-ZYHUDNBSSA-N 2 2 260.345 0.222 20 30 CCEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000552096569 286152569 /nfs/dbraw/zinc/15/25/69/286152569.db2.gz FLWXIJFSLMXLBA-ZYHUDNBSSA-N 2 2 260.345 0.222 20 30 CCEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000662165469 414694773 /nfs/dbraw/zinc/69/47/73/414694773.db2.gz HLVMTWZENXVOHC-HUUCEWRRSA-N 2 2 264.369 0.616 20 30 CCEDLP C=C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000662165469 414694774 /nfs/dbraw/zinc/69/47/74/414694774.db2.gz HLVMTWZENXVOHC-HUUCEWRRSA-N 2 2 264.369 0.616 20 30 CCEDLP CC(C)[N@H+](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162518198 262330856 /nfs/dbraw/zinc/33/08/56/262330856.db2.gz JCYBNJDNJODHNI-UHFFFAOYSA-N 2 2 296.415 0.401 20 30 CCEDLP CC(C)[N@@H+](C)CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000162518198 262330857 /nfs/dbraw/zinc/33/08/57/262330857.db2.gz JCYBNJDNJODHNI-UHFFFAOYSA-N 2 2 296.415 0.401 20 30 CCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC#N ZINC000331125379 264132457 /nfs/dbraw/zinc/13/24/57/264132457.db2.gz DABLHKPSDNHSCJ-UHFFFAOYSA-N 2 2 281.404 0.772 20 30 CCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCC#N ZINC000331125379 264132459 /nfs/dbraw/zinc/13/24/59/264132459.db2.gz DABLHKPSDNHSCJ-UHFFFAOYSA-N 2 2 281.404 0.772 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371293268 267383874 /nfs/dbraw/zinc/38/38/74/267383874.db2.gz GDZJMIFRUVPIMD-MGPQQGTHSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371293268 267383877 /nfs/dbraw/zinc/38/38/77/267383877.db2.gz GDZJMIFRUVPIMD-MGPQQGTHSA-N 2 2 281.400 0.472 20 30 CCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000329792956 276167958 /nfs/dbraw/zinc/16/79/58/276167958.db2.gz AOMLPIDNYAZVMM-ZIAGYGMSSA-N 2 2 297.447 0.220 20 30 CCEDLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000329792956 276167959 /nfs/dbraw/zinc/16/79/59/276167959.db2.gz AOMLPIDNYAZVMM-ZIAGYGMSSA-N 2 2 297.447 0.220 20 30 CCEDLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329792956 276167960 /nfs/dbraw/zinc/16/79/60/276167960.db2.gz AOMLPIDNYAZVMM-ZIAGYGMSSA-N 2 2 297.447 0.220 20 30 CCEDLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329792956 276167961 /nfs/dbraw/zinc/16/79/61/276167961.db2.gz AOMLPIDNYAZVMM-ZIAGYGMSSA-N 2 2 297.447 0.220 20 30 CCEDLP C=CCCOCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000564849712 327014419 /nfs/dbraw/zinc/01/44/19/327014419.db2.gz OIUBDMBAOKUASF-KKUMJFAQSA-N 2 2 286.416 0.639 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261632087 329973705 /nfs/dbraw/zinc/97/37/05/329973705.db2.gz CLTDKPMIYISVQS-VXGBXAGGSA-N 2 2 268.405 0.671 20 30 CCEDLP [NH2+]=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)NC1CC1 ZINC000261876225 329987534 /nfs/dbraw/zinc/98/75/34/329987534.db2.gz PYCAOKUXXNMIAA-ZDUSSCGKSA-N 2 2 284.429 0.261 20 30 CCEDLP C[C@H]1CN(C(=[NH2+])NCC(C)(C)[NH+]2CCOCC2)CCO1 ZINC000262423331 330009438 /nfs/dbraw/zinc/00/94/38/330009438.db2.gz BTTOUZDZIVNDFI-LBPRGKRZSA-N 2 2 284.404 0.133 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C(C)C)CC1 ZINC000490742489 332112281 /nfs/dbraw/zinc/11/22/81/332112281.db2.gz YGDIDYDTYLJMIZ-OAHLLOKOSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C(C)C)CC1 ZINC000490742489 332112283 /nfs/dbraw/zinc/11/22/83/332112283.db2.gz YGDIDYDTYLJMIZ-OAHLLOKOSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000490891779 332125320 /nfs/dbraw/zinc/12/53/20/332125320.db2.gz HFQVMJROLBHHDG-RYUDHWBXSA-N 2 2 260.341 0.347 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000490891779 332125321 /nfs/dbraw/zinc/12/53/21/332125321.db2.gz HFQVMJROLBHHDG-RYUDHWBXSA-N 2 2 260.341 0.347 20 30 CCEDLP C#C[C@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000491657547 332268736 /nfs/dbraw/zinc/26/87/36/332268736.db2.gz GLLUPCHLKWLTEN-GJZGRUSLSA-N 2 2 295.427 0.413 20 30 CCEDLP C#C[C@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000491657547 332268737 /nfs/dbraw/zinc/26/87/37/332268737.db2.gz GLLUPCHLKWLTEN-GJZGRUSLSA-N 2 2 295.427 0.413 20 30 CCEDLP C#C[C@H](C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000491657547 332268738 /nfs/dbraw/zinc/26/87/38/332268738.db2.gz GLLUPCHLKWLTEN-GJZGRUSLSA-N 2 2 295.427 0.413 20 30 CCEDLP C#C[C@H](C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000491657547 332268739 /nfs/dbraw/zinc/26/87/39/332268739.db2.gz GLLUPCHLKWLTEN-GJZGRUSLSA-N 2 2 295.427 0.413 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000491683472 332285917 /nfs/dbraw/zinc/28/59/17/332285917.db2.gz ZCDYVKKBKWHBRR-UHFFFAOYSA-N 2 2 295.427 0.605 20 30 CCEDLP C#C[C@@H](C)[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000491803914 332357670 /nfs/dbraw/zinc/35/76/70/332357670.db2.gz JVVAUGIYSAPMEQ-IUODEOHRSA-N 2 2 277.368 0.814 20 30 CCEDLP C#C[C@@H](C)[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000491803914 332357671 /nfs/dbraw/zinc/35/76/71/332357671.db2.gz JVVAUGIYSAPMEQ-IUODEOHRSA-N 2 2 277.368 0.814 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2CSC)CC1 ZINC000135460133 334130671 /nfs/dbraw/zinc/13/06/71/334130671.db2.gz LIEMJGPOCJDGQX-AWEZNQCLSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2CSC)CC1 ZINC000135460133 334130672 /nfs/dbraw/zinc/13/06/72/334130672.db2.gz LIEMJGPOCJDGQX-AWEZNQCLSA-N 2 2 295.452 0.591 20 30 CCEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCC#N)CC1 ZINC000350615296 528084494 /nfs/dbraw/zinc/08/44/94/528084494.db2.gz DFXRYPKQWWTKMW-UHFFFAOYSA-N 2 2 266.389 0.776 20 30 CCEDLP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000669936940 545223662 /nfs/dbraw/zinc/22/36/62/545223662.db2.gz MERWPOOOCCZEHL-CABCVRRESA-N 2 2 268.401 0.968 20 30 CCEDLP C=C(C)[C@H](CO)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000669936940 545223663 /nfs/dbraw/zinc/22/36/63/545223663.db2.gz MERWPOOOCCZEHL-CABCVRRESA-N 2 2 268.401 0.968 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000787677371 581475445 /nfs/dbraw/zinc/47/54/45/581475445.db2.gz VSFSYQMDGNFNOJ-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000787677371 581475447 /nfs/dbraw/zinc/47/54/47/581475447.db2.gz VSFSYQMDGNFNOJ-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000753820427 581559559 /nfs/dbraw/zinc/55/95/59/581559559.db2.gz SBOXLNDIKZTITB-ZDUSSCGKSA-N 2 2 265.401 0.931 20 30 CCEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758243227 581731365 /nfs/dbraw/zinc/73/13/65/581731365.db2.gz OGIDLQFVWHPFJN-ZDUSSCGKSA-N 2 2 283.335 0.900 20 30 CCEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758243227 581731368 /nfs/dbraw/zinc/73/13/68/581731368.db2.gz OGIDLQFVWHPFJN-ZDUSSCGKSA-N 2 2 283.335 0.900 20 30 CCEDLP C#CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000746470478 581915932 /nfs/dbraw/zinc/91/59/32/581915932.db2.gz GRLRWLNLAABLQL-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000746470478 581915935 /nfs/dbraw/zinc/91/59/35/581915935.db2.gz GRLRWLNLAABLQL-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000746470478 581915939 /nfs/dbraw/zinc/91/59/39/581915939.db2.gz GRLRWLNLAABLQL-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000746470478 581915940 /nfs/dbraw/zinc/91/59/40/581915940.db2.gz GRLRWLNLAABLQL-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP O=S1(=O)C=C(NNc2ccc(-n3cc[nH+]c3)n[nH+]2)CC1 ZINC000761854841 581922266 /nfs/dbraw/zinc/92/22/66/581922266.db2.gz HPUZSFGTUQHEHK-UHFFFAOYSA-N 2 2 292.324 0.249 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C[C@@H]2CCOC2)CC1 ZINC000748815629 581988300 /nfs/dbraw/zinc/98/83/00/581988300.db2.gz CYRQQJQZADSCIC-HNNXBMFYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C[C@@H]2CCOC2)CC1 ZINC000748815629 581988302 /nfs/dbraw/zinc/98/83/02/581988302.db2.gz CYRQQJQZADSCIC-HNNXBMFYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749513198 582010577 /nfs/dbraw/zinc/01/05/77/582010577.db2.gz AZKIHOGAFOAPQU-DZGCQCFKSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749513198 582010579 /nfs/dbraw/zinc/01/05/79/582010579.db2.gz AZKIHOGAFOAPQU-DZGCQCFKSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749513198 582010581 /nfs/dbraw/zinc/01/05/81/582010581.db2.gz AZKIHOGAFOAPQU-DZGCQCFKSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749513198 582010583 /nfs/dbraw/zinc/01/05/83/582010583.db2.gz AZKIHOGAFOAPQU-DZGCQCFKSA-N 2 2 275.396 0.685 20 30 CCEDLP C#C[C@@H]([NH2+]CCC[NH2+][C@@H](C#C)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000775791535 582038292 /nfs/dbraw/zinc/03/82/92/582038292.db2.gz VXHXYWVDJKMOSR-YVSFHVDLSA-N 2 2 290.407 0.917 20 30 CCEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC#N)[C@H](C)C1 ZINC000750826912 582060152 /nfs/dbraw/zinc/06/01/52/582060152.db2.gz UDEKDDKTKQBCCQ-CHWSQXEVSA-N 2 2 266.389 0.678 20 30 CCEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC#N)[C@H](C)C1 ZINC000750826912 582060154 /nfs/dbraw/zinc/06/01/54/582060154.db2.gz UDEKDDKTKQBCCQ-CHWSQXEVSA-N 2 2 266.389 0.678 20 30 CCEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCC#N)[C@H](C)C1 ZINC000750826912 582060157 /nfs/dbraw/zinc/06/01/57/582060157.db2.gz UDEKDDKTKQBCCQ-CHWSQXEVSA-N 2 2 266.389 0.678 20 30 CCEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCC#N)[C@H](C)C1 ZINC000750826912 582060160 /nfs/dbraw/zinc/06/01/60/582060160.db2.gz UDEKDDKTKQBCCQ-CHWSQXEVSA-N 2 2 266.389 0.678 20 30 CCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(N(C)C)nc1 ZINC000883131816 613079204 /nfs/dbraw/zinc/07/92/04/613079204.db2.gz UBPCLFJOMFRRSV-UHFFFAOYSA-N 2 2 261.373 0.587 20 30 CCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(N(C)C)nc1 ZINC000883131816 613079206 /nfs/dbraw/zinc/07/92/06/613079206.db2.gz UBPCLFJOMFRRSV-UHFFFAOYSA-N 2 2 261.373 0.587 20 30 CCEDLP C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000847023025 613106865 /nfs/dbraw/zinc/10/68/65/613106865.db2.gz KOCKZYLMSKRQIM-LSDHHAIUSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981455641 612958829 /nfs/dbraw/zinc/95/88/29/612958829.db2.gz FCEGDWZACKRKKC-OLZOCXBDSA-N 2 2 274.368 0.613 20 30 CCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972308382 613083953 /nfs/dbraw/zinc/08/39/53/613083953.db2.gz TWOQLPHLRNQMPJ-OLZOCXBDSA-N 2 2 286.379 0.996 20 30 CCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972308382 613083955 /nfs/dbraw/zinc/08/39/55/613083955.db2.gz TWOQLPHLRNQMPJ-OLZOCXBDSA-N 2 2 286.379 0.996 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971999062 613090173 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C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948086046 613228548 /nfs/dbraw/zinc/22/85/48/613228548.db2.gz JHGGZUXHGKRDDT-CHWSQXEVSA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948086046 613228549 /nfs/dbraw/zinc/22/85/49/613228549.db2.gz JHGGZUXHGKRDDT-CHWSQXEVSA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648673 613229829 /nfs/dbraw/zinc/22/98/29/613229829.db2.gz GNHKRGKVMPGCQX-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648673 613229831 /nfs/dbraw/zinc/22/98/31/613229831.db2.gz GNHKRGKVMPGCQX-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648673 613229832 /nfs/dbraw/zinc/22/98/32/613229832.db2.gz GNHKRGKVMPGCQX-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648673 613229834 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ZINC001016008172 650674990 /nfs/dbraw/zinc/67/49/90/650674990.db2.gz ANTUOXLWGIOXBI-LBPRGKRZSA-N 2 2 272.352 0.585 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016008172 650674993 /nfs/dbraw/zinc/67/49/93/650674993.db2.gz ANTUOXLWGIOXBI-LBPRGKRZSA-N 2 2 272.352 0.585 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001018268733 650851066 /nfs/dbraw/zinc/85/10/66/650851066.db2.gz DMWYWVULFNOXIX-GASCZTMLSA-N 2 2 286.379 0.890 20 30 CCEDLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852902396 644051228 /nfs/dbraw/zinc/05/12/28/644051228.db2.gz FKTALOGMLNWGLK-KGLIPLIRSA-N 2 2 293.411 0.215 20 30 CCEDLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852902396 644051230 /nfs/dbraw/zinc/05/12/30/644051230.db2.gz FKTALOGMLNWGLK-KGLIPLIRSA-N 2 2 293.411 0.215 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001019189428 650945062 /nfs/dbraw/zinc/94/50/62/650945062.db2.gz LEIKIQBGIVNHGO-GJZGRUSLSA-N 2 2 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N#CCc1cncc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158270964 801610365 /nfs/dbraw/zinc/61/03/65/801610365.db2.gz WDRQWHHBSOGGQY-LBPRGKRZSA-N 2 2 286.383 0.544 20 30 CCEDLP N#CCc1cncc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158270964 801610366 /nfs/dbraw/zinc/61/03/66/801610366.db2.gz WDRQWHHBSOGGQY-LBPRGKRZSA-N 2 2 286.383 0.544 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001160436144 801936855 /nfs/dbraw/zinc/93/68/55/801936855.db2.gz HLYVHYXVPLUAPQ-VXGBXAGGSA-N 2 2 255.337 0.264 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001163275060 802526481 /nfs/dbraw/zinc/52/64/81/802526481.db2.gz OOMPSOBMPFXWRZ-OAHLLOKOSA-N 2 2 295.427 0.769 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001163275060 802526485 /nfs/dbraw/zinc/52/64/85/802526485.db2.gz OOMPSOBMPFXWRZ-OAHLLOKOSA-N 2 2 295.427 0.769 20 30 CCEDLP C#CCC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203494796 803031095 /nfs/dbraw/zinc/03/10/95/803031095.db2.gz 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C=CCOC1CCC([N@H+]2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246932755 807433860 /nfs/dbraw/zinc/43/38/60/807433860.db2.gz HKVNCHBPZVHHHN-CLRIEMFWSA-N 2 2 282.384 0.932 20 30 CCEDLP C=CCOC1CCC([N@@H+]2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246932755 807433863 /nfs/dbraw/zinc/43/38/63/807433863.db2.gz HKVNCHBPZVHHHN-CLRIEMFWSA-N 2 2 282.384 0.932 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075961414 815128698 /nfs/dbraw/zinc/12/86/98/815128698.db2.gz NDILVXRSZTWTIY-OFQRWUPVSA-N 2 2 298.390 0.611 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075961414 815128701 /nfs/dbraw/zinc/12/87/01/815128701.db2.gz NDILVXRSZTWTIY-OFQRWUPVSA-N 2 2 298.390 0.611 20 30 CCEDLP C#CCOC[C@H](O)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001251847631 807719007 /nfs/dbraw/zinc/71/90/07/807719007.db2.gz JQPACXWZELCIMM-OAHLLOKOSA-N 2 2 284.400 0.040 20 30 CCEDLP C#CCOC[C@H](O)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001251847631 807719012 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ZINC001267993404 811931064 /nfs/dbraw/zinc/93/10/64/811931064.db2.gz YBYBMPAEVWXYOZ-CHWSQXEVSA-N 2 2 276.384 0.973 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001268012304 811950529 /nfs/dbraw/zinc/95/05/29/811950529.db2.gz NQERFEDAJADTCP-CYBMUJFWSA-N 2 2 276.384 0.718 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001268485345 812665382 /nfs/dbraw/zinc/66/53/82/812665382.db2.gz QPJMQOXZWZUDTD-ZDUSSCGKSA-N 2 2 281.400 0.331 20 30 CCEDLP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268735086 813049665 /nfs/dbraw/zinc/04/96/65/813049665.db2.gz DQDPVBWTIDAHHY-ZIAGYGMSSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268735086 813049673 /nfs/dbraw/zinc/04/96/73/813049673.db2.gz DQDPVBWTIDAHHY-ZIAGYGMSSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001270659657 813876621 /nfs/dbraw/zinc/87/66/21/813876621.db2.gz VUMPLOMSMZGNKJ-ZBFHGGJFSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001270659657 813876632 /nfs/dbraw/zinc/87/66/32/813876632.db2.gz VUMPLOMSMZGNKJ-ZBFHGGJFSA-N 2 2 293.411 0.169 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271229912 814343736 /nfs/dbraw/zinc/34/37/36/814343736.db2.gz ZLENIKHGOXRGLH-CQSZACIVSA-N 2 2 278.356 0.012 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271229912 814343744 /nfs/dbraw/zinc/34/37/44/814343744.db2.gz ZLENIKHGOXRGLH-CQSZACIVSA-N 2 2 278.356 0.012 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121321 814416750 /nfs/dbraw/zinc/41/67/50/814416750.db2.gz ZMBFRPPKXFEFTJ-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121321 814416754 /nfs/dbraw/zinc/41/67/54/814416754.db2.gz ZMBFRPPKXFEFTJ-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046217802 816444438 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N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001343468237 923332995 /nfs/dbraw/zinc/33/29/95/923332995.db2.gz SIJPZOBVDKQLPV-BXKDBHETSA-N 2 2 255.281 0.404 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600724185 362045386 /nfs/dbraw/zinc/04/53/86/362045386.db2.gz FXSWSNUWHXSJHU-KGLIPLIRSA-N 2 2 281.400 0.742 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600724185 362045393 /nfs/dbraw/zinc/04/53/93/362045393.db2.gz FXSWSNUWHXSJHU-KGLIPLIRSA-N 2 2 281.400 0.742 20 30 CCEDLP N#Cc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000600769267 362058205 /nfs/dbraw/zinc/05/82/05/362058205.db2.gz LATMUXGITZWKIX-GFCCVEGCSA-N 2 2 260.341 0.631 20 30 CCEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847334 362834271 /nfs/dbraw/zinc/83/42/71/362834271.db2.gz AITGNAWGYHTAHL-KKUMJFAQSA-N 2 2 282.432 0.606 20 30 CCEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602847334 362834274 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C[C@@H](C#N)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338283380 355311414 /nfs/dbraw/zinc/31/14/14/355311414.db2.gz HNHCPDBBFWXUPF-ZDUSSCGKSA-N 2 2 278.400 0.775 20 30 CCEDLP C[C@@H](C#N)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338283380 355311418 /nfs/dbraw/zinc/31/14/18/355311418.db2.gz HNHCPDBBFWXUPF-ZDUSSCGKSA-N 2 2 278.400 0.775 20 30 CCEDLP Cc1cccn2c(C[NH2+]CCn3cnc(C#N)n3)c[nH+]c12 ZINC000353042661 356145815 /nfs/dbraw/zinc/14/58/15/356145815.db2.gz BCCJINSZFJHQPB-UHFFFAOYSA-N 2 2 281.323 0.896 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000610540354 363574178 /nfs/dbraw/zinc/57/41/78/363574178.db2.gz APHOVSHDZKJKGV-UHFFFAOYSA-N 2 2 278.381 0.483 20 30 CCEDLP C[C@@H](C[NH+]1CCCCC1)NC[C@H](O)C[N@H+](C)CCC#N ZINC000591726071 359649031 /nfs/dbraw/zinc/64/90/31/359649031.db2.gz HAAIKAKYZROYAJ-GJZGRUSLSA-N 2 2 282.432 0.657 20 30 CCEDLP C[C@@H](C[NH+]1CCCCC1)NC[C@H](O)C[N@@H+](C)CCC#N ZINC000591726071 359649033 /nfs/dbraw/zinc/64/90/33/359649033.db2.gz HAAIKAKYZROYAJ-GJZGRUSLSA-N 2 2 282.432 0.657 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000592489532 359856042 /nfs/dbraw/zinc/85/60/42/359856042.db2.gz YGYVBNADUCAYJP-SRVKXCTJSA-N 2 2 282.388 0.446 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000592489532 359856048 /nfs/dbraw/zinc/85/60/48/359856048.db2.gz YGYVBNADUCAYJP-SRVKXCTJSA-N 2 2 282.388 0.446 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506489 360555109 /nfs/dbraw/zinc/55/51/09/360555109.db2.gz DLXQDVHNCCGJQK-OAHLLOKOSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506489 360555113 /nfs/dbraw/zinc/55/51/13/360555113.db2.gz DLXQDVHNCCGJQK-OAHLLOKOSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506489 360555117 /nfs/dbraw/zinc/55/51/17/360555117.db2.gz DLXQDVHNCCGJQK-OAHLLOKOSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506489 360555121 /nfs/dbraw/zinc/55/51/21/360555121.db2.gz DLXQDVHNCCGJQK-OAHLLOKOSA-N 2 2 294.399 0.416 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc(C#N)cnn3)C2)CC1 ZINC000596123140 360802158 /nfs/dbraw/zinc/80/21/58/360802158.db2.gz NMILATBVLBFVSZ-CYBMUJFWSA-N 2 2 286.383 0.351 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc(C#N)cnn3)C2)CC1 ZINC000596123140 360802163 /nfs/dbraw/zinc/80/21/63/360802163.db2.gz NMILATBVLBFVSZ-CYBMUJFWSA-N 2 2 286.383 0.351 20 30 CCEDLP C=C[C@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634722003 372169147 /nfs/dbraw/zinc/16/91/47/372169147.db2.gz IJQBVBSVBRUGQM-CVEARBPZSA-N 2 2 276.380 0.760 20 30 CCEDLP C=C[C@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634722003 372169150 /nfs/dbraw/zinc/16/91/50/372169150.db2.gz IJQBVBSVBRUGQM-CVEARBPZSA-N 2 2 276.380 0.760 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764556 375993467 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20 30 CCEDLP C=CC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000121490014 389149172 /nfs/dbraw/zinc/14/91/72/389149172.db2.gz YIXVENWHBHURDD-CQSZACIVSA-N 2 2 283.416 0.577 20 30 CCEDLP C=CC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000121490014 389149174 /nfs/dbraw/zinc/14/91/74/389149174.db2.gz YIXVENWHBHURDD-CQSZACIVSA-N 2 2 283.416 0.577 20 30 CCEDLP C=CC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000121490014 389149176 /nfs/dbraw/zinc/14/91/76/389149176.db2.gz YIXVENWHBHURDD-CQSZACIVSA-N 2 2 283.416 0.577 20 30 CCEDLP C=CC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000121490014 389149179 /nfs/dbraw/zinc/14/91/79/389149179.db2.gz YIXVENWHBHURDD-CQSZACIVSA-N 2 2 283.416 0.577 20 30 CCEDLP C[N@@H+]1CCO[C@H](C[NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329629119 389179836 /nfs/dbraw/zinc/17/98/36/389179836.db2.gz UYORBJFWPPZYJI-WDEREUQCSA-N 2 2 293.371 0.101 20 30 CCEDLP C[N@H+]1CCO[C@H](C[NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329629119 389179839 /nfs/dbraw/zinc/17/98/39/389179839.db2.gz UYORBJFWPPZYJI-WDEREUQCSA-N 2 2 293.371 0.101 20 30 CCEDLP C[NH+]1CCC([NH+]=C([O-])N2CCn3c[nH+]cc3C2)CC1 ZINC000329505562 389167476 /nfs/dbraw/zinc/16/74/76/389167476.db2.gz AKHFWDZXHKHRKU-UHFFFAOYSA-N 2 2 263.345 0.707 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246140161 389223989 /nfs/dbraw/zinc/22/39/89/389223989.db2.gz KIDQLTIAFKUWSM-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246140161 389223991 /nfs/dbraw/zinc/22/39/91/389223991.db2.gz KIDQLTIAFKUWSM-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246140161 389223994 /nfs/dbraw/zinc/22/39/94/389223994.db2.gz KIDQLTIAFKUWSM-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246140161 389223996 /nfs/dbraw/zinc/22/39/96/389223996.db2.gz KIDQLTIAFKUWSM-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247009032 389234815 /nfs/dbraw/zinc/23/48/15/389234815.db2.gz FSTMXRQRQAXXBM-DZGCQCFKSA-N 2 2 280.416 0.924 20 30 CCEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247009032 389234819 /nfs/dbraw/zinc/23/48/19/389234819.db2.gz FSTMXRQRQAXXBM-DZGCQCFKSA-N 2 2 280.416 0.924 20 30 CCEDLP CC(C)[N@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000330547174 389240347 /nfs/dbraw/zinc/24/03/47/389240347.db2.gz AIRMWTWYRJDQCT-UHFFFAOYSA-N 2 2 253.350 0.764 20 30 CCEDLP CC(C)[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000330547174 389240352 /nfs/dbraw/zinc/24/03/52/389240352.db2.gz AIRMWTWYRJDQCT-UHFFFAOYSA-N 2 2 253.350 0.764 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2(O)CCCC2)CC1 ZINC000152337358 389288976 /nfs/dbraw/zinc/28/89/76/389288976.db2.gz AUVNXKBJLPTCHL-UHFFFAOYSA-N 2 2 293.411 0.001 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC2(O)CCCC2)CC1 ZINC000152337358 389288978 /nfs/dbraw/zinc/28/89/78/389288978.db2.gz AUVNXKBJLPTCHL-UHFFFAOYSA-N 2 2 293.411 0.001 20 30 CCEDLP N#C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000442785766 389863166 /nfs/dbraw/zinc/86/31/66/389863166.db2.gz AAZAVDGHIPPEMY-FRRDWIJNSA-N 2 2 264.373 0.608 20 30 CCEDLP N#C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000442785766 389863167 /nfs/dbraw/zinc/86/31/67/389863167.db2.gz AAZAVDGHIPPEMY-FRRDWIJNSA-N 2 2 264.373 0.608 20 30 CCEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000447528773 389957321 /nfs/dbraw/zinc/95/73/21/389957321.db2.gz IKVXJLPWXRTXNQ-RDBSUJKOSA-N 2 2 278.400 0.998 20 30 CCEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000447528773 389957322 /nfs/dbraw/zinc/95/73/22/389957322.db2.gz IKVXJLPWXRTXNQ-RDBSUJKOSA-N 2 2 278.400 0.998 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000491296271 390111472 /nfs/dbraw/zinc/11/14/72/390111472.db2.gz KUQLNZAGQOIPRA-HUUCEWRRSA-N 2 2 293.411 0.121 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000491296271 390111473 /nfs/dbraw/zinc/11/14/73/390111473.db2.gz KUQLNZAGQOIPRA-HUUCEWRRSA-N 2 2 293.411 0.121 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000491483585 390113983 /nfs/dbraw/zinc/11/39/83/390113983.db2.gz CKJOKKSUWXYXKJ-CYBMUJFWSA-N 2 2 274.368 0.798 20 30 CCEDLP C=CCOCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000645100526 390370849 /nfs/dbraw/zinc/37/08/49/390370849.db2.gz RIZOEEBGFVZMSB-CQSZACIVSA-N 2 2 281.400 0.603 20 30 CCEDLP C=CCOCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000645100526 390370851 /nfs/dbraw/zinc/37/08/51/390370851.db2.gz RIZOEEBGFVZMSB-CQSZACIVSA-N 2 2 281.400 0.603 20 30 CCEDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(C#N)cc1 ZINC000038031061 174024282 /nfs/dbraw/zinc/02/42/82/174024282.db2.gz ULESWJYKLIVPJH-UHFFFAOYSA-N 2 2 272.352 0.422 20 30 CCEDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(C#N)cc1 ZINC000038031061 174024284 /nfs/dbraw/zinc/02/42/84/174024284.db2.gz ULESWJYKLIVPJH-UHFFFAOYSA-N 2 2 272.352 0.422 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC[NH2+]1 ZINC000662857211 414850343 /nfs/dbraw/zinc/85/03/43/414850343.db2.gz IAASZIGVKKCVAM-INIZCTEOSA-N 3 2 296.459 0.684 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC[NH2+]1 ZINC000662857211 414850349 /nfs/dbraw/zinc/85/03/49/414850349.db2.gz IAASZIGVKKCVAM-INIZCTEOSA-N 3 2 296.459 0.684 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663303710 415040612 /nfs/dbraw/zinc/04/06/12/415040612.db2.gz JOHOQYWRAXUWGB-JSGCOSHPSA-N 2 2 281.400 0.520 20 30 CCEDLP C#CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000490874149 261234157 /nfs/dbraw/zinc/23/41/57/261234157.db2.gz LLSKFEMDGJTRLL-AWEZNQCLSA-N 2 2 295.408 0.704 20 30 CCEDLP C#CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000490874149 261234158 /nfs/dbraw/zinc/23/41/58/261234158.db2.gz LLSKFEMDGJTRLL-AWEZNQCLSA-N 2 2 295.408 0.704 20 30 CCEDLP COCCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000195522638 262251666 /nfs/dbraw/zinc/25/16/66/262251666.db2.gz OXQKNBBCRVIABP-UHFFFAOYSA-N 2 2 274.328 0.318 20 30 CCEDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000530231152 267338194 /nfs/dbraw/zinc/33/81/94/267338194.db2.gz NCYMODIVTNLIQX-GJZGRUSLSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000530231152 267338195 /nfs/dbraw/zinc/33/81/95/267338195.db2.gz NCYMODIVTNLIQX-GJZGRUSLSA-N 2 2 289.379 0.982 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC000369245346 277027502 /nfs/dbraw/zinc/02/75/02/277027502.db2.gz XQWMKHWPFDUOOQ-CQSZACIVSA-N 2 2 285.395 0.956 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC000369245346 277027503 /nfs/dbraw/zinc/02/75/03/277027503.db2.gz XQWMKHWPFDUOOQ-CQSZACIVSA-N 2 2 285.395 0.956 20 30 CCEDLP C[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329739616 277047201 /nfs/dbraw/zinc/04/72/01/277047201.db2.gz NNCRAJVUEFKXHW-LLVKDONJSA-N 2 2 277.372 0.819 20 30 CCEDLP C[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329739616 277047202 /nfs/dbraw/zinc/04/72/02/277047202.db2.gz NNCRAJVUEFKXHW-LLVKDONJSA-N 2 2 277.372 0.819 20 30 CCEDLP C[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329739616 277047204 /nfs/dbraw/zinc/04/72/04/277047204.db2.gz NNCRAJVUEFKXHW-LLVKDONJSA-N 2 2 277.372 0.819 20 30 CCEDLP C[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329739616 277047205 /nfs/dbraw/zinc/04/72/05/277047205.db2.gz NNCRAJVUEFKXHW-LLVKDONJSA-N 2 2 277.372 0.819 20 30 CCEDLP C[C@@H]1C[NH+]=C(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)N1 ZINC000262676394 330026215 /nfs/dbraw/zinc/02/62/15/330026215.db2.gz UBDHTJNGKUFZLQ-UTUOFQBUSA-N 2 2 268.405 0.812 20 30 CCEDLP C[C@@H]1C[NH+]=C(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)N1 ZINC000262676394 330026217 /nfs/dbraw/zinc/02/62/17/330026217.db2.gz UBDHTJNGKUFZLQ-UTUOFQBUSA-N 2 2 268.405 0.812 20 30 CCEDLP C=C(C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000119559363 330376100 /nfs/dbraw/zinc/37/61/00/330376100.db2.gz ICOOKGNEGXPVHJ-UHFFFAOYSA-N 2 2 268.405 0.888 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000490713561 332107299 /nfs/dbraw/zinc/10/72/99/332107299.db2.gz KUEXTYGUJJLVQV-ZIAGYGMSSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000490713561 332107300 /nfs/dbraw/zinc/10/73/00/332107300.db2.gz KUEXTYGUJJLVQV-ZIAGYGMSSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)C2CCOCC2)CC1 ZINC000490924634 332129824 /nfs/dbraw/zinc/12/98/24/332129824.db2.gz QTGDFZVRMHSSET-CQSZACIVSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000490933133 332130480 /nfs/dbraw/zinc/13/04/80/332130480.db2.gz CVIAAJNMLDVHCP-UHFFFAOYSA-N 2 2 274.368 0.784 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H](C)CC)CC1 ZINC000491209343 332166202 /nfs/dbraw/zinc/16/62/02/332166202.db2.gz FTHDTJVCEWIHEZ-CQSZACIVSA-N 2 2 265.401 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H](C)CC)CC1 ZINC000491209343 332166203 /nfs/dbraw/zinc/16/62/03/332166203.db2.gz FTHDTJVCEWIHEZ-CQSZACIVSA-N 2 2 265.401 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCOC(C)C)CC1 ZINC000491428321 332210023 /nfs/dbraw/zinc/21/00/23/332210023.db2.gz OEQNMGFPQXZSJW-UHFFFAOYSA-N 2 2 295.427 0.511 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCOC(C)C)CC1 ZINC000491428321 332210024 /nfs/dbraw/zinc/21/00/24/332210024.db2.gz OEQNMGFPQXZSJW-UHFFFAOYSA-N 2 2 295.427 0.511 20 30 CCEDLP C#CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000491441270 332212372 /nfs/dbraw/zinc/21/23/72/332212372.db2.gz VCDTUWCVKANFDA-UHFFFAOYSA-N 2 2 275.396 0.827 20 30 CCEDLP C#CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000491441270 332212374 /nfs/dbraw/zinc/21/23/74/332212374.db2.gz VCDTUWCVKANFDA-UHFFFAOYSA-N 2 2 275.396 0.827 20 30 CCEDLP C#C[C@@H](CO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491783290 332346620 /nfs/dbraw/zinc/34/66/20/332346620.db2.gz NNRAOFVEHYZERT-UONOGXRCSA-N 2 2 287.363 0.598 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000491804641 332358411 /nfs/dbraw/zinc/35/84/11/332358411.db2.gz MDZGXMLMYJRIEQ-HNNXBMFYSA-N 2 2 293.411 0.170 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000491804641 332358413 /nfs/dbraw/zinc/35/84/13/332358413.db2.gz MDZGXMLMYJRIEQ-HNNXBMFYSA-N 2 2 293.411 0.170 20 30 CCEDLP CC#CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681519403 545454284 /nfs/dbraw/zinc/45/42/84/545454284.db2.gz OAMUYMAEXFAUKM-AWEZNQCLSA-N 2 2 292.427 0.868 20 30 CCEDLP CC#CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681519403 545454285 /nfs/dbraw/zinc/45/42/85/545454285.db2.gz OAMUYMAEXFAUKM-AWEZNQCLSA-N 2 2 292.427 0.868 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000765359223 581510139 /nfs/dbraw/zinc/51/01/39/581510139.db2.gz MBQYQCPFLAAQGR-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000730104636 581646609 /nfs/dbraw/zinc/64/66/09/581646609.db2.gz SYORWTWGHBWWHR-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000730104636 581646612 /nfs/dbraw/zinc/64/66/12/581646612.db2.gz SYORWTWGHBWWHR-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000730284318 581692487 /nfs/dbraw/zinc/69/24/87/581692487.db2.gz IREYNHAJRUGMDV-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000730284318 581692490 /nfs/dbraw/zinc/69/24/90/581692490.db2.gz IREYNHAJRUGMDV-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000730284318 581692494 /nfs/dbraw/zinc/69/24/94/581692494.db2.gz IREYNHAJRUGMDV-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000730284318 581692497 /nfs/dbraw/zinc/69/24/97/581692497.db2.gz IREYNHAJRUGMDV-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C[NH+]1CCN(c2ncc(C=[NH+]NC3CC3)cn2)CC1 ZINC000758129343 581722235 /nfs/dbraw/zinc/72/22/35/581722235.db2.gz LTZCRPALQTULFP-UHFFFAOYSA-N 2 2 260.345 0.314 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000746260336 581905809 /nfs/dbraw/zinc/90/58/09/581905809.db2.gz VPWWHSFQAVNGNT-CQSZACIVSA-N 2 2 265.401 0.884 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852109126 612948190 /nfs/dbraw/zinc/94/81/90/612948190.db2.gz WBYLJJRURUQBSZ-UKRRQHHQSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852109126 612948191 /nfs/dbraw/zinc/94/81/91/612948191.db2.gz WBYLJJRURUQBSZ-UKRRQHHQSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852109126 612948193 /nfs/dbraw/zinc/94/81/93/612948193.db2.gz WBYLJJRURUQBSZ-UKRRQHHQSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852109126 612948195 /nfs/dbraw/zinc/94/81/95/612948195.db2.gz WBYLJJRURUQBSZ-UKRRQHHQSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000969911227 612962875 /nfs/dbraw/zinc/96/28/75/612962875.db2.gz QWVGLNHILTWCMD-VXGBXAGGSA-N 2 2 272.352 0.653 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000969136201 612963657 /nfs/dbraw/zinc/96/36/57/612963657.db2.gz SMVRGTFHSVNWDJ-QWHCGFSZSA-N 2 2 286.379 0.647 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000969136201 612963658 /nfs/dbraw/zinc/96/36/58/612963658.db2.gz SMVRGTFHSVNWDJ-QWHCGFSZSA-N 2 2 286.379 0.647 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000970464969 612965587 /nfs/dbraw/zinc/96/55/87/612965587.db2.gz KCRDKCVPRFBLOI-CYBMUJFWSA-N 2 2 295.346 0.705 20 30 CCEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981455643 612973117 /nfs/dbraw/zinc/97/31/17/612973117.db2.gz FCEGDWZACKRKKC-STQMWFEESA-N 2 2 274.368 0.613 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701278 613022796 /nfs/dbraw/zinc/02/27/96/613022796.db2.gz FIRHMJJHHXLLHI-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701278 613022798 /nfs/dbraw/zinc/02/27/98/613022798.db2.gz FIRHMJJHHXLLHI-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646523 613037333 /nfs/dbraw/zinc/03/73/33/613037333.db2.gz LTDCZSJLCDQCDY-ZDUSSCGKSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646523 613037335 /nfs/dbraw/zinc/03/73/35/613037335.db2.gz LTDCZSJLCDQCDY-ZDUSSCGKSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895605 613043054 /nfs/dbraw/zinc/04/30/54/613043054.db2.gz JZBPRJJKHVUSSZ-IMRBUKKESA-N 2 2 258.325 0.022 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895605 613043056 /nfs/dbraw/zinc/04/30/56/613043056.db2.gz JZBPRJJKHVUSSZ-IMRBUKKESA-N 2 2 258.325 0.022 20 30 CCEDLP C#CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000886365487 613047081 /nfs/dbraw/zinc/04/70/81/613047081.db2.gz JNPLGPNAEFKSEY-KGLIPLIRSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000886365487 613047082 /nfs/dbraw/zinc/04/70/82/613047082.db2.gz JNPLGPNAEFKSEY-KGLIPLIRSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000886365487 613047084 /nfs/dbraw/zinc/04/70/84/613047084.db2.gz JNPLGPNAEFKSEY-KGLIPLIRSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000886365487 613047086 /nfs/dbraw/zinc/04/70/86/613047086.db2.gz JNPLGPNAEFKSEY-KGLIPLIRSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875623736 613076289 /nfs/dbraw/zinc/07/62/89/613076289.db2.gz UCRXGEXCIGCEGT-GFCCVEGCSA-N 2 2 275.356 0.062 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000875623736 613076290 /nfs/dbraw/zinc/07/62/90/613076290.db2.gz UCRXGEXCIGCEGT-GFCCVEGCSA-N 2 2 275.356 0.062 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854664370 613077647 /nfs/dbraw/zinc/07/76/47/613077647.db2.gz RFSQKEIFLCQZDY-CHWSQXEVSA-N 2 2 274.368 0.595 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000854664370 613077649 /nfs/dbraw/zinc/07/76/49/613077649.db2.gz RFSQKEIFLCQZDY-CHWSQXEVSA-N 2 2 274.368 0.595 20 30 CCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000969836655 613123416 /nfs/dbraw/zinc/12/34/16/613123416.db2.gz NSZXHVLBROBEDM-JSGCOSHPSA-N 2 2 286.379 0.830 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000923559206 613189544 /nfs/dbraw/zinc/18/95/44/613189544.db2.gz IVVQBHYXTBETOS-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000923559206 613189545 /nfs/dbraw/zinc/18/95/45/613189545.db2.gz IVVQBHYXTBETOS-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP CNC(NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)=[NH+]C ZINC000864357979 613219037 /nfs/dbraw/zinc/21/90/37/613219037.db2.gz CHOKCLKISLWLFY-OAHLLOKOSA-N 2 2 290.411 0.991 20 30 CCEDLP CNC(NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)=[NH+]C ZINC000864357979 613219043 /nfs/dbraw/zinc/21/90/43/613219043.db2.gz CHOKCLKISLWLFY-OAHLLOKOSA-N 2 2 290.411 0.991 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943179801 613227231 /nfs/dbraw/zinc/22/72/31/613227231.db2.gz ZHMBVNKMISSNSM-WCQYABFASA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943179801 613227233 /nfs/dbraw/zinc/22/72/33/613227233.db2.gz ZHMBVNKMISSNSM-WCQYABFASA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977616664 613281742 /nfs/dbraw/zinc/28/17/42/613281742.db2.gz OMISGKGWJAQWRE-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977616664 613281743 /nfs/dbraw/zinc/28/17/43/613281743.db2.gz OMISGKGWJAQWRE-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977616664 613281744 /nfs/dbraw/zinc/28/17/44/613281744.db2.gz OMISGKGWJAQWRE-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977616664 613281745 /nfs/dbraw/zinc/28/17/45/613281745.db2.gz OMISGKGWJAQWRE-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000905675957 613326260 /nfs/dbraw/zinc/32/62/60/613326260.db2.gz ARTYEAHSAVFOQT-UHFFFAOYSA-N 2 2 251.374 0.447 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000905675957 613326262 /nfs/dbraw/zinc/32/62/62/613326262.db2.gz ARTYEAHSAVFOQT-UHFFFAOYSA-N 2 2 251.374 0.447 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968651460 613574508 /nfs/dbraw/zinc/57/45/08/613574508.db2.gz JCXAOKBQNAIFOM-HUUCEWRRSA-N 2 2 277.412 0.932 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968651460 613574512 /nfs/dbraw/zinc/57/45/12/613574512.db2.gz JCXAOKBQNAIFOM-HUUCEWRRSA-N 2 2 277.412 0.932 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947761405 613579851 /nfs/dbraw/zinc/57/98/51/613579851.db2.gz KRJQEWUCMBZGTA-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947761405 613579854 /nfs/dbraw/zinc/57/98/54/613579854.db2.gz KRJQEWUCMBZGTA-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972676917 613724459 /nfs/dbraw/zinc/72/44/59/613724459.db2.gz MDXSDKOFPNEXEI-HOCLYGCPSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972676917 613724461 /nfs/dbraw/zinc/72/44/61/613724461.db2.gz MDXSDKOFPNEXEI-HOCLYGCPSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972676917 613724463 /nfs/dbraw/zinc/72/44/63/613724463.db2.gz MDXSDKOFPNEXEI-HOCLYGCPSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972676917 613724466 /nfs/dbraw/zinc/72/44/66/613724466.db2.gz MDXSDKOFPNEXEI-HOCLYGCPSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943755960 613744719 /nfs/dbraw/zinc/74/47/19/613744719.db2.gz JQHFPUGRZQOAHL-VXGBXAGGSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943755960 613744720 /nfs/dbraw/zinc/74/47/20/613744720.db2.gz JQHFPUGRZQOAHL-VXGBXAGGSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972991432 613807644 /nfs/dbraw/zinc/80/76/44/613807644.db2.gz KOLGLXAGSQDKHZ-QWHCGFSZSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972991432 613807645 /nfs/dbraw/zinc/80/76/45/613807645.db2.gz KOLGLXAGSQDKHZ-QWHCGFSZSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991432 613807647 /nfs/dbraw/zinc/80/76/47/613807647.db2.gz KOLGLXAGSQDKHZ-QWHCGFSZSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972991432 613807648 /nfs/dbraw/zinc/80/76/48/613807648.db2.gz KOLGLXAGSQDKHZ-QWHCGFSZSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000884287835 613877636 /nfs/dbraw/zinc/87/76/36/613877636.db2.gz NEHJRJUYNIPJBU-WFASDCNBSA-N 2 2 295.383 0.035 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876707029 615153218 /nfs/dbraw/zinc/15/32/18/615153218.db2.gz OVCHEFUBMBJQGH-INIZCTEOSA-N 2 2 298.390 0.909 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921610641 616223453 /nfs/dbraw/zinc/22/34/53/616223453.db2.gz WCQCHECOHMVZIA-UHFFFAOYSA-N 2 2 278.381 0.483 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]21 ZINC001026281867 625386975 /nfs/dbraw/zinc/38/69/75/625386975.db2.gz JYALNJPUSQALTE-AEGPPILISA-N 2 2 286.379 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]21 ZINC001026281867 625386976 /nfs/dbraw/zinc/38/69/76/625386976.db2.gz JYALNJPUSQALTE-AEGPPILISA-N 2 2 286.379 0.802 20 30 CCEDLP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001009592292 625860489 /nfs/dbraw/zinc/86/04/89/625860489.db2.gz HFBXJAIXGRPTLZ-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001009592292 625860496 /nfs/dbraw/zinc/86/04/96/625860496.db2.gz HFBXJAIXGRPTLZ-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009592292 625860500 /nfs/dbraw/zinc/86/05/00/625860500.db2.gz HFBXJAIXGRPTLZ-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009592292 625860505 /nfs/dbraw/zinc/86/05/05/625860505.db2.gz HFBXJAIXGRPTLZ-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009719976 625914984 /nfs/dbraw/zinc/91/49/84/625914984.db2.gz ZSBMGEHBZYGMIR-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009719976 625914986 /nfs/dbraw/zinc/91/49/86/625914986.db2.gz ZSBMGEHBZYGMIR-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001027791109 630921593 /nfs/dbraw/zinc/92/15/93/630921593.db2.gz YNXPNJAJSIKGCR-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001027791109 630921598 /nfs/dbraw/zinc/92/15/98/630921598.db2.gz YNXPNJAJSIKGCR-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001027791109 630921602 /nfs/dbraw/zinc/92/16/02/630921602.db2.gz YNXPNJAJSIKGCR-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893018 631437788 /nfs/dbraw/zinc/43/77/88/631437788.db2.gz JQWOOGUAUGYEHD-JSGCOSHPSA-N 2 2 289.383 0.722 20 30 CCEDLP O=C1[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCN1O ZINC000895158257 631990309 /nfs/dbraw/zinc/99/03/09/631990309.db2.gz YHGZZSFRBLEAKH-ZDUSSCGKSA-N 2 2 287.323 0.737 20 30 CCEDLP O=C1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1O ZINC000895162765 631996243 /nfs/dbraw/zinc/99/62/43/631996243.db2.gz NSAWSVIWYXLWIA-CYBMUJFWSA-N 2 2 267.373 0.831 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000987413746 632866655 /nfs/dbraw/zinc/86/66/55/632866655.db2.gz GUIMXFCJZAXZCH-VXGBXAGGSA-N 2 2 260.341 0.473 20 30 CCEDLP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989676713 633343892 /nfs/dbraw/zinc/34/38/92/633343892.db2.gz RWSGHSNFFSVETN-NWDGAFQWSA-N 2 2 262.357 0.728 20 30 CCEDLP CC#CC[NH2+]Cc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899742465 633886461 /nfs/dbraw/zinc/88/64/61/633886461.db2.gz XVSHVHULQJATTB-CYBMUJFWSA-N 2 2 261.373 0.781 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994207217 637876135 /nfs/dbraw/zinc/87/61/35/637876135.db2.gz JXDJUYMUVPTGCP-OCCSQVGLSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994207217 637876136 /nfs/dbraw/zinc/87/61/36/637876136.db2.gz JXDJUYMUVPTGCP-OCCSQVGLSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994207214 637876468 /nfs/dbraw/zinc/87/64/68/637876468.db2.gz JXDJUYMUVPTGCP-GXTWGEPZSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994207214 637876469 /nfs/dbraw/zinc/87/64/69/637876469.db2.gz JXDJUYMUVPTGCP-GXTWGEPZSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994508034 637955018 /nfs/dbraw/zinc/95/50/18/637955018.db2.gz PBPXZQKPCDCVAJ-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994508034 637955022 /nfs/dbraw/zinc/95/50/22/637955022.db2.gz PBPXZQKPCDCVAJ-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996570061 638822769 /nfs/dbraw/zinc/82/27/69/638822769.db2.gz VOUJLXMNVLHCOJ-CQSZACIVSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996858279 638835008 /nfs/dbraw/zinc/83/50/08/638835008.db2.gz FXZWCVRTYDNIIP-UHFFFAOYSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000999489769 638984367 /nfs/dbraw/zinc/98/43/67/638984367.db2.gz MRZJWIXNOHJGAG-AWEZNQCLSA-N 2 2 287.363 0.847 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014982574 650511369 /nfs/dbraw/zinc/51/13/69/650511369.db2.gz FVGYCKJMZVUTSH-STQMWFEESA-N 2 2 274.368 0.822 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014982574 650511373 /nfs/dbraw/zinc/51/13/73/650511373.db2.gz FVGYCKJMZVUTSH-STQMWFEESA-N 2 2 274.368 0.822 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014983031 650511524 /nfs/dbraw/zinc/51/15/24/650511524.db2.gz HKLZUYAYMHNVEA-CHWSQXEVSA-N 2 2 274.368 0.822 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014983031 650511525 /nfs/dbraw/zinc/51/15/25/650511525.db2.gz HKLZUYAYMHNVEA-CHWSQXEVSA-N 2 2 274.368 0.822 20 30 CCEDLP C#CCC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001006299472 640218975 /nfs/dbraw/zinc/21/89/75/640218975.db2.gz NYJPMGZRRQXNNQ-UHFFFAOYSA-N 2 2 288.395 0.909 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996527 650672661 /nfs/dbraw/zinc/67/26/61/650672661.db2.gz LUYBRLLSKKXRGE-LBPRGKRZSA-N 2 2 262.357 0.729 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996527 650672662 /nfs/dbraw/zinc/67/26/62/650672662.db2.gz LUYBRLLSKKXRGE-LBPRGKRZSA-N 2 2 262.357 0.729 20 30 CCEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016339908 650719993 /nfs/dbraw/zinc/71/99/93/650719993.db2.gz SEKDKUMYVNFYBU-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001016339908 650719995 /nfs/dbraw/zinc/71/99/95/650719995.db2.gz SEKDKUMYVNFYBU-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001016339908 650719997 /nfs/dbraw/zinc/71/99/97/650719997.db2.gz SEKDKUMYVNFYBU-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001016339908 650720002 /nfs/dbraw/zinc/72/00/02/650720002.db2.gz SEKDKUMYVNFYBU-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001016947093 650773149 /nfs/dbraw/zinc/77/31/49/650773149.db2.gz JSNYRTCYFVHLOJ-CQSZACIVSA-N 2 2 286.379 0.865 20 30 CCEDLP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016995891 650776085 /nfs/dbraw/zinc/77/60/85/650776085.db2.gz VPRFAYLGIFAJGA-AWEZNQCLSA-N 2 2 286.379 0.877 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001017946429 650836971 /nfs/dbraw/zinc/83/69/71/650836971.db2.gz VUTYKSQCUQNVAI-CAOSSQGBSA-N 2 2 289.423 0.883 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001017946429 650836974 /nfs/dbraw/zinc/83/69/74/650836974.db2.gz VUTYKSQCUQNVAI-CAOSSQGBSA-N 2 2 289.423 0.883 20 30 CCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001017946429 650836977 /nfs/dbraw/zinc/83/69/77/650836977.db2.gz VUTYKSQCUQNVAI-CAOSSQGBSA-N 2 2 289.423 0.883 20 30 CCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001017946429 650836980 /nfs/dbraw/zinc/83/69/80/650836980.db2.gz VUTYKSQCUQNVAI-CAOSSQGBSA-N 2 2 289.423 0.883 20 30 CCEDLP C#CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000847002729 643477374 /nfs/dbraw/zinc/47/73/74/643477374.db2.gz INYSQGJQTFAXDK-CABCVRRESA-N 2 2 268.401 0.661 20 30 CCEDLP C#CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000847002729 643477379 /nfs/dbraw/zinc/47/73/79/643477379.db2.gz INYSQGJQTFAXDK-CABCVRRESA-N 2 2 268.401 0.661 20 30 CCEDLP C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000847002729 643477384 /nfs/dbraw/zinc/47/73/84/643477384.db2.gz INYSQGJQTFAXDK-CABCVRRESA-N 2 2 268.401 0.661 20 30 CCEDLP C#CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000847002729 643477391 /nfs/dbraw/zinc/47/73/91/643477391.db2.gz INYSQGJQTFAXDK-CABCVRRESA-N 2 2 268.401 0.661 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001018174379 650846752 /nfs/dbraw/zinc/84/67/52/650846752.db2.gz BKESGMQCUPWLEC-KFWWJZLASA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001018174379 650846754 /nfs/dbraw/zinc/84/67/54/650846754.db2.gz BKESGMQCUPWLEC-KFWWJZLASA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001018174379 650846756 /nfs/dbraw/zinc/84/67/56/650846756.db2.gz BKESGMQCUPWLEC-KFWWJZLASA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001018174379 650846760 /nfs/dbraw/zinc/84/67/60/650846760.db2.gz BKESGMQCUPWLEC-KFWWJZLASA-N 2 2 275.396 0.637 20 30 CCEDLP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)Cn1cc[nH+]c1 ZINC000852861162 644028875 /nfs/dbraw/zinc/02/88/75/644028875.db2.gz PQZIZNZMGSYGQA-CYBMUJFWSA-N 2 2 274.368 0.638 20 30 CCEDLP CNC(NCC1([NH+]2CCOCC2)CCCCC1)=[NH+]C ZINC000303262806 649813705 /nfs/dbraw/zinc/81/37/05/649813705.db2.gz QINYZFZBWHMSMK-UHFFFAOYSA-N 2 2 268.405 0.816 20 30 CCEDLP CC#CC[N@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266277056 790383236 /nfs/dbraw/zinc/38/32/36/790383236.db2.gz MCXFFLRLNISAOY-UHFFFAOYSA-N 2 2 288.395 0.833 20 30 CCEDLP CC#CC[N@@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266277056 790383247 /nfs/dbraw/zinc/38/32/47/790383247.db2.gz MCXFFLRLNISAOY-UHFFFAOYSA-N 2 2 288.395 0.833 20 30 CCEDLP C=CCOCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346563 790932804 /nfs/dbraw/zinc/93/28/04/790932804.db2.gz OWEPCXCTXVPPAU-UHFFFAOYSA-N 2 2 266.345 0.251 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001277602727 805889825 /nfs/dbraw/zinc/88/98/25/805889825.db2.gz FVYCMNNQVLZQMJ-AWEZNQCLSA-N 2 2 283.391 0.832 20 30 CCEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001122290233 799188618 /nfs/dbraw/zinc/18/86/18/799188618.db2.gz KAADWYPBFWDFCX-UHFFFAOYSA-N 2 2 286.379 0.923 20 30 CCEDLP C=CCn1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001139772933 799841844 /nfs/dbraw/zinc/84/18/44/799841844.db2.gz UWEVAEZFYCPGJB-UHFFFAOYSA-N 2 2 277.416 0.748 20 30 CCEDLP C=CCOCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571121 800277434 /nfs/dbraw/zinc/27/74/34/800277434.db2.gz PKVQEMQAQPUDMI-UHFFFAOYSA-N 2 2 280.372 0.261 20 30 CCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001278308330 806926635 /nfs/dbraw/zinc/92/66/35/806926635.db2.gz MTHZHMQLXCNQLE-CHWSQXEVSA-N 2 2 290.367 0.181 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160837397 802026382 /nfs/dbraw/zinc/02/63/82/802026382.db2.gz BTBPCAYAEDGCCI-UHFFFAOYSA-N 2 2 261.325 0.362 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161315720 802125252 /nfs/dbraw/zinc/12/52/52/802125252.db2.gz SIKWCJGJICUARR-LBPRGKRZSA-N 2 2 262.357 0.727 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427938 802338223 /nfs/dbraw/zinc/33/82/23/802338223.db2.gz SULFXXFQDCOMLL-UHFFFAOYSA-N 2 2 256.309 0.677 20 30 CCEDLP Cc1[nH+]c2c(n1-c1cc(C)nc(C#N)n1)CC[NH2+]CC2 ZINC001165353205 802825818 /nfs/dbraw/zinc/82/58/18/802825818.db2.gz MBQIZKBZRAIRAA-UHFFFAOYSA-N 2 2 268.324 0.839 20 30 CCEDLP C=CC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001276453569 803075598 /nfs/dbraw/zinc/07/55/98/803075598.db2.gz NFHYINMLBRKCAW-LLVKDONJSA-N 2 2 262.357 0.585 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213435184 803695032 /nfs/dbraw/zinc/69/50/32/803695032.db2.gz SSLZEGJFBIASDV-RBSFLKMASA-N 2 2 295.427 0.555 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213435184 803695035 /nfs/dbraw/zinc/69/50/35/803695035.db2.gz SSLZEGJFBIASDV-RBSFLKMASA-N 2 2 295.427 0.555 20 30 CCEDLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000402204190 803817154 /nfs/dbraw/zinc/81/71/54/803817154.db2.gz JKKRQSLPNMNXJS-YPMHNXCESA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000402204190 803817162 /nfs/dbraw/zinc/81/71/62/803817162.db2.gz JKKRQSLPNMNXJS-YPMHNXCESA-N 2 2 263.341 0.577 20 30 CCEDLP N#Cc1ccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1F ZINC001220449101 804606948 /nfs/dbraw/zinc/60/69/48/804606948.db2.gz JWIYEOCZCCYEAU-NFAWXSAZSA-N 2 2 288.326 0.535 20 30 CCEDLP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220596713 804635054 /nfs/dbraw/zinc/63/50/54/804635054.db2.gz GMXFMDJBROGNJA-HUUCEWRRSA-N 2 2 295.346 0.955 20 30 CCEDLP COCC#CC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001272152000 815031207 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C#CC[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001168357129 815119277 /nfs/dbraw/zinc/11/92/77/815119277.db2.gz XFCXBWCYTMPSEZ-UHFFFAOYSA-N 2 2 284.363 0.914 20 30 CCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CC)C[C@H]2C)C1 ZINC001248681875 807519977 /nfs/dbraw/zinc/51/99/77/807519977.db2.gz ORAPVLOTWXCJNK-CABCVRRESA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CC)C[C@H]2C)C1 ZINC001248681875 807519981 /nfs/dbraw/zinc/51/99/81/807519981.db2.gz ORAPVLOTWXCJNK-CABCVRRESA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC)C[C@H]2C)C1 ZINC001248681875 807519986 /nfs/dbraw/zinc/51/99/86/807519986.db2.gz ORAPVLOTWXCJNK-CABCVRRESA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC)C[C@H]2C)C1 ZINC001248681875 807519990 /nfs/dbraw/zinc/51/99/90/807519990.db2.gz ORAPVLOTWXCJNK-CABCVRRESA-N 2 2 292.427 0.820 20 30 CCEDLP C#CCOC[C@H](O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001251885609 807734568 /nfs/dbraw/zinc/73/45/68/807734568.db2.gz 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CCEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001317136237 909006253 /nfs/dbraw/zinc/00/62/53/909006253.db2.gz AMVDTZRYYBPTOE-CQSZACIVSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC001338450310 921471248 /nfs/dbraw/zinc/47/12/48/921471248.db2.gz UZFKUKZFINZELF-CYBMUJFWSA-N 2 2 253.390 0.692 20 30 CCEDLP CC#CC[N@H+](CC)CCNC(=O)CCc1c[nH+]cn1C ZINC001317491748 909262217 /nfs/dbraw/zinc/26/22/17/909262217.db2.gz ABFYHVAUVBVVIN-UHFFFAOYSA-N 2 2 276.384 0.814 20 30 CCEDLP CC#CC[N@@H+](CC)CCNC(=O)CCc1c[nH+]cn1C ZINC001317491748 909262228 /nfs/dbraw/zinc/26/22/28/909262228.db2.gz ABFYHVAUVBVVIN-UHFFFAOYSA-N 2 2 276.384 0.814 20 30 CCEDLP C#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001317555142 909328819 /nfs/dbraw/zinc/32/88/19/909328819.db2.gz OGXHFVLUPMORTL-AWEZNQCLSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001317555142 909328833 /nfs/dbraw/zinc/32/88/33/909328833.db2.gz OGXHFVLUPMORTL-AWEZNQCLSA-N 2 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C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)N1CC#N ZINC000602849227 362835480 /nfs/dbraw/zinc/83/54/80/362835480.db2.gz KFHMHWIOIKAKID-VNHYZAJKSA-N 2 2 280.416 0.360 20 30 CCEDLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H](C)N1CC#N ZINC000602849227 362835485 /nfs/dbraw/zinc/83/54/85/362835485.db2.gz KFHMHWIOIKAKID-VNHYZAJKSA-N 2 2 280.416 0.360 20 30 CCEDLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H](C)N1CC#N ZINC000602849227 362835489 /nfs/dbraw/zinc/83/54/89/362835489.db2.gz KFHMHWIOIKAKID-VNHYZAJKSA-N 2 2 280.416 0.360 20 30 CCEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000225313456 352001314 /nfs/dbraw/zinc/00/13/14/352001314.db2.gz VNDYNVUNFFLAFF-HNNXBMFYSA-N 2 2 258.369 0.894 20 30 CCEDLP COCC[N@@H+]1CC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425225599 235274724 /nfs/dbraw/zinc/27/47/24/235274724.db2.gz LSKPIVQLYQCCBZ-ZDUSSCGKSA-N 2 2 260.341 0.816 20 30 CCEDLP COCC[N@H+]1CC[C@H](Nc2cc(C)[nH+]cc2C#N)C1 ZINC000425225599 235274726 /nfs/dbraw/zinc/27/47/26/235274726.db2.gz LSKPIVQLYQCCBZ-ZDUSSCGKSA-N 2 2 260.341 0.816 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000273602904 192227318 /nfs/dbraw/zinc/22/73/18/192227318.db2.gz PGMJNYOICWDTNL-UHFFFAOYSA-N 2 2 286.379 0.929 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H](C)C2)CC1 ZINC000490779001 358290945 /nfs/dbraw/zinc/29/09/45/358290945.db2.gz QMJIFNQPKMJTTJ-CYBMUJFWSA-N 2 2 281.425 0.201 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H](C)C2)CC1 ZINC000490779001 358290946 /nfs/dbraw/zinc/29/09/46/358290946.db2.gz QMJIFNQPKMJTTJ-CYBMUJFWSA-N 2 2 281.425 0.201 20 30 CCEDLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435729 360304349 /nfs/dbraw/zinc/30/43/49/360304349.db2.gz JJWWNBXNELWJMI-ZDUSSCGKSA-N 2 2 282.388 0.188 20 30 CCEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441239 360309860 /nfs/dbraw/zinc/30/98/60/360309860.db2.gz PMZNQTQMYOHVRR-NWDGAFQWSA-N 2 2 263.345 0.799 20 30 CCEDLP Cc1cc(NCC[NH+](C)C)c(C#N)c(NCC[NH+](C)C)[nH+]1 ZINC000596056424 360783276 /nfs/dbraw/zinc/78/32/76/360783276.db2.gz ZQARKTNTSZCBRY-UHFFFAOYSA-N 3 2 290.415 0.631 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNc2cc(C#N)cnn2)CC1 ZINC000596149896 360811822 /nfs/dbraw/zinc/81/18/22/360811822.db2.gz BSLQFJHQTOQHHU-UHFFFAOYSA-N 2 2 274.372 0.208 20 30 CCEDLP CC[C@](C)(C#N)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989924 361298043 /nfs/dbraw/zinc/29/80/43/361298043.db2.gz NOHQNBIVSDKVAT-CQSZACIVSA-N 2 2 268.405 0.926 20 30 CCEDLP CC[C@](C)(C#N)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989924 361298047 /nfs/dbraw/zinc/29/80/47/361298047.db2.gz NOHQNBIVSDKVAT-CQSZACIVSA-N 2 2 268.405 0.926 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(C#N)c1 ZINC000597989246 361298298 /nfs/dbraw/zinc/29/82/98/361298298.db2.gz AIAAUCFZOKLRHB-UHFFFAOYSA-N 2 2 289.383 0.567 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(C#N)c1 ZINC000597989246 361298300 /nfs/dbraw/zinc/29/83/00/361298300.db2.gz AIAAUCFZOKLRHB-UHFFFAOYSA-N 2 2 289.383 0.567 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000598729186 361499766 /nfs/dbraw/zinc/49/97/66/361499766.db2.gz HIELQUSEMIPHLV-KBPBESRZSA-N 2 2 283.416 0.724 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000598729186 361499772 /nfs/dbraw/zinc/49/97/72/361499772.db2.gz HIELQUSEMIPHLV-KBPBESRZSA-N 2 2 283.416 0.724 20 30 CCEDLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730624 361500782 /nfs/dbraw/zinc/50/07/82/361500782.db2.gz XUCWMCBQWKVKKR-LBPRGKRZSA-N 2 2 257.378 0.191 20 30 CCEDLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730624 361500785 /nfs/dbraw/zinc/50/07/85/361500785.db2.gz XUCWMCBQWKVKKR-LBPRGKRZSA-N 2 2 257.378 0.191 20 30 CCEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613209628 364162500 /nfs/dbraw/zinc/16/25/00/364162500.db2.gz BISKXMNKIFROBZ-BFHYXJOUSA-N 2 2 263.385 0.727 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569305 369714833 /nfs/dbraw/zinc/71/48/33/369714833.db2.gz WTGXJPDMLOFOAH-UWVGGRQHSA-N 2 2 279.306 0.748 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569305 369714834 /nfs/dbraw/zinc/71/48/34/369714834.db2.gz WTGXJPDMLOFOAH-UWVGGRQHSA-N 2 2 279.306 0.748 20 30 CCEDLP CC#CC[NH2+]Cc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630608021 370205568 /nfs/dbraw/zinc/20/55/68/370205568.db2.gz SJGHEDIJWJDUFS-UHFFFAOYSA-N 2 2 255.325 0.839 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000293712041 388987098 /nfs/dbraw/zinc/98/70/98/388987098.db2.gz DYGNTEPWYWRBFP-LBPRGKRZSA-N 2 2 260.341 0.729 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000293712041 388987101 /nfs/dbraw/zinc/98/71/01/388987101.db2.gz DYGNTEPWYWRBFP-LBPRGKRZSA-N 2 2 260.341 0.729 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000337147522 389048263 /nfs/dbraw/zinc/04/82/63/389048263.db2.gz ZDKCUCXTAITFPG-AWEZNQCLSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCN1CC[C@H]([N@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000337147522 389048266 /nfs/dbraw/zinc/04/82/66/389048266.db2.gz ZDKCUCXTAITFPG-AWEZNQCLSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CCN(c3[nH+]ccn3C)CC2)C1=O ZINC000337180373 389050826 /nfs/dbraw/zinc/05/08/26/389050826.db2.gz LUESCEALELGZGG-ZDUSSCGKSA-N 2 2 289.383 0.329 20 30 CCEDLP C#CC[NH+](CC#C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093475522 389036527 /nfs/dbraw/zinc/03/65/27/389036527.db2.gz KRCNEAHWLPKAKH-UHFFFAOYSA-N 2 2 283.379 0.297 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000338962133 389119766 /nfs/dbraw/zinc/11/97/66/389119766.db2.gz DZOBLJWAZCXAAB-UHFFFAOYSA-N 2 2 283.416 0.675 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129360337 389186526 /nfs/dbraw/zinc/18/65/26/389186526.db2.gz MMDUXUNGJASHCZ-UONOGXRCSA-N 2 2 281.400 0.331 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246150445 389224681 /nfs/dbraw/zinc/22/46/81/389224681.db2.gz FMZWHFWXQLREOU-KGLIPLIRSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246150445 389224683 /nfs/dbraw/zinc/22/46/83/389224683.db2.gz FMZWHFWXQLREOU-KGLIPLIRSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150802640 389274657 /nfs/dbraw/zinc/27/46/57/389274657.db2.gz FMZWHFWXQLREOU-ZIAGYGMSSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150802640 389274659 /nfs/dbraw/zinc/27/46/59/389274659.db2.gz FMZWHFWXQLREOU-ZIAGYGMSSA-N 2 2 263.385 0.542 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158665623 389349005 /nfs/dbraw/zinc/34/90/05/389349005.db2.gz XYMGLIHPJJQTNZ-OLZOCXBDSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158665623 389349011 /nfs/dbraw/zinc/34/90/11/389349011.db2.gz XYMGLIHPJJQTNZ-OLZOCXBDSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158665623 389349017 /nfs/dbraw/zinc/34/90/17/389349017.db2.gz XYMGLIHPJJQTNZ-OLZOCXBDSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158665623 389349019 /nfs/dbraw/zinc/34/90/19/389349019.db2.gz XYMGLIHPJJQTNZ-OLZOCXBDSA-N 2 2 294.399 0.414 20 30 CCEDLP C=CC[N@@H+](C)CCN(CC)C[C@H](O)C[NH+]1CCOCC1 ZINC000411639152 389440261 /nfs/dbraw/zinc/44/02/61/389440261.db2.gz INYUSKXOENXOCF-HNNXBMFYSA-N 2 2 285.432 0.119 20 30 CCEDLP C=CC[N@H+](C)CCN(CC)C[C@H](O)C[NH+]1CCOCC1 ZINC000411639152 389440265 /nfs/dbraw/zinc/44/02/65/389440265.db2.gz INYUSKXOENXOCF-HNNXBMFYSA-N 2 2 285.432 0.119 20 30 CCEDLP C=CC[C@H](CO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414371534 389614016 /nfs/dbraw/zinc/61/40/16/389614016.db2.gz YNRPYOAJLHCOOM-NSHDSACASA-N 2 2 252.362 0.760 20 30 CCEDLP C=CCN(CC=C)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430586922 389809552 /nfs/dbraw/zinc/80/95/52/389809552.db2.gz XQFKRUGOQKRNOH-CQSZACIVSA-N 2 2 251.374 0.904 20 30 CCEDLP C[N@@H+]1CCN(C(=O)NCC2CCC(C#N)CC2)[C@@H](C[NH3+])C1 ZINC000569947003 390716894 /nfs/dbraw/zinc/71/68/94/390716894.db2.gz KGCITVJJJNLTIJ-RUXDESIVSA-N 2 2 293.415 0.601 20 30 CCEDLP C[N@H+]1CCN(C(=O)NCC2CCC(C#N)CC2)[C@@H](C[NH3+])C1 ZINC000569947003 390716895 /nfs/dbraw/zinc/71/68/95/390716895.db2.gz KGCITVJJJNLTIJ-RUXDESIVSA-N 2 2 293.415 0.601 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000266125604 131687676 /nfs/dbraw/zinc/68/76/76/131687676.db2.gz PWZAAPGSXZNXBL-NSHDSACASA-N 2 2 282.388 0.461 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320507 414709287 /nfs/dbraw/zinc/70/92/87/414709287.db2.gz UXOJMRQIBQWFJS-KGLIPLIRSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320507 414709288 /nfs/dbraw/zinc/70/92/88/414709288.db2.gz UXOJMRQIBQWFJS-KGLIPLIRSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250511951 544923031 /nfs/dbraw/zinc/92/30/31/544923031.db2.gz CBAIXBZIQSAFDB-CHWSQXEVSA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250511951 544923036 /nfs/dbraw/zinc/92/30/36/544923036.db2.gz CBAIXBZIQSAFDB-CHWSQXEVSA-N 2 2 251.374 0.753 20 30 CCEDLP COCCNC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000161524021 261249950 /nfs/dbraw/zinc/24/99/50/261249950.db2.gz WGVLRMXTSUIPPG-ZDUSSCGKSA-N 2 2 282.363 0.979 20 30 CCEDLP C#CCC[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000364306752 262198495 /nfs/dbraw/zinc/19/84/95/262198495.db2.gz LOSKEZDKNNSASB-IYBDPMFKSA-N 2 2 277.412 0.491 20 30 CCEDLP C#CCC[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000364306752 262198497 /nfs/dbraw/zinc/19/84/97/262198497.db2.gz LOSKEZDKNNSASB-IYBDPMFKSA-N 2 2 277.412 0.491 20 30 CCEDLP CNC(=O)NC(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331256565 264183342 /nfs/dbraw/zinc/18/33/42/264183342.db2.gz ZRAKUBXJKAILKH-UHFFFAOYSA-N 2 2 279.344 0.639 20 30 CCEDLP Cc1cc(NCCC[NH+]2CCOCC2)c(C#N)c[nH+]1 ZINC000399423033 267299670 /nfs/dbraw/zinc/29/96/70/267299670.db2.gz GAUMHNLIRFZWRY-UHFFFAOYSA-N 2 2 260.341 0.818 20 30 CCEDLP CCCNC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267032905 328172007 /nfs/dbraw/zinc/17/20/07/328172007.db2.gz VWLHQFZRNXHYIX-UHFFFAOYSA-N 2 2 292.383 0.911 20 30 CCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCO)cc1 ZINC000271868994 328198580 /nfs/dbraw/zinc/19/85/80/328198580.db2.gz JZQZIWKGUCWVHJ-UHFFFAOYSA-N 2 2 251.330 0.768 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582785566 329194964 /nfs/dbraw/zinc/19/49/64/329194964.db2.gz HDLINDSJIVSPDU-AWEZNQCLSA-N 2 2 280.372 0.074 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582785566 329194965 /nfs/dbraw/zinc/19/49/65/329194965.db2.gz HDLINDSJIVSPDU-AWEZNQCLSA-N 2 2 280.372 0.074 20 30 CCEDLP [NH2+]=C(NCC[NH+]1CCSCC1)NC[C@@H]1CCCO1 ZINC000262334221 330006653 /nfs/dbraw/zinc/00/66/53/330006653.db2.gz WLCMVJCLRAYITL-NSHDSACASA-N 2 2 272.418 0.119 20 30 CCEDLP C[C@H]([C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424157108 330304554 /nfs/dbraw/zinc/30/45/54/330304554.db2.gz PFBAXEJSQIHNQI-XQQFMLRXSA-N 2 2 282.388 0.233 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000490761058 332113288 /nfs/dbraw/zinc/11/32/88/332113288.db2.gz RGEVQHDNBVTWDZ-HUUCEWRRSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)CCC(C)C)CC1 ZINC000490778429 332114394 /nfs/dbraw/zinc/11/43/94/332114394.db2.gz FSOVUIPQNKUJCR-UHFFFAOYSA-N 2 2 294.399 0.698 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)OC)CC1 ZINC000490854007 332121148 /nfs/dbraw/zinc/12/11/48/332121148.db2.gz WZJLMRKJMFMJMW-UHFFFAOYSA-N 2 2 281.400 0.121 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)OC)CC1 ZINC000490854007 332121149 /nfs/dbraw/zinc/12/11/49/332121149.db2.gz WZJLMRKJMFMJMW-UHFFFAOYSA-N 2 2 281.400 0.121 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC(C)C)C2CC2)CC1 ZINC000490865345 332121270 /nfs/dbraw/zinc/12/12/70/332121270.db2.gz BCLDXXQQQIPRQF-UHFFFAOYSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC(C)C)C2CC2)CC1 ZINC000490865345 332121272 /nfs/dbraw/zinc/12/12/72/332121272.db2.gz BCLDXXQQQIPRQF-UHFFFAOYSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CCNC(=O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000491067496 332144764 /nfs/dbraw/zinc/14/47/64/332144764.db2.gz IMSXQDMEEYPTHD-UHFFFAOYSA-N 2 2 274.368 0.735 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](OC)C2(C)C)CC1 ZINC000491326639 332190660 /nfs/dbraw/zinc/19/06/60/332190660.db2.gz OUFRTBQMPKONOZ-KBPBESRZSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)CC1 ZINC000491382552 332201326 /nfs/dbraw/zinc/20/13/26/332201326.db2.gz IUBAHBHLBYNOLQ-SOUVJXGZSA-N 2 2 277.412 0.740 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)CC1 ZINC000491382552 332201328 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ZVJJYHZXAINDBW-HNNXBMFYSA-N 2 2 293.411 0.001 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCF)C1 ZINC000971703389 613197234 /nfs/dbraw/zinc/19/72/34/613197234.db2.gz GPNWQVRUUYLECI-KBPBESRZSA-N 2 2 281.375 0.586 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCF)C1 ZINC000971703389 613197235 /nfs/dbraw/zinc/19/72/35/613197235.db2.gz GPNWQVRUUYLECI-KBPBESRZSA-N 2 2 281.375 0.586 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCF)C1 ZINC000971703389 613197236 /nfs/dbraw/zinc/19/72/36/613197236.db2.gz GPNWQVRUUYLECI-KBPBESRZSA-N 2 2 281.375 0.586 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCF)C1 ZINC000971703389 613197237 /nfs/dbraw/zinc/19/72/37/613197237.db2.gz GPNWQVRUUYLECI-KBPBESRZSA-N 2 2 281.375 0.586 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977594567 613280456 /nfs/dbraw/zinc/28/04/56/613280456.db2.gz KMBYEQVXZSEAHW-CYBMUJFWSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977594567 613280457 /nfs/dbraw/zinc/28/04/57/613280457.db2.gz KMBYEQVXZSEAHW-CYBMUJFWSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958179521 613294629 /nfs/dbraw/zinc/29/46/29/613294629.db2.gz OGBPMKMXZBYSMZ-WFASDCNBSA-N 2 2 298.346 0.219 20 30 CCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958179521 613294631 /nfs/dbraw/zinc/29/46/31/613294631.db2.gz OGBPMKMXZBYSMZ-WFASDCNBSA-N 2 2 298.346 0.219 20 30 CCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000972857457 613298018 /nfs/dbraw/zinc/29/80/18/613298018.db2.gz HASUNRCMKNDYCB-STQMWFEESA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000972857457 613298020 /nfs/dbraw/zinc/29/80/20/613298020.db2.gz HASUNRCMKNDYCB-STQMWFEESA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972857457 613298022 /nfs/dbraw/zinc/29/80/22/613298022.db2.gz HASUNRCMKNDYCB-STQMWFEESA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000972857457 613298023 /nfs/dbraw/zinc/29/80/23/613298023.db2.gz HASUNRCMKNDYCB-STQMWFEESA-N 2 2 263.385 0.540 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000912394625 613364731 /nfs/dbraw/zinc/36/47/31/613364731.db2.gz UVGKQLSQEMVAJZ-KGLIPLIRSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000912394625 613364732 /nfs/dbraw/zinc/36/47/32/613364732.db2.gz UVGKQLSQEMVAJZ-KGLIPLIRSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000876756776 613390311 /nfs/dbraw/zinc/39/03/11/613390311.db2.gz YCMGSAYEMBNVHJ-UTUOFQBUSA-N 2 2 289.807 0.682 20 30 CCEDLP CC#CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000801154529 613516670 /nfs/dbraw/zinc/51/66/70/613516670.db2.gz IKBUDFILPFXWCQ-CQSZACIVSA-N 2 2 263.385 0.637 20 30 CCEDLP CC#CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000801154529 613516672 /nfs/dbraw/zinc/51/66/72/613516672.db2.gz IKBUDFILPFXWCQ-CQSZACIVSA-N 2 2 263.385 0.637 20 30 CCEDLP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC#CC ZINC000930590774 613524279 /nfs/dbraw/zinc/52/42/79/613524279.db2.gz YOCDHJYEWNXNHT-AWEZNQCLSA-N 2 2 263.385 0.401 20 30 CCEDLP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC#CC ZINC000930590774 613524283 /nfs/dbraw/zinc/52/42/83/613524283.db2.gz YOCDHJYEWNXNHT-AWEZNQCLSA-N 2 2 263.385 0.401 20 30 CCEDLP CC#CC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC#CC ZINC000930590774 613524286 /nfs/dbraw/zinc/52/42/86/613524286.db2.gz YOCDHJYEWNXNHT-AWEZNQCLSA-N 2 2 263.385 0.401 20 30 CCEDLP CC#CC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC#CC ZINC000930590774 613524290 /nfs/dbraw/zinc/52/42/90/613524290.db2.gz YOCDHJYEWNXNHT-AWEZNQCLSA-N 2 2 263.385 0.401 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865129 613849620 /nfs/dbraw/zinc/84/96/20/613849620.db2.gz ATKCBLPYOASHBM-OAHLLOKOSA-N 2 2 294.399 0.464 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865129 613849621 /nfs/dbraw/zinc/84/96/21/613849621.db2.gz ATKCBLPYOASHBM-OAHLLOKOSA-N 2 2 294.399 0.464 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970013652 613864901 /nfs/dbraw/zinc/86/49/01/613864901.db2.gz ZQBPXCZRFYUOKB-JHJVBQTASA-N 2 2 274.368 0.900 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)C1CC[NH2+]CC1 ZINC000884175586 613877498 /nfs/dbraw/zinc/87/74/98/613877498.db2.gz YFTNZSJQPJWWEU-ZDUSSCGKSA-N 2 2 297.399 0.424 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000884024934 613877562 /nfs/dbraw/zinc/87/75/62/613877562.db2.gz IHFONDSZAKBPKV-JQWIXIFHSA-N 2 2 283.372 0.019 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000884270085 613877897 /nfs/dbraw/zinc/87/78/97/613877897.db2.gz GHUYORALWZEHAR-TUAOUCFPSA-N 2 2 283.372 0.019 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884192568 613878290 /nfs/dbraw/zinc/87/82/90/613878290.db2.gz IZOGYPGKDVXIKW-YPMHNXCESA-N 2 2 295.383 0.034 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000884192568 613878291 /nfs/dbraw/zinc/87/82/91/613878291.db2.gz IZOGYPGKDVXIKW-YPMHNXCESA-N 2 2 295.383 0.034 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000884455844 613878411 /nfs/dbraw/zinc/87/84/11/613878411.db2.gz VAIBEPXLYZILFX-RYUDHWBXSA-N 2 2 297.399 0.327 20 30 CCEDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000852122832 614144050 /nfs/dbraw/zinc/14/40/50/614144050.db2.gz CHLFNLGDMCWYCI-CQSZACIVSA-N 2 2 283.416 0.988 20 30 CCEDLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000877432706 615926794 /nfs/dbraw/zinc/92/67/94/615926794.db2.gz FRFSSXCSBDSAJD-QWHCGFSZSA-N 2 2 282.388 0.235 20 30 CCEDLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000877432706 615926795 /nfs/dbraw/zinc/92/67/95/615926795.db2.gz FRFSSXCSBDSAJD-QWHCGFSZSA-N 2 2 282.388 0.235 20 30 CCEDLP COCC[N@H+](C)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000104183625 616951320 /nfs/dbraw/zinc/95/13/20/616951320.db2.gz RSLWJAQGVPHOGM-GFCCVEGCSA-N 2 2 256.394 0.611 20 30 CCEDLP COCC[N@@H+](C)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000104183625 616951324 /nfs/dbraw/zinc/95/13/24/616951324.db2.gz RSLWJAQGVPHOGM-GFCCVEGCSA-N 2 2 256.394 0.611 20 30 CCEDLP CCNC(NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)=[NH+]CC ZINC000066245099 623443747 /nfs/dbraw/zinc/44/37/47/623443747.db2.gz PAQCWTKNUQWXMT-AWEZNQCLSA-N 2 2 283.464 0.833 20 30 CCEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388726 625864767 /nfs/dbraw/zinc/86/47/67/625864767.db2.gz SNUAKWFZZSPHHG-CYBMUJFWSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388726 625864770 /nfs/dbraw/zinc/86/47/70/625864770.db2.gz SNUAKWFZZSPHHG-CYBMUJFWSA-N 2 2 274.368 0.898 20 30 CCEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCC(O)CC1 ZINC000261868041 631662528 /nfs/dbraw/zinc/66/25/28/631662528.db2.gz NSGROZKVNMKMOC-UHFFFAOYSA-N 2 2 254.378 0.114 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007500822 650080288 /nfs/dbraw/zinc/08/02/88/650080288.db2.gz VYHHVECGFILZAO-KGLIPLIRSA-N 2 2 286.379 0.974 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007500822 650080291 /nfs/dbraw/zinc/08/02/91/650080291.db2.gz VYHHVECGFILZAO-KGLIPLIRSA-N 2 2 286.379 0.974 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000987343503 632858906 /nfs/dbraw/zinc/85/89/06/632858906.db2.gz WFMKOFKBNGQQFZ-AAEUAGOBSA-N 2 2 260.341 0.175 20 30 CCEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924838358 636236650 /nfs/dbraw/zinc/23/66/50/636236650.db2.gz DCTLXJSRUFLZRC-LBPRGKRZSA-N 2 2 266.389 0.678 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014985771 637279417 /nfs/dbraw/zinc/27/94/17/637279417.db2.gz YXTPYIULTJXSQS-STQMWFEESA-N 2 2 272.352 0.269 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014985771 637279424 /nfs/dbraw/zinc/27/94/24/637279424.db2.gz YXTPYIULTJXSQS-STQMWFEESA-N 2 2 272.352 0.269 20 30 CCEDLP C=CC[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997180728 638858542 /nfs/dbraw/zinc/85/85/42/638858542.db2.gz UKGIWOIXIBLKIA-UHFFFAOYSA-N 2 2 262.357 0.729 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001000243572 639062349 /nfs/dbraw/zinc/06/23/49/639062349.db2.gz DKIGQMUDKHKPHA-BFHYXJOUSA-N 2 2 286.379 0.737 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC=C)C1 ZINC001014780288 650488041 /nfs/dbraw/zinc/48/80/41/650488041.db2.gz RQHSUVVOQJOMEB-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC=C)C1 ZINC001014780288 650488042 /nfs/dbraw/zinc/48/80/42/650488042.db2.gz RQHSUVVOQJOMEB-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC=C)C1 ZINC001014780288 650488044 /nfs/dbraw/zinc/48/80/44/650488044.db2.gz RQHSUVVOQJOMEB-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC=C)C1 ZINC001014780288 650488046 /nfs/dbraw/zinc/48/80/46/650488046.db2.gz RQHSUVVOQJOMEB-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014953740 650507810 /nfs/dbraw/zinc/50/78/10/650507810.db2.gz GOQAMKRSENUCBQ-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014953740 650507811 /nfs/dbraw/zinc/50/78/11/650507811.db2.gz GOQAMKRSENUCBQ-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014953740 650507812 /nfs/dbraw/zinc/50/78/12/650507812.db2.gz GOQAMKRSENUCBQ-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014953740 650507813 /nfs/dbraw/zinc/50/78/13/650507813.db2.gz GOQAMKRSENUCBQ-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C[C@H](CC#N)N[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755806196 640337264 /nfs/dbraw/zinc/33/72/64/640337264.db2.gz ZMUPEJALGCTHRL-GFCCVEGCSA-N 2 2 287.371 0.454 20 30 CCEDLP Cc1cn2cc(NC(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)ccc2[nH+]1 ZINC000841099980 642803551 /nfs/dbraw/zinc/80/35/51/642803551.db2.gz QXQGBPYJUOURFL-ZYHUDNBSSA-N 2 2 284.323 0.876 20 30 CCEDLP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017440173 650802607 /nfs/dbraw/zinc/80/26/07/650802607.db2.gz FKYGPOBMGHEEFW-QLFBSQMISA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017440173 650802610 /nfs/dbraw/zinc/80/26/10/650802610.db2.gz FKYGPOBMGHEEFW-QLFBSQMISA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017440173 650802613 /nfs/dbraw/zinc/80/26/13/650802613.db2.gz FKYGPOBMGHEEFW-QLFBSQMISA-N 2 2 291.395 0.016 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017440173 650802615 /nfs/dbraw/zinc/80/26/15/650802615.db2.gz FKYGPOBMGHEEFW-QLFBSQMISA-N 2 2 291.395 0.016 20 30 CCEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018067136 650841659 /nfs/dbraw/zinc/84/16/59/650841659.db2.gz QCLRLEPHBSQJGU-GASCZTMLSA-N 2 2 293.411 0.570 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018067136 650841661 /nfs/dbraw/zinc/84/16/61/650841661.db2.gz QCLRLEPHBSQJGU-GASCZTMLSA-N 2 2 293.411 0.570 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)C#CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000852902398 644051197 /nfs/dbraw/zinc/05/11/97/644051197.db2.gz FKTALOGMLNWGLK-ZIAGYGMSSA-N 2 2 293.411 0.215 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)C#CC2CC[NH2+]CC2)[C@H](C)CO1 ZINC000852902398 644051201 /nfs/dbraw/zinc/05/12/01/644051201.db2.gz FKTALOGMLNWGLK-ZIAGYGMSSA-N 2 2 293.411 0.215 20 30 CCEDLP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])N2CCOCC2)C[C@H](C)O1 ZINC000104158944 648203405 /nfs/dbraw/zinc/20/34/05/648203405.db2.gz TVCZPLFTOKYWNK-STQMWFEESA-N 2 2 298.431 0.521 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114956315 790363378 /nfs/dbraw/zinc/36/33/78/790363378.db2.gz FEVOMZOQWQWPCT-SPWCGHHHSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114956315 790363391 /nfs/dbraw/zinc/36/33/91/790363391.db2.gz FEVOMZOQWQWPCT-SPWCGHHHSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114956315 790363405 /nfs/dbraw/zinc/36/34/05/790363405.db2.gz FEVOMZOQWQWPCT-SPWCGHHHSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114956315 790363419 /nfs/dbraw/zinc/36/34/19/790363419.db2.gz FEVOMZOQWQWPCT-SPWCGHHHSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266537278 790892465 /nfs/dbraw/zinc/89/24/65/790892465.db2.gz HTYAKYWDOZDCME-OLZOCXBDSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266537278 790892483 /nfs/dbraw/zinc/89/24/83/790892483.db2.gz HTYAKYWDOZDCME-OLZOCXBDSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266537278 790892493 /nfs/dbraw/zinc/89/24/93/790892493.db2.gz HTYAKYWDOZDCME-OLZOCXBDSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266537278 790892508 /nfs/dbraw/zinc/89/25/08/790892508.db2.gz HTYAKYWDOZDCME-OLZOCXBDSA-N 2 2 274.368 0.660 20 30 CCEDLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000402168541 791093201 /nfs/dbraw/zinc/09/32/01/791093201.db2.gz AOZSWJCAFBEEEA-WCQYABFASA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000402168541 791093205 /nfs/dbraw/zinc/09/32/05/791093205.db2.gz AOZSWJCAFBEEEA-WCQYABFASA-N 2 2 263.341 0.577 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038137048 791161646 /nfs/dbraw/zinc/16/16/46/791161646.db2.gz NSDUGJGZAWTSPO-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038137048 791161632 /nfs/dbraw/zinc/16/16/32/791161632.db2.gz NSDUGJGZAWTSPO-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038137048 791161637 /nfs/dbraw/zinc/16/16/37/791161637.db2.gz NSDUGJGZAWTSPO-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038137048 791161643 /nfs/dbraw/zinc/16/16/43/791161643.db2.gz NSDUGJGZAWTSPO-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C[NH+](C)CCN1CC2(C1)CCC[N@H+](CCC#N)C2 ZINC001277939407 806411194 /nfs/dbraw/zinc/41/11/94/806411194.db2.gz QUOCYSMXKYORTB-UHFFFAOYSA-N 2 2 250.390 0.859 20 30 CCEDLP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](CCC#N)C2 ZINC001277939407 806411200 /nfs/dbraw/zinc/41/12/00/806411200.db2.gz QUOCYSMXKYORTB-UHFFFAOYSA-N 2 2 250.390 0.859 20 30 CCEDLP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CC[NH3+])CC2 ZINC001235576282 806461784 /nfs/dbraw/zinc/46/17/84/806461784.db2.gz SSDQVZLQICTDSE-CQSZACIVSA-N 2 2 251.374 0.978 20 30 CCEDLP C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC[NH3+])CC2 ZINC001235576282 806461787 /nfs/dbraw/zinc/46/17/87/806461787.db2.gz SSDQVZLQICTDSE-CQSZACIVSA-N 2 2 251.374 0.978 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857207 799748199 /nfs/dbraw/zinc/74/81/99/799748199.db2.gz PKPDWXQKYUMFOE-OLZOCXBDSA-N 2 2 286.379 0.993 20 30 CCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149654372 800287852 /nfs/dbraw/zinc/28/78/52/800287852.db2.gz WDWFRAFVJOLSES-CYBMUJFWSA-N 2 2 290.367 0.183 20 30 CCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149654372 800287855 /nfs/dbraw/zinc/28/78/55/800287855.db2.gz WDWFRAFVJOLSES-CYBMUJFWSA-N 2 2 290.367 0.183 20 30 CCEDLP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156012000 801093869 /nfs/dbraw/zinc/09/38/69/801093869.db2.gz XIIZEAKSXXQKAT-CYBMUJFWSA-N 2 2 292.383 0.429 20 30 CCEDLP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156012000 801093872 /nfs/dbraw/zinc/09/38/72/801093872.db2.gz XIIZEAKSXXQKAT-CYBMUJFWSA-N 2 2 292.383 0.429 20 30 CCEDLP Cc1cc(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1C ZINC001158203526 801591011 /nfs/dbraw/zinc/59/10/11/801591011.db2.gz CHINSTMXCOQTEC-GFCCVEGCSA-N 2 2 271.324 0.618 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158486282 801656373 /nfs/dbraw/zinc/65/63/73/801656373.db2.gz IYVZUSRKNPKVRW-UHFFFAOYSA-N 2 2 288.395 0.881 20 30 CCEDLP N#C[C@@H]1CN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCO1 ZINC001160877809 802039964 /nfs/dbraw/zinc/03/99/64/802039964.db2.gz CTSUAEWVBBBRIP-CHWSQXEVSA-N 2 2 274.324 0.010 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163275014 802526327 /nfs/dbraw/zinc/52/63/27/802526327.db2.gz NDIIGQUOCIJEHM-HNNXBMFYSA-N 2 2 293.411 0.216 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163275014 802526330 /nfs/dbraw/zinc/52/63/30/802526330.db2.gz NDIIGQUOCIJEHM-HNNXBMFYSA-N 2 2 293.411 0.216 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001163274872 802526723 /nfs/dbraw/zinc/52/67/23/802526723.db2.gz IYYPTXMCRIRIAI-HNNXBMFYSA-N 2 2 295.427 0.607 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001163274872 802526730 /nfs/dbraw/zinc/52/67/30/802526730.db2.gz IYYPTXMCRIRIAI-HNNXBMFYSA-N 2 2 295.427 0.607 20 30 CCEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001276407391 803024140 /nfs/dbraw/zinc/02/41/40/803024140.db2.gz ZQRDLPNELGKCOD-ZDUSSCGKSA-N 2 2 274.368 0.733 20 30 CCEDLP N#Cc1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205688476 803155873 /nfs/dbraw/zinc/15/58/73/803155873.db2.gz IMFGAAGDKHQZEU-CQSZACIVSA-N 2 2 260.341 0.629 20 30 CCEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205688476 803155875 /nfs/dbraw/zinc/15/58/75/803155875.db2.gz IMFGAAGDKHQZEU-CQSZACIVSA-N 2 2 260.341 0.629 20 30 CCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207925266 803467859 /nfs/dbraw/zinc/46/78/59/803467859.db2.gz ZGCMCYFLYDDNMU-ZDUSSCGKSA-N 2 2 274.368 0.946 20 30 CCEDLP C=CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001276686235 803654513 /nfs/dbraw/zinc/65/45/13/803654513.db2.gz FTMUGHKORJRPGW-CYBMUJFWSA-N 2 2 262.357 0.633 20 30 CCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213979697 803709361 /nfs/dbraw/zinc/70/93/61/803709361.db2.gz DYACWESYZIBOPW-ZIAGYGMSSA-N 2 2 292.383 0.665 20 30 CCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213979697 803709367 /nfs/dbraw/zinc/70/93/67/803709367.db2.gz DYACWESYZIBOPW-ZIAGYGMSSA-N 2 2 292.383 0.665 20 30 CCEDLP N#Cc1cnc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(Br)c1 ZINC001218551581 804002419 /nfs/dbraw/zinc/00/24/19/804002419.db2.gz HXKPONCPERHFSZ-QMMMGPOBSA-N 2 2 298.144 0.330 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)Nc1cccnc1N1CC[NH+](C)CC1 ZINC001218554810 804002508 /nfs/dbraw/zinc/00/25/08/804002508.db2.gz HTXIYOBEPYDLAA-HNNXBMFYSA-N 2 2 287.367 0.123 20 30 CCEDLP N#Cc1oc2ccccc2c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218628777 804046370 /nfs/dbraw/zinc/04/63/70/804046370.db2.gz PVDPHXDVTIZNHX-SCZZXKLOSA-N 2 2 270.292 0.932 20 30 CCEDLP Cc1ncc(C#N)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218659191 804068949 /nfs/dbraw/zinc/06/89/49/804068949.db2.gz NSIYSXMBDVHVJY-LBPRGKRZSA-N 2 2 284.323 0.504 20 30 CCEDLP N#Cc1ncc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1C(F)(F)F ZINC001218658811 804069583 /nfs/dbraw/zinc/06/95/83/804069583.db2.gz JJUBOAMQMIHLNX-CBAPKCEASA-N 2 2 299.256 0.457 20 30 CCEDLP N#Cc1cc(F)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(Cl)c1 ZINC001218994673 804178725 /nfs/dbraw/zinc/17/87/25/804178725.db2.gz KIGZFMSSZUCIRM-XVKPBYJWSA-N 2 2 282.706 0.836 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543346 804344154 /nfs/dbraw/zinc/34/41/54/804344154.db2.gz IHGSUYQIYYFDDJ-NEPJUHHUSA-N 2 2 278.356 0.080 20 30 CCEDLP 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C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000081644178 349278560 /nfs/dbraw/zinc/27/85/60/349278560.db2.gz WBAHKVXKLQQLHH-CQSZACIVSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[N@@H+](C)CCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298936633 353978454 /nfs/dbraw/zinc/97/84/54/353978454.db2.gz PIPISKMOWRKVBH-GFCCVEGCSA-N 2 2 277.372 0.636 20 30 CCEDLP C#CC[N@H+](C)CCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298936633 353978458 /nfs/dbraw/zinc/97/84/58/353978458.db2.gz PIPISKMOWRKVBH-GFCCVEGCSA-N 2 2 277.372 0.636 20 30 CCEDLP C#CC[N@@H+](C)CCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298936633 353978461 /nfs/dbraw/zinc/97/84/61/353978461.db2.gz PIPISKMOWRKVBH-GFCCVEGCSA-N 2 2 277.372 0.636 20 30 CCEDLP C#CC[N@H+](C)CCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298936633 353978463 /nfs/dbraw/zinc/97/84/63/353978463.db2.gz PIPISKMOWRKVBH-GFCCVEGCSA-N 2 2 277.372 0.636 20 30 CCEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000619716287 366334040 /nfs/dbraw/zinc/33/40/40/366334040.db2.gz HNBOMXIRMGVODY-CQSZACIVSA-N 2 2 282.384 0.758 20 30 CCEDLP C=CC[C@@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655754458 412654108 /nfs/dbraw/zinc/65/41/08/412654108.db2.gz WMFJLEWFYUGOLV-UONOGXRCSA-N 2 2 254.374 0.766 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471199 359849668 /nfs/dbraw/zinc/84/96/68/359849668.db2.gz IUZKVYVLKMAGEQ-UHFFFAOYSA-N 2 2 280.372 0.215 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471199 359849672 /nfs/dbraw/zinc/84/96/72/359849672.db2.gz IUZKVYVLKMAGEQ-UHFFFAOYSA-N 2 2 280.372 0.215 20 30 CCEDLP CC[C@H](C#N)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000593505052 360101086 /nfs/dbraw/zinc/10/10/86/360101086.db2.gz IWIFBBUROLIUNZ-GFCCVEGCSA-N 2 2 266.389 0.678 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(C#N)CC1 ZINC000596586568 360924496 /nfs/dbraw/zinc/92/44/96/360924496.db2.gz DKFCRCKDLJTERJ-UHFFFAOYSA-N 2 2 281.404 0.473 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(C#N)CC1 ZINC000596586568 360924499 /nfs/dbraw/zinc/92/44/99/360924499.db2.gz DKFCRCKDLJTERJ-UHFFFAOYSA-N 2 2 281.404 0.473 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CSCC#N ZINC000597990389 361299916 /nfs/dbraw/zinc/29/99/16/361299916.db2.gz UTSCVRUFPWMMSD-UHFFFAOYSA-N 2 2 272.418 0.243 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CSCC#N ZINC000597990389 361299922 /nfs/dbraw/zinc/29/99/22/361299922.db2.gz UTSCVRUFPWMMSD-UHFFFAOYSA-N 2 2 272.418 0.243 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)NCc2c[nH+]cn2C)CC1 ZINC000290632033 388909473 /nfs/dbraw/zinc/90/94/73/388909473.db2.gz CYRBUCRFQWAHFD-UHFFFAOYSA-N 2 2 277.372 0.870 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337199096 389052885 /nfs/dbraw/zinc/05/28/85/389052885.db2.gz YLZBETBKLWWESF-CABCVRRESA-N 2 2 293.411 0.427 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337199096 389052888 /nfs/dbraw/zinc/05/28/88/389052888.db2.gz YLZBETBKLWWESF-CABCVRRESA-N 2 2 293.411 0.427 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109751008 389100164 /nfs/dbraw/zinc/10/01/64/389100164.db2.gz XUOFAVJBJILNTF-HNNXBMFYSA-N 2 2 294.443 0.391 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751008 389100167 /nfs/dbraw/zinc/10/01/67/389100167.db2.gz XUOFAVJBJILNTF-HNNXBMFYSA-N 2 2 294.443 0.391 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCC#N)CC1 ZINC000360329264 389196480 /nfs/dbraw/zinc/19/64/80/389196480.db2.gz RLIBVNIGHTZVCL-UHFFFAOYSA-N 2 2 266.389 0.822 20 30 CCEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247009048 389235048 /nfs/dbraw/zinc/23/50/48/389235048.db2.gz FSTMXRQRQAXXBM-ZFWWWQNUSA-N 2 2 280.416 0.924 20 30 CCEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000247009048 389235049 /nfs/dbraw/zinc/23/50/49/389235049.db2.gz FSTMXRQRQAXXBM-ZFWWWQNUSA-N 2 2 280.416 0.924 20 30 CCEDLP N#Cc1cccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000264540751 389335101 /nfs/dbraw/zinc/33/51/01/389335101.db2.gz APAZPKFUBRMDPT-OAHLLOKOSA-N 2 2 286.379 0.988 20 30 CCEDLP N#Cc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000264540751 389335102 /nfs/dbraw/zinc/33/51/02/389335102.db2.gz APAZPKFUBRMDPT-OAHLLOKOSA-N 2 2 286.379 0.988 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365652182 389283339 /nfs/dbraw/zinc/28/33/39/389283339.db2.gz ZIWVKQQTNQNIOM-GFCCVEGCSA-N 2 2 262.357 0.902 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365652182 389283342 /nfs/dbraw/zinc/28/33/42/389283342.db2.gz ZIWVKQQTNQNIOM-GFCCVEGCSA-N 2 2 262.357 0.902 20 30 CCEDLP CNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263995112 389303100 /nfs/dbraw/zinc/30/31/00/389303100.db2.gz XFIFKBXXIZRQTB-CYBMUJFWSA-N 2 2 262.357 0.422 20 30 CCEDLP CNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263995112 389303104 /nfs/dbraw/zinc/30/31/04/389303104.db2.gz XFIFKBXXIZRQTB-CYBMUJFWSA-N 2 2 262.357 0.422 20 30 CCEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000366554331 389304848 /nfs/dbraw/zinc/30/48/48/389304848.db2.gz BLDQIBMQNZCLSM-CVEARBPZSA-N 2 2 290.411 0.822 20 30 CCEDLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000366554331 389304851 /nfs/dbraw/zinc/30/48/51/389304851.db2.gz BLDQIBMQNZCLSM-CVEARBPZSA-N 2 2 290.411 0.822 20 30 CCEDLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000366554331 389304853 /nfs/dbraw/zinc/30/48/53/389304853.db2.gz BLDQIBMQNZCLSM-CVEARBPZSA-N 2 2 290.411 0.822 20 30 CCEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)C1 ZINC000366554331 389304856 /nfs/dbraw/zinc/30/48/56/389304856.db2.gz BLDQIBMQNZCLSM-CVEARBPZSA-N 2 2 290.411 0.822 20 30 CCEDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421347422 389359292 /nfs/dbraw/zinc/35/92/92/389359292.db2.gz UZRZMGYPKBZENB-AWEZNQCLSA-N 2 2 263.316 0.854 20 30 CCEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421347422 389359294 /nfs/dbraw/zinc/35/92/94/389359294.db2.gz UZRZMGYPKBZENB-AWEZNQCLSA-N 2 2 263.316 0.854 20 30 CCEDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421347424 389359357 /nfs/dbraw/zinc/35/93/57/389359357.db2.gz UZRZMGYPKBZENB-CQSZACIVSA-N 2 2 263.316 0.854 20 30 CCEDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421347424 389359360 /nfs/dbraw/zinc/35/93/60/389359360.db2.gz UZRZMGYPKBZENB-CQSZACIVSA-N 2 2 263.316 0.854 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccncc3C#N)C2)CC1 ZINC000368373345 144221058 /nfs/dbraw/zinc/22/10/58/144221058.db2.gz CXGWIAWIGJNYQU-AWEZNQCLSA-N 2 2 285.395 0.956 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccncc3C#N)C2)CC1 ZINC000368373345 144221059 /nfs/dbraw/zinc/22/10/59/144221059.db2.gz CXGWIAWIGJNYQU-AWEZNQCLSA-N 2 2 285.395 0.956 20 30 CCEDLP C=CC[C@@]1(C(=O)N2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662659738 414738278 /nfs/dbraw/zinc/73/82/78/414738278.db2.gz OQUXOFHVTNGTPB-AWEZNQCLSA-N 2 2 251.374 0.849 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000662701534 414743412 /nfs/dbraw/zinc/74/34/12/414743412.db2.gz QKHAPVAXVRYIRV-ZFWWWQNUSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000662701534 414743413 /nfs/dbraw/zinc/74/34/13/414743413.db2.gz QKHAPVAXVRYIRV-ZFWWWQNUSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CCOCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665263974 415581931 /nfs/dbraw/zinc/58/19/31/415581931.db2.gz ZDNSXDSKGOODNZ-UONOGXRCSA-N 2 2 254.374 0.936 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070174451 260152939 /nfs/dbraw/zinc/15/29/39/260152939.db2.gz DFZXSVYPSDWXMD-WDEREUQCSA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070174451 260152940 /nfs/dbraw/zinc/15/29/40/260152940.db2.gz DFZXSVYPSDWXMD-WDEREUQCSA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072861008 264272910 /nfs/dbraw/zinc/27/29/10/264272910.db2.gz SKZPHMFIGZSLDH-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072861008 264272911 /nfs/dbraw/zinc/27/29/11/264272911.db2.gz SKZPHMFIGZSLDH-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072861008 264272912 /nfs/dbraw/zinc/27/29/12/264272912.db2.gz SKZPHMFIGZSLDH-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072861008 264272913 /nfs/dbraw/zinc/27/29/13/264272913.db2.gz SKZPHMFIGZSLDH-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCC[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000128148600 264273513 /nfs/dbraw/zinc/27/35/13/264273513.db2.gz LHIFVVZMHGKGOG-CQSZACIVSA-N 2 2 278.400 0.865 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369270014 267230671 /nfs/dbraw/zinc/23/06/71/267230671.db2.gz XJOWBZGXAGYUEA-GJZGRUSLSA-N 2 2 294.443 0.246 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369270014 267230672 /nfs/dbraw/zinc/23/06/72/267230672.db2.gz XJOWBZGXAGYUEA-GJZGRUSLSA-N 2 2 294.443 0.246 20 30 CCEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000583381459 327335098 /nfs/dbraw/zinc/33/50/98/327335098.db2.gz LQTRODIVWYQPAW-UONOGXRCSA-N 2 2 264.373 0.866 20 30 CCEDLP CN(C)C(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000170906116 329071904 /nfs/dbraw/zinc/07/19/04/329071904.db2.gz ZMABKBQDYDQUGP-UHFFFAOYSA-N 2 2 268.405 0.898 20 30 CCEDLP CCCNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000261992695 329995007 /nfs/dbraw/zinc/99/50/07/329995007.db2.gz MRMNYCRAVPHOEF-CYBMUJFWSA-N 2 2 286.445 0.509 20 30 CCEDLP [NH2+]=C(NCC[NH+]1CCSCC1)NCC1CCC1 ZINC000262553714 330021130 /nfs/dbraw/zinc/02/11/30/330021130.db2.gz ZYLJHDMLNJKLMK-UHFFFAOYSA-N 2 2 256.419 0.740 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263229087 330049806 /nfs/dbraw/zinc/04/98/06/330049806.db2.gz NEUGROZAXICJTR-LLVKDONJSA-N 2 2 273.327 0.750 20 30 CCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSCC#N ZINC000058969114 330393337 /nfs/dbraw/zinc/39/33/37/330393337.db2.gz LMHXIWRSQCUGRN-UHFFFAOYSA-N 2 2 298.456 0.728 20 30 CCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSCC#N ZINC000058969114 330393338 /nfs/dbraw/zinc/39/33/38/330393338.db2.gz LMHXIWRSQCUGRN-UHFFFAOYSA-N 2 2 298.456 0.728 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000490604792 332094822 /nfs/dbraw/zinc/09/48/22/332094822.db2.gz LXEFZQHNEFWJFN-UHFFFAOYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@H]2C)CC1 ZINC000490865699 332122058 /nfs/dbraw/zinc/12/20/58/332122058.db2.gz GLTIPVLTXRWESS-UONOGXRCSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)C[C@H]2C)CC1 ZINC000490865699 332122060 /nfs/dbraw/zinc/12/20/60/332122060.db2.gz GLTIPVLTXRWESS-UONOGXRCSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CCN(CC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000490892574 332125779 /nfs/dbraw/zinc/12/57/79/332125779.db2.gz MCYGEJDEAZKYKD-UHFFFAOYSA-N 2 2 280.416 0.677 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000491305958 332186549 /nfs/dbraw/zinc/18/65/49/332186549.db2.gz LAQGUVBQQHWCNN-UHFFFAOYSA-N 2 2 273.336 0.883 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000491348693 332194321 /nfs/dbraw/zinc/19/43/21/332194321.db2.gz DYSYIEUXFPKHGP-CYBMUJFWSA-N 2 2 286.379 0.728 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000491348693 332194323 /nfs/dbraw/zinc/19/43/23/332194323.db2.gz DYSYIEUXFPKHGP-CYBMUJFWSA-N 2 2 286.379 0.728 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000491523204 332228729 /nfs/dbraw/zinc/22/87/29/332228729.db2.gz CAYCMAWQDUKVAR-ZDUSSCGKSA-N 2 2 265.401 0.836 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000491523204 332228730 /nfs/dbraw/zinc/22/87/30/332228730.db2.gz CAYCMAWQDUKVAR-ZDUSSCGKSA-N 2 2 265.401 0.836 20 30 CCEDLP C#CCNC(=O)CC[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000491567031 332239237 /nfs/dbraw/zinc/23/92/37/332239237.db2.gz JGXLATXKDMXSFG-UHFFFAOYSA-N 2 2 256.309 0.563 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C(C)C)[C@H]2CCOC2)CC1 ZINC000491615981 332243281 /nfs/dbraw/zinc/24/32/81/332243281.db2.gz HOUJAVHDMPKTSM-HNNXBMFYSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C(C)C)[C@H]2CCOC2)CC1 ZINC000491615981 332243282 /nfs/dbraw/zinc/24/32/82/332243282.db2.gz HOUJAVHDMPKTSM-HNNXBMFYSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2C=C)CC1 ZINC000491740140 332319358 /nfs/dbraw/zinc/31/93/58/332319358.db2.gz QPOOXBFGHJZPET-OAHLLOKOSA-N 2 2 275.396 0.804 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C=C)CC1 ZINC000491740140 332319359 /nfs/dbraw/zinc/31/93/59/332319359.db2.gz QPOOXBFGHJZPET-OAHLLOKOSA-N 2 2 275.396 0.804 20 30 CCEDLP C#C[C@H](C)[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000491803916 332357939 /nfs/dbraw/zinc/35/79/39/332357939.db2.gz JVVAUGIYSAPMEQ-SWLSCSKDSA-N 2 2 277.368 0.814 20 30 CCEDLP C#C[C@H](C)[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000491803916 332357940 /nfs/dbraw/zinc/35/79/40/332357940.db2.gz JVVAUGIYSAPMEQ-SWLSCSKDSA-N 2 2 277.368 0.814 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000550645166 334226045 /nfs/dbraw/zinc/22/60/45/334226045.db2.gz WCFICECNZOJNEN-STQMWFEESA-N 2 2 289.383 0.970 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000550645166 334226046 /nfs/dbraw/zinc/22/60/46/334226046.db2.gz WCFICECNZOJNEN-STQMWFEESA-N 2 2 289.383 0.970 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH2+]C)C2)C1=O ZINC000580774807 335265205 /nfs/dbraw/zinc/26/52/05/335265205.db2.gz WHAYSWKUBJTAIU-CHWSQXEVSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](C[NH2+]C)C2)C1=O ZINC000580774807 335265206 /nfs/dbraw/zinc/26/52/06/335265206.db2.gz WHAYSWKUBJTAIU-CHWSQXEVSA-N 2 2 251.374 0.705 20 30 CCEDLP C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618098 545184111 /nfs/dbraw/zinc/18/41/11/545184111.db2.gz OBNGEBMVHKKXBO-KGLIPLIRSA-N 2 2 281.400 0.160 20 30 CCEDLP C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618098 545184112 /nfs/dbraw/zinc/18/41/12/545184112.db2.gz OBNGEBMVHKKXBO-KGLIPLIRSA-N 2 2 281.400 0.160 20 30 CCEDLP C=C(CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000669586449 545215616 /nfs/dbraw/zinc/21/56/16/545215616.db2.gz LJBZRQVEFOSURI-OAHLLOKOSA-N 2 2 288.395 0.984 20 30 CCEDLP C=C(CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000669586449 545215617 /nfs/dbraw/zinc/21/56/17/545215617.db2.gz LJBZRQVEFOSURI-OAHLLOKOSA-N 2 2 288.395 0.984 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000754197762 581580072 /nfs/dbraw/zinc/58/00/72/581580072.db2.gz QCJJKQLAPYMQBK-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000754197762 581580074 /nfs/dbraw/zinc/58/00/74/581580074.db2.gz QCJJKQLAPYMQBK-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC)[C@@H](C)C1 ZINC000754197762 581580076 /nfs/dbraw/zinc/58/00/76/581580076.db2.gz QCJJKQLAPYMQBK-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC)[C@@H](C)C1 ZINC000754197762 581580079 /nfs/dbraw/zinc/58/00/79/581580079.db2.gz QCJJKQLAPYMQBK-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP C#C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@@H]1CCCO1 ZINC000877413353 613099734 /nfs/dbraw/zinc/09/97/34/613099734.db2.gz LKKKVPKLFQVYNQ-CABCVRRESA-N 2 2 280.412 0.992 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000970224289 612962286 /nfs/dbraw/zinc/96/22/86/612962286.db2.gz MTLOCQVEBIRODH-NWDGAFQWSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000970224289 612962288 /nfs/dbraw/zinc/96/22/88/612962288.db2.gz MTLOCQVEBIRODH-NWDGAFQWSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969136687 612963709 /nfs/dbraw/zinc/96/37/09/612963709.db2.gz YUTAQAMSGGHSBS-QWHCGFSZSA-N 2 2 272.352 0.269 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943178370 613017725 /nfs/dbraw/zinc/01/77/25/613017725.db2.gz SMHZTCPSSBEQCK-GXTWGEPZSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943178370 613017726 /nfs/dbraw/zinc/01/77/26/613017726.db2.gz SMHZTCPSSBEQCK-GXTWGEPZSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097221 613026626 /nfs/dbraw/zinc/02/66/26/613026626.db2.gz FEJVJWKKDHZJFD-ZFWWWQNUSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944097221 613026628 /nfs/dbraw/zinc/02/66/28/613026628.db2.gz FEJVJWKKDHZJFD-ZFWWWQNUSA-N 2 2 288.395 0.813 20 30 CCEDLP C#C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000820417377 613115248 /nfs/dbraw/zinc/11/52/48/613115248.db2.gz WCNSCJSLUPSQSY-DZGCQCFKSA-N 2 2 292.427 0.818 20 30 CCEDLP C#C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000820417377 613115250 /nfs/dbraw/zinc/11/52/50/613115250.db2.gz WCNSCJSLUPSQSY-DZGCQCFKSA-N 2 2 292.427 0.818 20 30 CCEDLP C#C[C@H](CC)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000854080058 613120804 /nfs/dbraw/zinc/12/08/04/613120804.db2.gz LTVHRBVXPUJCJU-CYBMUJFWSA-N 2 2 268.405 0.581 20 30 CCEDLP C#C[C@H](CC)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000854080058 613120806 /nfs/dbraw/zinc/12/08/06/613120806.db2.gz LTVHRBVXPUJCJU-CYBMUJFWSA-N 2 2 268.405 0.581 20 30 CCEDLP C#CC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000928652564 613133285 /nfs/dbraw/zinc/13/32/85/613133285.db2.gz CQBTYZIQXRAILV-UHFFFAOYSA-N 2 2 260.341 0.176 20 30 CCEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000957720756 613258942 /nfs/dbraw/zinc/25/89/42/613258942.db2.gz LFPRGQHLZDCMIJ-HNNXBMFYSA-N 2 2 295.427 0.818 20 30 CCEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000957720756 613258944 /nfs/dbraw/zinc/25/89/44/613258944.db2.gz LFPRGQHLZDCMIJ-HNNXBMFYSA-N 2 2 295.427 0.818 20 30 CCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974733274 613297695 /nfs/dbraw/zinc/29/76/95/613297695.db2.gz SLALYJPPQKYJDD-KBPBESRZSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974733274 613297696 /nfs/dbraw/zinc/29/76/96/613297696.db2.gz SLALYJPPQKYJDD-KBPBESRZSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733274 613297697 /nfs/dbraw/zinc/29/76/97/613297697.db2.gz SLALYJPPQKYJDD-KBPBESRZSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733274 613297698 /nfs/dbraw/zinc/29/76/98/613297698.db2.gz SLALYJPPQKYJDD-KBPBESRZSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960640169 613315822 /nfs/dbraw/zinc/31/58/22/613315822.db2.gz BDRNTJFECBAOKD-CXTNEJHOSA-N 2 2 284.363 0.125 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960640169 613315823 /nfs/dbraw/zinc/31/58/23/613315823.db2.gz BDRNTJFECBAOKD-CXTNEJHOSA-N 2 2 284.363 0.125 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855407555 613366478 /nfs/dbraw/zinc/36/64/78/613366478.db2.gz NGVBCLFKFMCXAH-QWHCGFSZSA-N 2 2 269.389 0.330 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000855407555 613366479 /nfs/dbraw/zinc/36/64/79/613366479.db2.gz NGVBCLFKFMCXAH-QWHCGFSZSA-N 2 2 269.389 0.330 20 30 CCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000876717410 613387399 /nfs/dbraw/zinc/38/73/99/613387399.db2.gz BXAYCPOSTJYICP-LLVKDONJSA-N 2 2 257.765 0.763 20 30 CCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000876715454 613387402 /nfs/dbraw/zinc/38/74/02/613387402.db2.gz MECVZGIBKNTAGZ-LLVKDONJSA-N 2 2 275.780 0.247 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806478 613598919 /nfs/dbraw/zinc/59/89/19/613598919.db2.gz DEBMUSZJDYPFSI-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945806478 613598922 /nfs/dbraw/zinc/59/89/22/613598922.db2.gz DEBMUSZJDYPFSI-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947863853 613598944 /nfs/dbraw/zinc/59/89/44/613598944.db2.gz YNGFAOKZEYIEEX-OLZOCXBDSA-N 2 2 274.368 0.945 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947863853 613598947 /nfs/dbraw/zinc/59/89/47/613598947.db2.gz YNGFAOKZEYIEEX-OLZOCXBDSA-N 2 2 274.368 0.945 20 30 CCEDLP C=CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)COC ZINC000852358634 613651126 /nfs/dbraw/zinc/65/11/26/613651126.db2.gz WNHRFRHWGBLOCI-KGLIPLIRSA-N 2 2 256.390 0.966 20 30 CCEDLP C=CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](C)COC ZINC000852358634 613651129 /nfs/dbraw/zinc/65/11/29/613651129.db2.gz WNHRFRHWGBLOCI-KGLIPLIRSA-N 2 2 256.390 0.966 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000950514221 613711544 /nfs/dbraw/zinc/71/15/44/613711544.db2.gz RQHXJHMFKNWSQY-CHWSQXEVSA-N 2 2 251.374 0.514 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000950514221 613711548 /nfs/dbraw/zinc/71/15/48/613711548.db2.gz RQHXJHMFKNWSQY-CHWSQXEVSA-N 2 2 251.374 0.514 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000969125111 613864647 /nfs/dbraw/zinc/86/46/47/613864647.db2.gz RICYCJGQWAUESD-CHWSQXEVSA-N 2 2 274.368 0.822 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000884227010 613878779 /nfs/dbraw/zinc/87/87/79/613878779.db2.gz GHAMPXLBJJSNAH-NEPJUHHUSA-N 2 2 299.415 0.526 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001026325256 625398563 /nfs/dbraw/zinc/39/85/63/625398563.db2.gz WPKOCMBOMYBHPW-RRFJBIMHSA-N 2 2 286.379 0.733 20 30 CCEDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893930 631437857 /nfs/dbraw/zinc/43/78/57/631437857.db2.gz SMXIOAOCNIKENO-AAEUAGOBSA-N 2 2 259.357 0.953 20 30 CCEDLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCCN1O ZINC000895159400 631991993 /nfs/dbraw/zinc/99/19/93/631991993.db2.gz VEHOCWFIJKMTAN-LBPRGKRZSA-N 2 2 253.346 0.583 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007500821 650080457 /nfs/dbraw/zinc/08/04/57/650080457.db2.gz VYHHVECGFILZAO-KBPBESRZSA-N 2 2 286.379 0.974 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007500821 650080460 /nfs/dbraw/zinc/08/04/60/650080460.db2.gz VYHHVECGFILZAO-KBPBESRZSA-N 2 2 286.379 0.974 20 30 CCEDLP C#CC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985675397 632617666 /nfs/dbraw/zinc/61/76/66/632617666.db2.gz SKKXUAFCCXJJCA-UHFFFAOYSA-N 2 2 260.341 0.508 20 30 CCEDLP C#CC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985675397 632617677 /nfs/dbraw/zinc/61/76/77/632617677.db2.gz SKKXUAFCCXJJCA-UHFFFAOYSA-N 2 2 260.341 0.508 20 30 CCEDLP C#CC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985815306 632648310 /nfs/dbraw/zinc/64/83/10/632648310.db2.gz CZNHGFRQOYXHLZ-UHFFFAOYSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985815306 632648312 /nfs/dbraw/zinc/64/83/12/632648312.db2.gz CZNHGFRQOYXHLZ-UHFFFAOYSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000987343506 632859227 /nfs/dbraw/zinc/85/92/27/632859227.db2.gz WFMKOFKBNGQQFZ-WCQYABFASA-N 2 2 260.341 0.175 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000989079709 633144980 /nfs/dbraw/zinc/14/49/80/633144980.db2.gz XXRCKFJTEORATN-VXGBXAGGSA-N 2 2 290.367 0.562 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997212239 638859734 /nfs/dbraw/zinc/85/97/34/638859734.db2.gz WOOBVFYSPCYBKH-UHFFFAOYSA-N 2 2 260.341 0.474 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000998930411 638949882 /nfs/dbraw/zinc/94/98/82/638949882.db2.gz SIRSPRMIICGJTJ-FIYWTHMPSA-N 2 2 272.352 0.725 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000998930411 638949885 /nfs/dbraw/zinc/94/98/85/638949885.db2.gz SIRSPRMIICGJTJ-FIYWTHMPSA-N 2 2 272.352 0.725 20 30 CCEDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921999427 639458475 /nfs/dbraw/zinc/45/84/75/639458475.db2.gz USABWGVIONKBGB-LBPRGKRZSA-N 2 2 251.355 0.776 20 30 CCEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921999427 639458477 /nfs/dbraw/zinc/45/84/77/639458477.db2.gz USABWGVIONKBGB-LBPRGKRZSA-N 2 2 251.355 0.776 20 30 CCEDLP C#CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000847003021 643477627 /nfs/dbraw/zinc/47/76/27/643477627.db2.gz INYSQGJQTFAXDK-GJZGRUSLSA-N 2 2 268.401 0.661 20 30 CCEDLP C#CC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000847003021 643477630 /nfs/dbraw/zinc/47/76/30/643477630.db2.gz INYSQGJQTFAXDK-GJZGRUSLSA-N 2 2 268.401 0.661 20 30 CCEDLP C#CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000847003021 643477635 /nfs/dbraw/zinc/47/76/35/643477635.db2.gz INYSQGJQTFAXDK-GJZGRUSLSA-N 2 2 268.401 0.661 20 30 CCEDLP C#CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000847003021 643477638 /nfs/dbraw/zinc/47/76/38/643477638.db2.gz INYSQGJQTFAXDK-GJZGRUSLSA-N 2 2 268.401 0.661 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001019061154 650934585 /nfs/dbraw/zinc/93/45/85/650934585.db2.gz SMVRGTFHSVNWDJ-STQMWFEESA-N 2 2 286.379 0.647 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001019061154 650934590 /nfs/dbraw/zinc/93/45/90/650934590.db2.gz SMVRGTFHSVNWDJ-STQMWFEESA-N 2 2 286.379 0.647 20 30 CCEDLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c[nH+]1 ZINC000884250713 647680690 /nfs/dbraw/zinc/68/06/90/647680690.db2.gz MARYERVJYBXLOU-GHMZBOCLSA-N 2 2 261.329 0.154 20 30 CCEDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000925603319 648445870 /nfs/dbraw/zinc/44/58/70/648445870.db2.gz LTLWGQBRLLRMDF-BYIBELNISA-N 2 2 278.356 0.243 20 30 CCEDLP C#CCC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006472534 649522735 /nfs/dbraw/zinc/52/27/35/649522735.db2.gz HRWBFXAGYLZLMD-UHFFFAOYSA-N 2 2 274.368 0.829 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038137045 791161974 /nfs/dbraw/zinc/16/19/74/791161974.db2.gz NSDUGJGZAWTSPO-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038137045 791161978 /nfs/dbraw/zinc/16/19/78/791161978.db2.gz NSDUGJGZAWTSPO-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038137045 791161985 /nfs/dbraw/zinc/16/19/85/791161985.db2.gz NSDUGJGZAWTSPO-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038137045 791161990 /nfs/dbraw/zinc/16/19/90/791161990.db2.gz NSDUGJGZAWTSPO-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP COCC#CC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429788 791065408 /nfs/dbraw/zinc/06/54/08/791065408.db2.gz XPMSLGSUTMBDJS-AWEZNQCLSA-N 2 2 292.383 0.580 20 30 CCEDLP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277862656 806258975 /nfs/dbraw/zinc/25/89/75/806258975.db2.gz KNWVSAXUMXGVHG-CHWSQXEVSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234640789 806290579 /nfs/dbraw/zinc/29/05/79/806290579.db2.gz BJUGGONFYJJDBK-KGLIPLIRSA-N 2 2 283.391 0.832 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)C[NH+](CC)CC ZINC001234640789 806290586 /nfs/dbraw/zinc/29/05/86/806290586.db2.gz BJUGGONFYJJDBK-KGLIPLIRSA-N 2 2 283.391 0.832 20 30 CCEDLP N#CCCC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277945020 806422196 /nfs/dbraw/zinc/42/21/96/806422196.db2.gz JNESNPSUKCTSAZ-GJZGRUSLSA-N 2 2 289.383 0.572 20 30 CCEDLP N#CCCC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277945020 806422201 /nfs/dbraw/zinc/42/22/01/806422201.db2.gz JNESNPSUKCTSAZ-GJZGRUSLSA-N 2 2 289.383 0.572 20 30 CCEDLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC001122253221 799180424 /nfs/dbraw/zinc/18/04/24/799180424.db2.gz AVCOHWCADMXTNN-ZIAGYGMSSA-N 2 2 296.415 0.625 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203012902 799887304 /nfs/dbraw/zinc/88/73/04/799887304.db2.gz GOXKRSXTOSVOSJ-KGLIPLIRSA-N 2 2 286.379 0.993 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203012902 799887312 /nfs/dbraw/zinc/88/73/12/799887312.db2.gz GOXKRSXTOSVOSJ-KGLIPLIRSA-N 2 2 286.379 0.993 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152203145 800502080 /nfs/dbraw/zinc/50/20/80/800502080.db2.gz VTNUWZDLBQKCPO-UHFFFAOYSA-N 2 2 291.420 0.835 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152203145 800502084 /nfs/dbraw/zinc/50/20/84/800502084.db2.gz VTNUWZDLBQKCPO-UHFFFAOYSA-N 2 2 291.420 0.835 20 30 CCEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(C#N)ccc2[N+](=O)[O-])CC1 ZINC001157915863 801520272 /nfs/dbraw/zinc/52/02/72/801520272.db2.gz YEUQWDLSZLFLNG-UHFFFAOYSA-N 2 2 289.299 0.456 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001158505642 801660449 /nfs/dbraw/zinc/66/04/49/801660449.db2.gz DOCDDZKQDAGHPR-AWEZNQCLSA-N 2 2 289.383 0.519 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158505642 801660453 /nfs/dbraw/zinc/66/04/53/801660453.db2.gz DOCDDZKQDAGHPR-AWEZNQCLSA-N 2 2 289.383 0.519 20 30 CCEDLP CCCCN(CC#N)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160728755 802011708 /nfs/dbraw/zinc/01/17/08/802011708.db2.gz GCRLEHFAXQWPLJ-YPMHNXCESA-N 2 2 250.346 0.090 20 30 CCEDLP CCCCN(CC#N)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160728366 802012771 /nfs/dbraw/zinc/01/27/71/802012771.db2.gz BWPOOLZWADUOEK-SDDRHHMPSA-N 2 2 250.346 0.089 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203815906 803046680 /nfs/dbraw/zinc/04/66/80/803046680.db2.gz RXEARXYSCUUKEC-KBPBESRZSA-N 2 2 286.379 0.923 20 30 CCEDLP C#CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206871479 803295060 /nfs/dbraw/zinc/29/50/60/803295060.db2.gz MXBCCBDYLCJIEX-UHFFFAOYSA-N 2 2 274.368 0.424 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061962 803484819 /nfs/dbraw/zinc/48/48/19/803484819.db2.gz SPIGCLUGTCPQIV-ZIAGYGMSSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061962 803484821 /nfs/dbraw/zinc/48/48/21/803484821.db2.gz SPIGCLUGTCPQIV-ZIAGYGMSSA-N 2 2 288.395 0.813 20 30 CCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215684785 803822313 /nfs/dbraw/zinc/82/23/13/803822313.db2.gz BXYFXALALABIFS-DGCLKSJQSA-N 2 2 262.357 0.965 20 30 CCEDLP N#Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2cccnc12 ZINC001219468172 804324188 /nfs/dbraw/zinc/32/41/88/804324188.db2.gz WOOLZQIXRGCWNL-RYUDHWBXSA-N 2 2 281.319 0.592 20 30 CCEDLP CC(C)(NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccc(C#N)cc1 ZINC001219988446 804466872 /nfs/dbraw/zinc/46/68/72/804466872.db2.gz XFISNXBHHITBTQ-RHSMWYFYSA-N 2 2 298.390 0.861 20 30 CCEDLP CC(C)(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccc(C#N)cc1 ZINC001219986639 804466926 /nfs/dbraw/zinc/46/69/26/804466926.db2.gz FJVCNUZJQAFJKZ-AEGPPILISA-N 2 2 298.390 0.859 20 30 CCEDLP N#C[C@H]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220094736 804496973 /nfs/dbraw/zinc/49/69/73/804496973.db2.gz GYDUXFQKYLNQIN-ZJQBRPOHSA-N 2 2 262.357 0.136 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038111343 815068275 /nfs/dbraw/zinc/06/82/75/815068275.db2.gz RJYQOSZWEJEORL-OLZOCXBDSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038111343 815068283 /nfs/dbraw/zinc/06/82/83/815068283.db2.gz RJYQOSZWEJEORL-OLZOCXBDSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038111343 815068286 /nfs/dbraw/zinc/06/82/86/815068286.db2.gz RJYQOSZWEJEORL-OLZOCXBDSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038111343 815068294 /nfs/dbraw/zinc/06/82/94/815068294.db2.gz RJYQOSZWEJEORL-OLZOCXBDSA-N 2 2 251.374 0.847 20 30 CCEDLP COC(=O)[C@H](CS)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168297528 815082217 /nfs/dbraw/zinc/08/22/17/815082217.db2.gz AYLDRHXXEYLARR-ILDUYXDCSA-N 2 2 260.403 0.920 20 30 CCEDLP C=C[C@@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001245982361 807105821 /nfs/dbraw/zinc/10/58/21/807105821.db2.gz DBDCGFRBSRZPKF-MNOVXSKESA-N 2 2 258.362 0.572 20 30 CCEDLP C=CCC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245984282 807106472 /nfs/dbraw/zinc/10/64/72/807106472.db2.gz IVVTZSCPXAZBDC-ZIAGYGMSSA-N 3 2 267.417 0.777 20 30 CCEDLP C=CCC[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245984275 807107127 /nfs/dbraw/zinc/10/71/27/807107127.db2.gz IVVTZSCPXAZBDC-KGLIPLIRSA-N 3 2 267.417 0.777 20 30 CCEDLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)cn1 ZINC001251037543 807652440 /nfs/dbraw/zinc/65/24/40/807652440.db2.gz SFENHWAWPGFHJC-NSHDSACASA-N 2 2 298.774 0.133 20 30 CCEDLP C#CC[NH+]1CCC(C)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001278626956 807657261 /nfs/dbraw/zinc/65/72/61/807657261.db2.gz IYXVUWYHOQBHJH-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP C=C[C@@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252948024 807988401 /nfs/dbraw/zinc/98/84/01/807988401.db2.gz IJQBVBSVBRUGQM-JKSUJKDBSA-N 2 2 276.380 0.760 20 30 CCEDLP C=C[C@@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948024 807988405 /nfs/dbraw/zinc/98/84/05/807988405.db2.gz IJQBVBSVBRUGQM-JKSUJKDBSA-N 2 2 276.380 0.760 20 30 CCEDLP C=C[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001253575518 808081052 /nfs/dbraw/zinc/08/10/52/808081052.db2.gz AWMGHSSHKWMQLV-OWCLPIDISA-N 2 2 273.380 0.992 20 30 CCEDLP C=C[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001253575518 808081055 /nfs/dbraw/zinc/08/10/55/808081055.db2.gz AWMGHSSHKWMQLV-OWCLPIDISA-N 2 2 273.380 0.992 20 30 CCEDLP C=C[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001253575518 808081059 /nfs/dbraw/zinc/08/10/59/808081059.db2.gz AWMGHSSHKWMQLV-OWCLPIDISA-N 2 2 273.380 0.992 20 30 CCEDLP C=C[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001253575518 808081062 /nfs/dbraw/zinc/08/10/62/808081062.db2.gz AWMGHSSHKWMQLV-OWCLPIDISA-N 2 2 273.380 0.992 20 30 CCEDLP C#CC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001279008864 808611948 /nfs/dbraw/zinc/61/19/48/808611948.db2.gz LYXZRFDKDPULOB-LBPRGKRZSA-N 2 2 262.357 0.706 20 30 CCEDLP C#CC[NH2+][C@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001265358150 809763588 /nfs/dbraw/zinc/76/35/88/809763588.db2.gz DINFKZAMADGFES-CYBMUJFWSA-N 2 2 260.341 0.460 20 30 CCEDLP C#CC[NH2+][C@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001265358150 809763593 /nfs/dbraw/zinc/76/35/93/809763593.db2.gz DINFKZAMADGFES-CYBMUJFWSA-N 2 2 260.341 0.460 20 30 CCEDLP C#CC[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001265358151 809764190 /nfs/dbraw/zinc/76/41/90/809764190.db2.gz DINFKZAMADGFES-ZDUSSCGKSA-N 2 2 260.341 0.460 20 30 CCEDLP C#CC[NH2+][C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001265358151 809764196 /nfs/dbraw/zinc/76/41/96/809764196.db2.gz DINFKZAMADGFES-ZDUSSCGKSA-N 2 2 260.341 0.460 20 30 CCEDLP COCC#CC[N@@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001265962339 809906541 /nfs/dbraw/zinc/90/65/41/809906541.db2.gz YYGXUWJYTBBDRM-UHFFFAOYSA-N 2 2 292.383 0.349 20 30 CCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114949509 811144085 /nfs/dbraw/zinc/14/40/85/811144085.db2.gz NCATXYSYJXFZTO-SCUASFONSA-N 2 2 274.368 0.821 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114949509 811144090 /nfs/dbraw/zinc/14/40/90/811144090.db2.gz NCATXYSYJXFZTO-SCUASFONSA-N 2 2 274.368 0.821 20 30 CCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114949509 811144097 /nfs/dbraw/zinc/14/40/97/811144097.db2.gz NCATXYSYJXFZTO-SCUASFONSA-N 2 2 274.368 0.821 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114949509 811144105 /nfs/dbraw/zinc/14/41/05/811144105.db2.gz NCATXYSYJXFZTO-SCUASFONSA-N 2 2 274.368 0.821 20 30 CCEDLP C=CCN1CC[NH+](CCN(C)C(=O)CCC[NH+](C)C)CC1 ZINC001267612411 811563361 /nfs/dbraw/zinc/56/33/61/811563361.db2.gz JJYMNPJHYQWWRJ-UHFFFAOYSA-N 2 2 296.459 0.590 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077235883 815466421 /nfs/dbraw/zinc/46/64/21/815466421.db2.gz AIWCXEUTKOFZPN-HZSPNIEDSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077235883 815466425 /nfs/dbraw/zinc/46/64/25/815466425.db2.gz AIWCXEUTKOFZPN-HZSPNIEDSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077235883 815466429 /nfs/dbraw/zinc/46/64/29/815466429.db2.gz AIWCXEUTKOFZPN-HZSPNIEDSA-N 2 2 281.400 0.208 20 30 CCEDLP CC#CC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267698710 811663286 /nfs/dbraw/zinc/66/32/86/811663286.db2.gz GETXKDJQTYYUPC-UHFFFAOYSA-N 2 2 260.341 0.263 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001028094128 812274117 /nfs/dbraw/zinc/27/41/17/812274117.db2.gz VEFURWPDYQJQPU-GJZGRUSLSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028094128 812274125 /nfs/dbraw/zinc/27/41/25/812274125.db2.gz VEFURWPDYQJQPU-GJZGRUSLSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028094128 812274136 /nfs/dbraw/zinc/27/41/36/812274136.db2.gz VEFURWPDYQJQPU-GJZGRUSLSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028094128 812274144 /nfs/dbraw/zinc/27/41/44/812274144.db2.gz VEFURWPDYQJQPU-GJZGRUSLSA-N 2 2 293.411 0.309 20 30 CCEDLP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268562585 812801785 /nfs/dbraw/zinc/80/17/85/812801785.db2.gz XQGVRGOVSQYGIG-SCOBNMCVSA-N 2 2 274.368 0.894 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001270692942 813896028 /nfs/dbraw/zinc/89/60/28/813896028.db2.gz WDAJHZHZWJYOPL-HNNXBMFYSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001270692942 813896040 /nfs/dbraw/zinc/89/60/40/813896040.db2.gz WDAJHZHZWJYOPL-HNNXBMFYSA-N 2 2 295.427 0.721 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088493383 814742859 /nfs/dbraw/zinc/74/28/59/814742859.db2.gz JGUGHYBYQAYFSG-HZSPNIEDSA-N 2 2 263.385 0.683 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001088493383 814742865 /nfs/dbraw/zinc/74/28/65/814742865.db2.gz JGUGHYBYQAYFSG-HZSPNIEDSA-N 2 2 263.385 0.683 20 30 CCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001088493383 814742869 /nfs/dbraw/zinc/74/28/69/814742869.db2.gz JGUGHYBYQAYFSG-HZSPNIEDSA-N 2 2 263.385 0.683 20 30 CCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001088493383 814742876 /nfs/dbraw/zinc/74/28/76/814742876.db2.gz JGUGHYBYQAYFSG-HZSPNIEDSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001031142556 816696388 /nfs/dbraw/zinc/69/63/88/816696388.db2.gz CQHHJYLSMGXMOD-UHFFFAOYSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001031253014 816896500 /nfs/dbraw/zinc/89/65/00/816896500.db2.gz DLVYPQWSTVFELX-HIFRSBDPSA-N 2 2 277.412 0.931 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031253501 816899273 /nfs/dbraw/zinc/89/92/73/816899273.db2.gz PDIVJKUYOWVCMB-LBPRGKRZSA-N 2 2 251.374 0.705 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031253501 816899276 /nfs/dbraw/zinc/89/92/76/816899276.db2.gz PDIVJKUYOWVCMB-LBPRGKRZSA-N 2 2 251.374 0.705 20 30 CCEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001031731545 817296825 /nfs/dbraw/zinc/29/68/25/817296825.db2.gz DEYDORJJCVJRGK-CQSZACIVSA-N 2 2 286.379 0.832 20 30 CCEDLP C#CC[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001031837847 817407592 /nfs/dbraw/zinc/40/75/92/817407592.db2.gz DKLXOKXZTCKSSW-UHFFFAOYSA-N 2 2 295.346 0.562 20 30 CCEDLP C#CC[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032080148 817609118 /nfs/dbraw/zinc/60/91/18/817609118.db2.gz JEDXCUQDHMTQEG-UHFFFAOYSA-N 2 2 295.346 0.562 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127790675 817876257 /nfs/dbraw/zinc/87/62/57/817876257.db2.gz AWVKQJUKRDRHJP-UHFFFAOYSA-N 2 2 274.368 0.491 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832729 818527668 /nfs/dbraw/zinc/52/76/68/818527668.db2.gz SKOVSMZFLGALKY-ILXRZTDVSA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832729 818527676 /nfs/dbraw/zinc/52/76/76/818527676.db2.gz SKOVSMZFLGALKY-ILXRZTDVSA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832729 818527683 /nfs/dbraw/zinc/52/76/83/818527683.db2.gz SKOVSMZFLGALKY-ILXRZTDVSA-N 2 2 295.427 0.597 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001044626373 818612560 /nfs/dbraw/zinc/61/25/60/818612560.db2.gz JIAKXSLQYFGFNJ-STQMWFEESA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001044626373 818612564 /nfs/dbraw/zinc/61/25/64/818612564.db2.gz JIAKXSLQYFGFNJ-STQMWFEESA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358015 818737466 /nfs/dbraw/zinc/73/74/66/818737466.db2.gz MKMSWBIIEPRDAQ-LSDHHAIUSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358015 818737468 /nfs/dbraw/zinc/73/74/68/818737468.db2.gz MKMSWBIIEPRDAQ-LSDHHAIUSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358015 818737470 /nfs/dbraw/zinc/73/74/70/818737470.db2.gz MKMSWBIIEPRDAQ-LSDHHAIUSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358015 818737472 /nfs/dbraw/zinc/73/74/72/818737472.db2.gz MKMSWBIIEPRDAQ-LSDHHAIUSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546209 819239527 /nfs/dbraw/zinc/23/95/27/819239527.db2.gz ATGOTFVLJNHTMC-CYBMUJFWSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546209 819239531 /nfs/dbraw/zinc/23/95/31/819239531.db2.gz ATGOTFVLJNHTMC-CYBMUJFWSA-N 2 2 260.341 0.487 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132730 820905615 /nfs/dbraw/zinc/90/56/15/820905615.db2.gz PEOYEUKIPZHGKZ-RRFJBIMHSA-N 2 2 293.411 0.167 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132730 820905624 /nfs/dbraw/zinc/90/56/24/820905624.db2.gz PEOYEUKIPZHGKZ-RRFJBIMHSA-N 2 2 293.411 0.167 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132730 820905632 /nfs/dbraw/zinc/90/56/32/820905632.db2.gz PEOYEUKIPZHGKZ-RRFJBIMHSA-N 2 2 293.411 0.167 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082132730 820905638 /nfs/dbraw/zinc/90/56/38/820905638.db2.gz PEOYEUKIPZHGKZ-RRFJBIMHSA-N 2 2 293.411 0.167 20 30 CCEDLP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487244 837811174 /nfs/dbraw/zinc/81/11/74/837811174.db2.gz DRPSHGBHFQBCQR-CYBMUJFWSA-N 2 2 292.383 0.354 20 30 CCEDLP C#CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183596543 844051089 /nfs/dbraw/zinc/05/10/89/844051089.db2.gz SKEYOUMNVZMKOB-UKRRQHHQSA-N 2 2 274.368 0.591 20 30 CCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394557 836001685 /nfs/dbraw/zinc/00/16/85/836001685.db2.gz IFHQBIAPLJNTSN-ZBFHGGJFSA-N 2 2 293.411 0.169 20 30 CCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394557 836001693 /nfs/dbraw/zinc/00/16/93/836001693.db2.gz IFHQBIAPLJNTSN-ZBFHGGJFSA-N 2 2 293.411 0.169 20 30 CCEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108394557 836001705 /nfs/dbraw/zinc/00/17/05/836001705.db2.gz IFHQBIAPLJNTSN-ZBFHGGJFSA-N 2 2 293.411 0.169 20 30 CCEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108394557 836001716 /nfs/dbraw/zinc/00/17/16/836001716.db2.gz IFHQBIAPLJNTSN-ZBFHGGJFSA-N 2 2 293.411 0.169 20 30 CCEDLP N#Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C2CC2)n1 ZINC001169071872 836125647 /nfs/dbraw/zinc/12/56/47/836125647.db2.gz GXAPLUUYDZEONP-SNVBAGLBSA-N 2 2 284.323 0.273 20 30 CCEDLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1C#N ZINC001169072395 836125709 /nfs/dbraw/zinc/12/57/09/836125709.db2.gz RMTMQDUIJINNPO-SNVBAGLBSA-N 2 2 273.296 0.010 20 30 CCEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108786344 836522879 /nfs/dbraw/zinc/52/28/79/836522879.db2.gz XWSWXXJCEFOYAW-MJBXVCDLSA-N 2 2 286.379 0.945 20 30 CCEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112741876 836888699 /nfs/dbraw/zinc/88/86/99/836888699.db2.gz DPRRXBZRFLYITE-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 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C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330294453 283016339 /nfs/dbraw/zinc/01/63/39/283016339.db2.gz FGEISWZJHHYSEG-MNOVXSKESA-N 2 2 264.329 0.485 20 30 CCEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000563220841 358557223 /nfs/dbraw/zinc/55/72/23/358557223.db2.gz WMXUAFLDOUXVRQ-HNNXBMFYSA-N 2 2 298.350 0.841 20 30 CCEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000573792926 358999076 /nfs/dbraw/zinc/99/90/76/358999076.db2.gz FOHISLWFYCDSKL-GVRJEKJASA-N 2 2 298.427 0.780 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000584788707 359208282 /nfs/dbraw/zinc/20/82/82/359208282.db2.gz OYGLVXLTZBRROZ-OLZOCXBDSA-N 2 2 274.368 0.996 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000584788707 359208287 /nfs/dbraw/zinc/20/82/87/359208287.db2.gz OYGLVXLTZBRROZ-OLZOCXBDSA-N 2 2 274.368 0.996 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592489527 359855603 /nfs/dbraw/zinc/85/56/03/359855603.db2.gz YGYVBNADUCAYJP-QJPTWQEYSA-N 2 2 282.388 0.446 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592489527 359855610 /nfs/dbraw/zinc/85/56/10/359855610.db2.gz YGYVBNADUCAYJP-QJPTWQEYSA-N 2 2 282.388 0.446 20 30 CCEDLP N#Cc1cnccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000592494308 359858938 /nfs/dbraw/zinc/85/89/38/359858938.db2.gz PPRGSKIBBXBJBV-OAHLLOKOSA-N 2 2 271.368 0.433 20 30 CCEDLP N#Cc1cnccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000592494308 359858942 /nfs/dbraw/zinc/85/89/42/359858942.db2.gz PPRGSKIBBXBJBV-OAHLLOKOSA-N 2 2 271.368 0.433 20 30 CCEDLP N#Cc1cnccc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000592495160 359859353 /nfs/dbraw/zinc/85/93/53/359859353.db2.gz HXBKOGBNYQEAIG-OAHLLOKOSA-N 2 2 297.366 0.841 20 30 CCEDLP N#Cc1cnccc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000592495160 359859357 /nfs/dbraw/zinc/85/93/57/359859357.db2.gz HXBKOGBNYQEAIG-OAHLLOKOSA-N 2 2 297.366 0.841 20 30 CCEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)CCCn1cc[nH+]c1 ZINC000593154381 360048793 /nfs/dbraw/zinc/04/87/93/360048793.db2.gz KUSLJGITLHUHEY-CYBMUJFWSA-N 2 2 263.345 0.623 20 30 CCEDLP C[C@@H](CCC#N)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053065 360020983 /nfs/dbraw/zinc/02/09/83/360020983.db2.gz WECVUUDGMNEZQC-LBPRGKRZSA-N 2 2 252.362 0.384 20 30 CCEDLP C[C@@H](CCC#N)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053065 360020989 /nfs/dbraw/zinc/02/09/89/360020989.db2.gz WECVUUDGMNEZQC-LBPRGKRZSA-N 2 2 252.362 0.384 20 30 CCEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595256797 360461298 /nfs/dbraw/zinc/46/12/98/360461298.db2.gz SNXDWQLTHACZAT-UONOGXRCSA-N 2 2 294.399 0.331 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595834664 360673406 /nfs/dbraw/zinc/67/34/06/360673406.db2.gz NGQZDGXLPPOTJG-HIFRSBDPSA-N 2 2 278.400 0.775 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595834664 360673408 /nfs/dbraw/zinc/67/34/08/360673408.db2.gz NGQZDGXLPPOTJG-HIFRSBDPSA-N 2 2 278.400 0.775 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C#N)n1 ZINC000597993321 361302373 /nfs/dbraw/zinc/30/23/73/361302373.db2.gz RGPLOYHCOXFTIY-UHFFFAOYSA-N 2 2 289.383 0.567 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C#N)n1 ZINC000597993321 361302377 /nfs/dbraw/zinc/30/23/77/361302377.db2.gz RGPLOYHCOXFTIY-UHFFFAOYSA-N 2 2 289.383 0.567 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000598593893 361453506 /nfs/dbraw/zinc/45/35/06/361453506.db2.gz WLNZZZQYHGATMB-LSDHHAIUSA-N 2 2 295.427 0.941 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000598593893 361453510 /nfs/dbraw/zinc/45/35/10/361453510.db2.gz WLNZZZQYHGATMB-LSDHHAIUSA-N 2 2 295.427 0.941 20 30 CCEDLP CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000330451470 389230823 /nfs/dbraw/zinc/23/08/23/389230823.db2.gz YVTFXSAXEVGQMU-UHFFFAOYSA-N 2 2 284.404 0.841 20 30 CCEDLP CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000330451470 389230826 /nfs/dbraw/zinc/23/08/26/389230826.db2.gz YVTFXSAXEVGQMU-UHFFFAOYSA-N 2 2 284.404 0.841 20 30 CCEDLP Cn1cc(C[NH+]2CCC([N@H+](C)CCO)CC2)cc1C#N ZINC000276754028 389536649 /nfs/dbraw/zinc/53/66/49/389536649.db2.gz LOODOGSEEHLLGU-UHFFFAOYSA-N 2 2 276.384 0.785 20 30 CCEDLP Cn1cc(C[NH+]2CCC([N@@H+](C)CCO)CC2)cc1C#N ZINC000276754028 389536653 /nfs/dbraw/zinc/53/66/53/389536653.db2.gz LOODOGSEEHLLGU-UHFFFAOYSA-N 2 2 276.384 0.785 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181098507 389681489 /nfs/dbraw/zinc/68/14/89/389681489.db2.gz GORZOECRODGTDU-GFCCVEGCSA-N 2 2 293.371 0.605 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181098507 389681491 /nfs/dbraw/zinc/68/14/91/389681491.db2.gz GORZOECRODGTDU-GFCCVEGCSA-N 2 2 293.371 0.605 20 30 CCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447535802 389956912 /nfs/dbraw/zinc/95/69/12/389956912.db2.gz IMRZEAQQOKYZAT-MGPQQGTHSA-N 2 2 250.390 0.904 20 30 CCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447535802 389956916 /nfs/dbraw/zinc/95/69/16/389956916.db2.gz IMRZEAQQOKYZAT-MGPQQGTHSA-N 2 2 250.390 0.904 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000491296269 390111517 /nfs/dbraw/zinc/11/15/17/390111517.db2.gz KUQLNZAGQOIPRA-CABCVRRESA-N 2 2 293.411 0.121 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000491296269 390111518 /nfs/dbraw/zinc/11/15/18/390111518.db2.gz KUQLNZAGQOIPRA-CABCVRRESA-N 2 2 293.411 0.121 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000567727381 390710940 /nfs/dbraw/zinc/71/09/40/390710940.db2.gz SHPDHPRYPYHDKZ-CQSZACIVSA-N 2 2 291.399 0.515 20 30 CCEDLP N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000528389571 390739882 /nfs/dbraw/zinc/73/98/82/390739882.db2.gz MYPZPOUDTWIZJX-CABCVRRESA-N 2 2 293.411 0.695 20 30 CCEDLP N#CC1(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000528389571 390739884 /nfs/dbraw/zinc/73/98/84/390739884.db2.gz MYPZPOUDTWIZJX-CABCVRRESA-N 2 2 293.411 0.695 20 30 CCEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000330266546 228085401 /nfs/dbraw/zinc/08/54/01/228085401.db2.gz AFJOULOSYGKBSE-CHWSQXEVSA-N 2 2 289.383 0.544 20 30 CCEDLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000330266546 228085403 /nfs/dbraw/zinc/08/54/03/228085403.db2.gz AFJOULOSYGKBSE-CHWSQXEVSA-N 2 2 289.383 0.544 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000490699470 261188211 /nfs/dbraw/zinc/18/82/11/261188211.db2.gz QJLNBHKGFUUWPC-ZIAGYGMSSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000490699470 261188212 /nfs/dbraw/zinc/18/82/12/261188212.db2.gz QJLNBHKGFUUWPC-ZIAGYGMSSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000490699470 261188213 /nfs/dbraw/zinc/18/82/13/261188213.db2.gz QJLNBHKGFUUWPC-ZIAGYGMSSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000490699470 261188214 /nfs/dbraw/zinc/18/82/14/261188214.db2.gz QJLNBHKGFUUWPC-ZIAGYGMSSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365377804 262362553 /nfs/dbraw/zinc/36/25/53/262362553.db2.gz IRCIHNKRARJGTM-CHWSQXEVSA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365377804 262362555 /nfs/dbraw/zinc/36/25/55/262362555.db2.gz IRCIHNKRARJGTM-CHWSQXEVSA-N 2 2 251.374 0.540 20 30 CCEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162754764 262377342 /nfs/dbraw/zinc/37/73/42/262377342.db2.gz SSZTYVYEMNJWBM-ZDUSSCGKSA-N 2 2 251.374 0.801 20 30 CCEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162754764 262377344 /nfs/dbraw/zinc/37/73/44/262377344.db2.gz SSZTYVYEMNJWBM-ZDUSSCGKSA-N 2 2 251.374 0.801 20 30 CCEDLP C[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330274903 290006268 /nfs/dbraw/zinc/00/62/68/290006268.db2.gz KTWPAOBQQPVPFJ-NSHDSACASA-N 2 2 263.345 0.359 20 30 CCEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])N1CCOCC1 ZINC000262191144 328147025 /nfs/dbraw/zinc/14/70/25/328147025.db2.gz CIDVIDSIPLVVQG-UHFFFAOYSA-N 2 2 287.367 0.992 20 30 CCEDLP C[N@H+](CCNC(=[NH2+])N1CCOCC1)Cc1ccccc1 ZINC000264078828 328157341 /nfs/dbraw/zinc/15/73/41/328157341.db2.gz GRCPJKYNRLUDBY-UHFFFAOYSA-N 2 2 276.384 0.765 20 30 CCEDLP C[N@@H+](CCNC(=[NH2+])N1CCOCC1)Cc1ccccc1 ZINC000264078828 328157343 /nfs/dbraw/zinc/15/73/43/328157343.db2.gz GRCPJKYNRLUDBY-UHFFFAOYSA-N 2 2 276.384 0.765 20 30 CCEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000583381457 327335213 /nfs/dbraw/zinc/33/52/13/327335213.db2.gz LQTRODIVWYQPAW-KBPBESRZSA-N 2 2 264.373 0.866 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000570338409 327584621 /nfs/dbraw/zinc/58/46/21/327584621.db2.gz ZLISFYNCVNTWPX-GFCCVEGCSA-N 2 2 269.389 0.378 20 30 CCEDLP CC[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)NC1CC1 ZINC000171612772 329077913 /nfs/dbraw/zinc/07/79/13/329077913.db2.gz JVLLWXYHLCDBQO-UHFFFAOYSA-N 2 2 268.405 0.815 20 30 CCEDLP CC[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)NC1CC1 ZINC000171612772 329077915 /nfs/dbraw/zinc/07/79/15/329077915.db2.gz JVLLWXYHLCDBQO-UHFFFAOYSA-N 2 2 268.405 0.815 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420369862 329762308 /nfs/dbraw/zinc/76/23/08/329762308.db2.gz OPHSJTBGLQEVEK-WHOHXGKFSA-N 2 2 282.388 0.363 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)N(C)Cc1cccn1C ZINC000261655828 329974942 /nfs/dbraw/zinc/97/49/42/329974942.db2.gz ABEGSGSYQMRELD-UHFFFAOYSA-N 2 2 263.389 0.738 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422859385 330157732 /nfs/dbraw/zinc/15/77/32/330157732.db2.gz KARXAGWKNWNBRT-HZPDHXFCSA-N 3 2 279.428 0.993 20 30 CCEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN[C@H]2C(=O)OCC)CC1 ZINC000422979369 330162590 /nfs/dbraw/zinc/16/25/90/330162590.db2.gz MJYVOOSHYXFICM-LSDHHAIUSA-N 2 2 295.427 0.910 20 30 CCEDLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424132941 330265249 /nfs/dbraw/zinc/26/52/49/330265249.db2.gz LINBZFYWTKFLAP-GFCCVEGCSA-N 2 2 275.356 0.785 20 30 CCEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000424135318 330269437 /nfs/dbraw/zinc/26/94/37/330269437.db2.gz LYMFGOGGCPSVHV-GFCCVEGCSA-N 2 2 271.324 0.972 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000490865585 332121713 /nfs/dbraw/zinc/12/17/13/332121713.db2.gz FBMMXAXFSBCEGQ-UHFFFAOYSA-N 2 2 265.401 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000490865585 332121714 /nfs/dbraw/zinc/12/17/14/332121714.db2.gz FBMMXAXFSBCEGQ-UHFFFAOYSA-N 2 2 265.401 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)C(C)(C)C)CC1 ZINC000491013857 332138857 /nfs/dbraw/zinc/13/88/57/332138857.db2.gz LWQUNNWSFJMTDW-AWEZNQCLSA-N 2 2 295.427 0.151 20 30 CCEDLP C#CCNC(=O)CC[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000491657556 332268768 /nfs/dbraw/zinc/26/87/68/332268768.db2.gz UWDBSOKISLISQK-UHFFFAOYSA-N 2 2 260.341 0.449 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493630001 332447945 /nfs/dbraw/zinc/44/79/45/332447945.db2.gz ZBBQREKIIRVYGM-SNAWJCMRSA-N 2 2 258.325 0.590 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000194051604 333264431 /nfs/dbraw/zinc/26/44/31/333264431.db2.gz ZGXSSWUXRSNLAU-UHFFFAOYSA-N 2 2 260.341 0.345 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669773 333327488 /nfs/dbraw/zinc/32/74/88/333327488.db2.gz JTAMZAVZINLJKD-LLVKDONJSA-N 2 2 268.361 0.072 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669773 333327489 /nfs/dbraw/zinc/32/74/89/333327489.db2.gz JTAMZAVZINLJKD-LLVKDONJSA-N 2 2 268.361 0.072 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000081571256 334197197 /nfs/dbraw/zinc/19/71/97/334197197.db2.gz BMDVUMBTVWTOST-CYBMUJFWSA-N 2 2 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C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000951758192 613655961 /nfs/dbraw/zinc/65/59/61/613655961.db2.gz SBGSDNOZFCFWRV-OCCSQVGLSA-N 2 2 265.401 0.903 20 30 CCEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000951758192 613655962 /nfs/dbraw/zinc/65/59/62/613655962.db2.gz SBGSDNOZFCFWRV-OCCSQVGLSA-N 2 2 265.401 0.903 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000957328610 613709319 /nfs/dbraw/zinc/70/93/19/613709319.db2.gz XYMYKJAWIWYQEL-CYBMUJFWSA-N 2 2 251.374 0.658 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000957328610 613709322 /nfs/dbraw/zinc/70/93/22/613709322.db2.gz XYMYKJAWIWYQEL-CYBMUJFWSA-N 2 2 251.374 0.658 20 30 CCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972294143 613723699 /nfs/dbraw/zinc/72/36/99/613723699.db2.gz IHQWLPOYXXXHDY-HOCLYGCPSA-N 2 2 293.411 0.570 20 30 CCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972294143 613723700 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C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000884013787 613877642 /nfs/dbraw/zinc/87/76/42/613877642.db2.gz RVQNCZHOSOHOBA-GRYCIOLGSA-N 2 2 283.372 0.161 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000884270087 613877783 /nfs/dbraw/zinc/87/77/83/613877783.db2.gz GHUYORALWZEHAR-WOPDTQHZSA-N 2 2 283.372 0.019 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884195571 613878829 /nfs/dbraw/zinc/87/88/29/613878829.db2.gz RGQBKUVADKDOIB-RWMBFGLXSA-N 2 2 295.383 0.176 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000884195571 613878830 /nfs/dbraw/zinc/87/88/30/613878830.db2.gz RGQBKUVADKDOIB-RWMBFGLXSA-N 2 2 295.383 0.176 20 30 CCEDLP CC(C)C#CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827413798 614328481 /nfs/dbraw/zinc/32/84/81/614328481.db2.gz MILXWKVVSLRLNC-AWEZNQCLSA-N 2 2 277.412 0.931 20 30 CCEDLP CC(C)C#CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827413798 614328484 /nfs/dbraw/zinc/32/84/84/614328484.db2.gz MILXWKVVSLRLNC-AWEZNQCLSA-N 2 2 277.412 0.931 20 30 CCEDLP CC[C@@H](C(=O)NCC#CC[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000913521952 615380174 /nfs/dbraw/zinc/38/01/74/615380174.db2.gz URVXDOVEHWRORS-CABCVRRESA-N 2 2 295.427 0.557 20 30 CCEDLP CC[C@@H](C(=O)NCC#CC[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000913521952 615380177 /nfs/dbraw/zinc/38/01/77/615380177.db2.gz URVXDOVEHWRORS-CABCVRRESA-N 2 2 295.427 0.557 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001019799421 623912101 /nfs/dbraw/zinc/91/21/01/623912101.db2.gz OBVKDTPYCFSSDB-GJZGRUSLSA-N 2 2 293.411 0.474 20 30 CCEDLP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[NH2+]1 ZINC000904427916 634745611 /nfs/dbraw/zinc/74/56/11/634745611.db2.gz AMZKNIVRGCLJHU-FQUUOJAGSA-N 2 2 297.424 0.245 20 30 CCEDLP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[NH2+]1 ZINC000904427916 634745619 /nfs/dbraw/zinc/74/56/19/634745619.db2.gz AMZKNIVRGCLJHU-FQUUOJAGSA-N 2 2 297.424 0.245 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC000986356531 632745692 /nfs/dbraw/zinc/74/56/92/632745692.db2.gz SDOXCKRXSHSMGE-DGCLKSJQSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC000986356531 632745693 /nfs/dbraw/zinc/74/56/93/632745693.db2.gz SDOXCKRXSHSMGE-DGCLKSJQSA-N 2 2 260.341 0.555 20 30 CCEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924838354 636237032 /nfs/dbraw/zinc/23/70/32/636237032.db2.gz DCTLXJSRUFLZRC-GFCCVEGCSA-N 2 2 266.389 0.678 20 30 CCEDLP C#CC[N@H+]1CC[C@@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992415490 637398520 /nfs/dbraw/zinc/39/85/20/637398520.db2.gz ARNLHWBCFOVULM-HOCLYGCPSA-N 2 2 286.379 0.709 20 30 CCEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994219775 637877391 /nfs/dbraw/zinc/87/73/91/637877391.db2.gz BPEYTKXYZGKJNZ-UKRRQHHQSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994219775 637877395 /nfs/dbraw/zinc/87/73/95/637877395.db2.gz BPEYTKXYZGKJNZ-UKRRQHHQSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994233095 637877937 /nfs/dbraw/zinc/87/79/37/637877937.db2.gz RIHJJHPKHMQJSA-HIFRSBDPSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994233095 637877939 /nfs/dbraw/zinc/87/79/39/637877939.db2.gz RIHJJHPKHMQJSA-HIFRSBDPSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC1(C)C ZINC000996072386 638808785 /nfs/dbraw/zinc/80/87/85/638808785.db2.gz GYKSYRDPWKECSP-ZDUSSCGKSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997014474 638848594 /nfs/dbraw/zinc/84/85/94/638848594.db2.gz BGDDXILKFKGXMG-ZIAGYGMSSA-N 2 2 286.379 0.737 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001484 650672051 /nfs/dbraw/zinc/67/20/51/650672051.db2.gz MRTOGGGLTDDKGG-LBPRGKRZSA-N 2 2 260.341 0.176 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001484 650672052 /nfs/dbraw/zinc/67/20/52/650672052.db2.gz MRTOGGGLTDDKGG-LBPRGKRZSA-N 2 2 260.341 0.176 20 30 CCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016255673 650707245 /nfs/dbraw/zinc/70/72/45/650707245.db2.gz NPMOOOBQGKZHNZ-VXGBXAGGSA-N 2 2 271.792 0.881 20 30 CCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016255673 650707246 /nfs/dbraw/zinc/70/72/46/650707246.db2.gz NPMOOOBQGKZHNZ-VXGBXAGGSA-N 2 2 271.792 0.881 20 30 CCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016255673 650707248 /nfs/dbraw/zinc/70/72/48/650707248.db2.gz NPMOOOBQGKZHNZ-VXGBXAGGSA-N 2 2 271.792 0.881 20 30 CCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001016255673 650707249 /nfs/dbraw/zinc/70/72/49/650707249.db2.gz NPMOOOBQGKZHNZ-VXGBXAGGSA-N 2 2 271.792 0.881 20 30 CCEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000834500565 642588101 /nfs/dbraw/zinc/58/81/01/642588101.db2.gz URDOZKCCJXILJD-GXFFZTMASA-N 2 2 282.307 0.109 20 30 CCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865606 644030753 /nfs/dbraw/zinc/03/07/53/644030753.db2.gz JPBCRIFXSLSVOL-UHFFFAOYSA-N 2 2 293.411 0.216 20 30 CCEDLP CC1(C)COCC[N@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865606 644030762 /nfs/dbraw/zinc/03/07/62/644030762.db2.gz JPBCRIFXSLSVOL-UHFFFAOYSA-N 2 2 293.411 0.216 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001020308676 651058354 /nfs/dbraw/zinc/05/83/54/651058354.db2.gz LPPOAWFJDMLRPK-AVGNSLFASA-N 2 2 274.368 0.868 20 30 CCEDLP NC(=[NH2+])NN=Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872341235 646248560 /nfs/dbraw/zinc/24/85/60/646248560.db2.gz IXJLXENWDRJOHD-UHFFFAOYSA-N 2 2 291.355 0.215 20 30 CCEDLP C[C@@H](C#N)OCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878866514 646991277 /nfs/dbraw/zinc/99/12/77/646991277.db2.gz UGVSXNVMLLZBKM-STQMWFEESA-N 2 2 255.362 0.304 20 30 CCEDLP C[C@@H](C#N)OCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878866514 646991290 /nfs/dbraw/zinc/99/12/90/646991290.db2.gz UGVSXNVMLLZBKM-STQMWFEESA-N 2 2 255.362 0.304 20 30 CCEDLP C[C@H](C#N)OCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878866509 646991417 /nfs/dbraw/zinc/99/14/17/646991417.db2.gz UGVSXNVMLLZBKM-CHWSQXEVSA-N 2 2 255.362 0.304 20 30 CCEDLP C[C@H](C#N)OCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878866509 646991418 /nfs/dbraw/zinc/99/14/18/646991418.db2.gz UGVSXNVMLLZBKM-CHWSQXEVSA-N 2 2 255.362 0.304 20 30 CCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@H](O)CC#N ZINC000930113473 648824466 /nfs/dbraw/zinc/82/44/66/648824466.db2.gz DXBUFVOSBJOXFA-CQSZACIVSA-N 2 2 268.405 0.219 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266607651 791015022 /nfs/dbraw/zinc/01/50/22/791015022.db2.gz FSOXGJRTFNKVOK-JOCQHMNTSA-N 2 2 274.368 0.613 20 30 CCEDLP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001277735879 805997718 /nfs/dbraw/zinc/99/77/18/805997718.db2.gz UJJQCRGSYSBHCB-CQSZACIVSA-N 2 2 274.368 0.733 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476723 791443724 /nfs/dbraw/zinc/44/37/24/791443724.db2.gz KLXGYFFKFXCVPF-CABCVRRESA-N 2 2 286.379 0.972 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476723 791443737 /nfs/dbraw/zinc/44/37/37/791443737.db2.gz KLXGYFFKFXCVPF-CABCVRRESA-N 2 2 286.379 0.972 20 30 CCEDLP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267202828 791667984 /nfs/dbraw/zinc/66/79/84/791667984.db2.gz IMFCRBURJXADTH-AWEZNQCLSA-N 2 2 281.400 0.169 20 30 CCEDLP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001267202828 791667988 /nfs/dbraw/zinc/66/79/88/791667988.db2.gz IMFCRBURJXADTH-AWEZNQCLSA-N 2 2 281.400 0.169 20 30 CCEDLP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267202828 791667995 /nfs/dbraw/zinc/66/79/95/791667995.db2.gz IMFCRBURJXADTH-AWEZNQCLSA-N 2 2 281.400 0.169 20 30 CCEDLP COCC#CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267202828 791668003 /nfs/dbraw/zinc/66/80/03/791668003.db2.gz IMFCRBURJXADTH-AWEZNQCLSA-N 2 2 281.400 0.169 20 30 CCEDLP C#CCOC[C@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246037895 807129998 /nfs/dbraw/zinc/12/99/98/807129998.db2.gz XWQCBFJQJYWYKG-ZIAGYGMSSA-N 2 2 252.358 0.215 20 30 CCEDLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1C#N ZINC001157910526 801516893 /nfs/dbraw/zinc/51/68/93/801516893.db2.gz JEQWRGMFDKEAQK-UHFFFAOYSA-N 2 2 274.328 0.556 20 30 CCEDLP N#Cc1cc2c(nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO)CCCC2 ZINC001158206675 801594418 /nfs/dbraw/zinc/59/44/18/801594418.db2.gz XETJYFUTWSRFAZ-CYBMUJFWSA-N 2 2 297.362 0.880 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821322 801709153 /nfs/dbraw/zinc/70/91/53/801709153.db2.gz HSAGMFRRVQJZDG-HNNXBMFYSA-N 2 2 299.334 0.155 20 30 CCEDLP CC#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001278315517 806946187 /nfs/dbraw/zinc/94/61/87/806946187.db2.gz MDGBOPWWPJBIJR-HIFRSBDPSA-N 2 2 288.395 0.955 20 30 CCEDLP N#Cc1cnc(Cl)nc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160510729 801955181 /nfs/dbraw/zinc/95/51/81/801955181.db2.gz JDABHAHDFOAXJT-CYBMUJFWSA-N 2 2 292.774 0.837 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160820612 802022506 /nfs/dbraw/zinc/02/25/06/802022506.db2.gz OVDYFTIFTKOMBM-UHFFFAOYSA-N 2 2 262.357 0.656 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161323352 802127396 /nfs/dbraw/zinc/12/73/96/802127396.db2.gz IWWNNKJIPNASFO-CYBMUJFWSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001163275280 802525793 /nfs/dbraw/zinc/52/57/93/802525793.db2.gz XTARODHEVCHSNU-AWEZNQCLSA-N 2 2 281.400 0.216 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001163275280 802525798 /nfs/dbraw/zinc/52/57/98/802525798.db2.gz XTARODHEVCHSNU-AWEZNQCLSA-N 2 2 281.400 0.216 20 30 CCEDLP C[NH+](C)C1(CNc2cncnc2C#N)CC[NH+](C)CC1 ZINC001164210466 802688619 /nfs/dbraw/zinc/68/86/19/802688619.db2.gz DLTURLGXSVBZQP-UHFFFAOYSA-N 2 2 274.372 0.786 20 30 CCEDLP Cc1[nH+]c2c(n1-c1ncc(C)nc1C#N)CC[NH2+]CC2 ZINC001165354527 802826316 /nfs/dbraw/zinc/82/63/16/802826316.db2.gz CUWLIOTUDYOXOT-UHFFFAOYSA-N 2 2 268.324 0.839 20 30 CCEDLP C#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104835880 811739513 /nfs/dbraw/zinc/73/95/13/811739513.db2.gz HRBFMQDPMBRRRV-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166403491 802905004 /nfs/dbraw/zinc/90/50/04/802905004.db2.gz YXEXHOUNDBWQPO-LBPRGKRZSA-N 2 2 274.368 0.949 20 30 CCEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206586136 803270232 /nfs/dbraw/zinc/27/02/32/803270232.db2.gz OXJBTHVGSJBAAK-RBSFLKMASA-N 2 2 293.411 0.167 20 30 CCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001206586136 803270238 /nfs/dbraw/zinc/27/02/38/803270238.db2.gz OXJBTHVGSJBAAK-RBSFLKMASA-N 2 2 293.411 0.167 20 30 CCEDLP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001206586136 803270241 /nfs/dbraw/zinc/27/02/41/803270241.db2.gz OXJBTHVGSJBAAK-RBSFLKMASA-N 2 2 293.411 0.167 20 30 CCEDLP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001206586136 803270248 /nfs/dbraw/zinc/27/02/48/803270248.db2.gz OXJBTHVGSJBAAK-RBSFLKMASA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250485 803500042 /nfs/dbraw/zinc/50/00/42/803500042.db2.gz NBSCQFIGCRCJEL-CHWSQXEVSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250485 803500046 /nfs/dbraw/zinc/50/00/46/803500046.db2.gz NBSCQFIGCRCJEL-CHWSQXEVSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208680212 803536288 /nfs/dbraw/zinc/53/62/88/803536288.db2.gz TVRRKFHPWACFLD-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP Cc1[nH]c(NC(=O)C2([NH3+])CC[NH2+]CC2)c(C#N)c1C ZINC001218555816 804004171 /nfs/dbraw/zinc/00/41/71/804004171.db2.gz MQZZGCHODYPLLT-UHFFFAOYSA-N 2 2 261.329 0.523 20 30 CCEDLP N#Cc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c(O)c1 ZINC001218988217 804176366 /nfs/dbraw/zinc/17/63/66/804176366.db2.gz GITIUEIGZUSMTI-UHFFFAOYSA-N 2 2 274.324 0.544 20 30 CCEDLP N#Cc1c[nH]c2cc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)ccc12 ZINC001219045111 804185434 /nfs/dbraw/zinc/18/54/34/804185434.db2.gz YKIFYSUQEHAFMB-RNCFNFMXSA-N 2 2 269.308 0.667 20 30 CCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553103 804344657 /nfs/dbraw/zinc/34/46/57/804344657.db2.gz SLDQUUYLKHREKO-OLZOCXBDSA-N 2 2 292.383 0.470 20 30 CCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553103 804344666 /nfs/dbraw/zinc/34/46/66/804344666.db2.gz SLDQUUYLKHREKO-OLZOCXBDSA-N 2 2 292.383 0.470 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455514 815013694 /nfs/dbraw/zinc/01/36/94/815013694.db2.gz GTIOQAJEDPGRDP-ILXRZTDVSA-N 2 2 293.411 0.044 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083455514 815013700 /nfs/dbraw/zinc/01/37/00/815013700.db2.gz GTIOQAJEDPGRDP-ILXRZTDVSA-N 2 2 293.411 0.044 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083455514 815013705 /nfs/dbraw/zinc/01/37/05/815013705.db2.gz GTIOQAJEDPGRDP-ILXRZTDVSA-N 2 2 293.411 0.044 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083455514 815013713 /nfs/dbraw/zinc/01/37/13/815013713.db2.gz GTIOQAJEDPGRDP-ILXRZTDVSA-N 2 2 293.411 0.044 20 30 CCEDLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)c1 ZINC001219634303 804384440 /nfs/dbraw/zinc/38/44/40/804384440.db2.gz SFTBOYKDZAYQNF-HNNXBMFYSA-N 2 2 297.362 0.520 20 30 CCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105989 804500518 /nfs/dbraw/zinc/50/05/18/804500518.db2.gz VPRXVAWLVJWLJE-KGLIPLIRSA-N 2 2 292.383 0.401 20 30 CCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105989 804500524 /nfs/dbraw/zinc/50/05/24/804500524.db2.gz VPRXVAWLVJWLJE-KGLIPLIRSA-N 2 2 292.383 0.401 20 30 CCEDLP CC1(C)CC(=O)C=C(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001220413248 804599079 /nfs/dbraw/zinc/59/90/79/804599079.db2.gz CICVVWFRJGVSAH-BMIGLBTASA-N 2 2 277.368 0.327 20 30 CCEDLP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220597203 804634673 /nfs/dbraw/zinc/63/46/73/804634673.db2.gz ZEHSNRXFAVYANI-VMGRFDJRSA-N 2 2 296.374 0.613 20 30 CCEDLP N#CC1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)Cc2ccccc2C1 ZINC001221368425 804790226 /nfs/dbraw/zinc/79/02/26/804790226.db2.gz WYIFDKGXOHBRLF-SOUVJXGZSA-N 2 2 296.374 0.114 20 30 CCEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098750 804867797 /nfs/dbraw/zinc/86/77/97/804867797.db2.gz PHJJFFFDMIEJPT-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099503 804868768 /nfs/dbraw/zinc/86/87/68/804868768.db2.gz YEGNIFVLCIIHMB-CYBMUJFWSA-N 2 2 260.341 0.487 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001276955729 805014336 /nfs/dbraw/zinc/01/43/36/805014336.db2.gz IKACDGIPEWIJPR-LSDHHAIUSA-N 2 2 295.427 0.413 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001276955729 805014346 /nfs/dbraw/zinc/01/43/46/805014346.db2.gz IKACDGIPEWIJPR-LSDHHAIUSA-N 2 2 295.427 0.413 20 30 CCEDLP C#CC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225168015 805112411 /nfs/dbraw/zinc/11/24/11/805112411.db2.gz JMTBSKYPCVLYPV-UHFFFAOYSA-N 2 2 274.368 0.424 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989735925 815091166 /nfs/dbraw/zinc/09/11/66/815091166.db2.gz JFSZAZYBZOVTAJ-OLZOCXBDSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246037895 807129993 /nfs/dbraw/zinc/12/99/93/807129993.db2.gz XWQCBFJQJYWYKG-ZIAGYGMSSA-N 2 2 252.358 0.215 20 30 CCEDLP C=C[C@@](C)(O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001252549961 807906077 /nfs/dbraw/zinc/90/60/77/807906077.db2.gz LFNQLUNOGOQHLE-OAHLLOKOSA-N 2 2 295.427 0.600 20 30 CCEDLP C=C[C@@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001252549961 807906084 /nfs/dbraw/zinc/90/60/84/807906084.db2.gz LFNQLUNOGOQHLE-OAHLLOKOSA-N 2 2 295.427 0.600 20 30 CCEDLP CC(C)C[NH+]1CCC(N2CC[NH2+]C[C@@H]2C#N)CC1 ZINC001258010556 808648030 /nfs/dbraw/zinc/64/80/30/808648030.db2.gz CPNLMVWGTSDLFX-AWEZNQCLSA-N 2 2 250.390 0.904 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265229168 809727557 /nfs/dbraw/zinc/72/75/57/809727557.db2.gz RECRNNJCFSBDGZ-OAHLLOKOSA-N 2 2 293.411 0.313 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001265229168 809727559 /nfs/dbraw/zinc/72/75/59/809727559.db2.gz RECRNNJCFSBDGZ-OAHLLOKOSA-N 2 2 293.411 0.313 20 30 CCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001265359619 809764240 /nfs/dbraw/zinc/76/42/40/809764240.db2.gz ACLKTJNCOXFXHL-KGLIPLIRSA-N 2 2 286.379 0.563 20 30 CCEDLP C#CC[NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265790262 809853414 /nfs/dbraw/zinc/85/34/14/809853414.db2.gz JPAMSTPMXUKXEW-SNVBAGLBSA-N 2 2 256.309 0.904 20 30 CCEDLP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001267283915 811093878 /nfs/dbraw/zinc/09/38/78/811093878.db2.gz UFYYUHZQQXFFNO-AWEZNQCLSA-N 2 2 292.383 0.666 20 30 CCEDLP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001267283915 811093885 /nfs/dbraw/zinc/09/38/85/811093885.db2.gz UFYYUHZQQXFFNO-AWEZNQCLSA-N 2 2 292.383 0.666 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)CCF ZINC001267314726 811141356 /nfs/dbraw/zinc/14/13/56/811141356.db2.gz BIZOADRESOVUGJ-AWEZNQCLSA-N 2 2 283.391 0.882 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CCF ZINC001267314726 811141362 /nfs/dbraw/zinc/14/13/62/811141362.db2.gz BIZOADRESOVUGJ-AWEZNQCLSA-N 2 2 283.391 0.882 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CCF ZINC001267314726 811141368 /nfs/dbraw/zinc/14/13/68/811141368.db2.gz BIZOADRESOVUGJ-AWEZNQCLSA-N 2 2 283.391 0.882 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CCF ZINC001267314726 811141373 /nfs/dbraw/zinc/14/13/73/811141373.db2.gz BIZOADRESOVUGJ-AWEZNQCLSA-N 2 2 283.391 0.882 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038338723 811645596 /nfs/dbraw/zinc/64/55/96/811645596.db2.gz AQLIXGRCGZTVTO-CABCVRRESA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001038338723 811645602 /nfs/dbraw/zinc/64/56/02/811645602.db2.gz AQLIXGRCGZTVTO-CABCVRRESA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001038338723 811645608 /nfs/dbraw/zinc/64/56/08/811645608.db2.gz AQLIXGRCGZTVTO-CABCVRRESA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001038338723 811645614 /nfs/dbraw/zinc/64/56/14/811645614.db2.gz AQLIXGRCGZTVTO-CABCVRRESA-N 2 2 277.412 0.788 20 30 CCEDLP CC(C)C[C@@](C)(C#N)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221292407 811764656 /nfs/dbraw/zinc/76/46/56/811764656.db2.gz LFPBMLMFFWIEKN-YPMHNXCESA-N 2 2 263.345 0.724 20 30 CCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001268213283 812367468 /nfs/dbraw/zinc/36/74/68/812367468.db2.gz ZKNAEAATJRYZDZ-KGLIPLIRSA-N 2 2 288.395 0.809 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001268327284 812489387 /nfs/dbraw/zinc/48/93/87/812489387.db2.gz JXJRPUYYEARYCI-HNNXBMFYSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001268327284 812489390 /nfs/dbraw/zinc/48/93/90/812489390.db2.gz JXJRPUYYEARYCI-HNNXBMFYSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607294 815534823 /nfs/dbraw/zinc/53/48/23/815534823.db2.gz PUEMTFIZANNZFE-CABCVRRESA-N 2 2 298.346 0.133 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607294 815534825 /nfs/dbraw/zinc/53/48/25/815534825.db2.gz PUEMTFIZANNZFE-CABCVRRESA-N 2 2 298.346 0.133 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCC ZINC001268984069 813167825 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CC#CC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001270806954 813944110 /nfs/dbraw/zinc/94/41/10/813944110.db2.gz SCVLZSHMZQVUQH-UHFFFAOYSA-N 2 2 274.368 0.994 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001087741828 814201235 /nfs/dbraw/zinc/20/12/35/814201235.db2.gz CCJOZYFWANMSLQ-QWHCGFSZSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001087741828 814201237 /nfs/dbraw/zinc/20/12/37/814201237.db2.gz CCJOZYFWANMSLQ-QWHCGFSZSA-N 2 2 260.341 0.555 20 30 CCEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038453378 814311465 /nfs/dbraw/zinc/31/14/65/814311465.db2.gz YCAIRBDDDIOPGO-ZDUSSCGKSA-N 2 2 263.385 0.991 20 30 CCEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038453378 814311472 /nfs/dbraw/zinc/31/14/72/814311472.db2.gz YCAIRBDDDIOPGO-ZDUSSCGKSA-N 2 2 263.385 0.991 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088152148 814428590 /nfs/dbraw/zinc/42/85/90/814428590.db2.gz 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N#C[C@H](Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)C(N)=O ZINC001170535675 837982450 /nfs/dbraw/zinc/98/24/50/837982450.db2.gz IPWBNIQDFFCZBQ-YPMHNXCESA-N 2 2 273.340 0.009 20 30 CCEDLP N#C[C@H](Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)C(N)=O ZINC001170535675 837982461 /nfs/dbraw/zinc/98/24/61/837982461.db2.gz IPWBNIQDFFCZBQ-YPMHNXCESA-N 2 2 273.340 0.009 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195375 838332512 /nfs/dbraw/zinc/33/25/12/838332512.db2.gz NYBRTYBQHHLKPH-KBPBESRZSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[C@@H]1C ZINC001132195375 838332523 /nfs/dbraw/zinc/33/25/23/838332523.db2.gz NYBRTYBQHHLKPH-KBPBESRZSA-N 2 2 288.395 0.955 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784123 838495265 /nfs/dbraw/zinc/49/52/65/838495265.db2.gz IRTGGHAJJWOFIB-HNNXBMFYSA-N 2 2 295.427 0.912 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132784123 838495267 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C#CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073127584 854534102 /nfs/dbraw/zinc/53/41/02/854534102.db2.gz GNFOZZMVHGNHLY-UHFFFAOYSA-N 2 2 272.352 0.130 20 30 CCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073127584 854534108 /nfs/dbraw/zinc/53/41/08/854534108.db2.gz GNFOZZMVHGNHLY-UHFFFAOYSA-N 2 2 272.352 0.130 20 30 CCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985533 855061846 /nfs/dbraw/zinc/06/18/46/855061846.db2.gz DOYFWSMHFBDABB-RYUDHWBXSA-N 2 2 289.807 0.242 20 30 CCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985533 855061848 /nfs/dbraw/zinc/06/18/48/855061848.db2.gz DOYFWSMHFBDABB-RYUDHWBXSA-N 2 2 289.807 0.242 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111825004 855596332 /nfs/dbraw/zinc/59/63/32/855596332.db2.gz IBCDZPKFKHPPNS-HOCLYGCPSA-N 2 2 286.379 0.877 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111825004 855596337 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C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001281965649 904377549 /nfs/dbraw/zinc/37/75/49/904377549.db2.gz VOVQUFMYCMNOHJ-CYBMUJFWSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001281965649 904377564 /nfs/dbraw/zinc/37/75/64/904377564.db2.gz VOVQUFMYCMNOHJ-CYBMUJFWSA-N 2 2 274.368 0.898 20 30 CCEDLP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001282923509 904604294 /nfs/dbraw/zinc/60/42/94/904604294.db2.gz GDCSDVTXVRJWAI-QWHCGFSZSA-N 2 2 290.367 0.181 20 30 CCEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001327901038 914846207 /nfs/dbraw/zinc/84/62/07/914846207.db2.gz MYLIBZRXXRHZJC-VXGBXAGGSA-N 2 2 287.367 0.628 20 30 CCEDLP C=CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC001337647943 921281074 /nfs/dbraw/zinc/28/10/74/921281074.db2.gz CKIPXCQUCRHPBQ-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC001337647943 921281077 /nfs/dbraw/zinc/28/10/77/921281077.db2.gz CKIPXCQUCRHPBQ-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491594817 907430757 /nfs/dbraw/zinc/43/07/57/907430757.db2.gz JUJXVEPNMBPMFF-QWHCGFSZSA-N 2 2 262.357 0.952 20 30 CCEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491595918 907431225 /nfs/dbraw/zinc/43/12/25/907431225.db2.gz QXKPQDJKUDCJQF-UONOGXRCSA-N 2 2 292.383 0.578 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001491734914 907544474 /nfs/dbraw/zinc/54/44/74/907544474.db2.gz ULVMXTTYUGNRSO-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001492384105 907889064 /nfs/dbraw/zinc/88/90/64/907889064.db2.gz LVHMNMLPEUZDBS-OAHLLOKOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001492384105 907889075 /nfs/dbraw/zinc/88/90/75/907889075.db2.gz LVHMNMLPEUZDBS-OAHLLOKOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001492384105 907889088 /nfs/dbraw/zinc/88/90/88/907889088.db2.gz LVHMNMLPEUZDBS-OAHLLOKOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001492384105 907889105 /nfs/dbraw/zinc/88/91/05/907889105.db2.gz LVHMNMLPEUZDBS-OAHLLOKOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001318282123 909688060 /nfs/dbraw/zinc/68/80/60/909688060.db2.gz SHRPLGZXHYBHDD-KRWDZBQOSA-N 2 2 299.418 0.985 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001318282123 909688090 /nfs/dbraw/zinc/68/80/90/909688090.db2.gz SHRPLGZXHYBHDD-KRWDZBQOSA-N 2 2 299.418 0.985 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001318282123 909688112 /nfs/dbraw/zinc/68/81/12/909688112.db2.gz SHRPLGZXHYBHDD-KRWDZBQOSA-N 2 2 299.418 0.985 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001318282123 909688131 /nfs/dbraw/zinc/68/81/31/909688131.db2.gz SHRPLGZXHYBHDD-KRWDZBQOSA-N 2 2 299.418 0.985 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319208657 910037259 /nfs/dbraw/zinc/03/72/59/910037259.db2.gz LQBNTCZQLLNUSD-UONOGXRCSA-N 2 2 288.395 0.811 20 30 CCEDLP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320243476 910551775 /nfs/dbraw/zinc/55/17/75/910551775.db2.gz TWQMCCOZSGWTLE-OLZOCXBDSA-N 2 2 292.383 0.088 20 30 CCEDLP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001320778568 910861604 /nfs/dbraw/zinc/86/16/04/910861604.db2.gz CZTVRMQEAXVESD-ZDUSSCGKSA-N 2 2 274.368 0.517 20 30 CCEDLP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001321129171 911106936 /nfs/dbraw/zinc/10/69/36/911106936.db2.gz YMFJLYHSKLXGBE-OOPCZODUSA-N 2 2 274.368 0.894 20 30 CCEDLP N#CCCC[C@@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001328143012 914992016 /nfs/dbraw/zinc/99/20/16/914992016.db2.gz LRVYUCVDCLQBDG-CYBMUJFWSA-N 2 2 289.383 0.899 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001330014864 916359587 /nfs/dbraw/zinc/35/95/87/916359587.db2.gz ZFFSZQWKJWPIJK-GFCCVEGCSA-N 2 2 260.341 0.261 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331485186 917365214 /nfs/dbraw/zinc/36/52/14/917365214.db2.gz ACJGNWIGPJSTNR-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001331737719 917563013 /nfs/dbraw/zinc/56/30/13/917563013.db2.gz BUPLWDHLVMGURK-STQMWFEESA-N 2 2 292.383 0.088 20 30 CCEDLP O=C(NCC[NH2+][C@H]1CC[NH2+]C12CCC2)C1N=CC=CC1=O ZINC001333594933 919028893 /nfs/dbraw/zinc/02/88/93/919028893.db2.gz CDYDMIUSDKPUPO-FWJVZWRSSA-N 2 2 290.367 0.387 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CCC2(O)CCC2)CC1 ZINC001336796275 921014835 /nfs/dbraw/zinc/01/48/35/921014835.db2.gz JHPJTOGHYNKXQG-HNNXBMFYSA-N 2 2 280.412 0.730 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC001340065473 921942020 /nfs/dbraw/zinc/94/20/20/921942020.db2.gz ZEMJFYJVXTUUFY-ZDUSSCGKSA-N 2 2 283.416 0.897 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC001340065473 921942033 /nfs/dbraw/zinc/94/20/33/921942033.db2.gz ZEMJFYJVXTUUFY-ZDUSSCGKSA-N 2 2 283.416 0.897 20 30 CCEDLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC001342195628 922857107 /nfs/dbraw/zinc/85/71/07/922857107.db2.gz GXNFELQVIFGWSK-AWEZNQCLSA-N 2 2 293.411 0.169 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001342217841 922863848 /nfs/dbraw/zinc/86/38/48/922863848.db2.gz FQZOBIPYTCPEJN-UONOGXRCSA-N 2 2 281.400 0.603 20 30 CCEDLP C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C[NH+]1CCOCC1 ZINC000600725797 362046146 /nfs/dbraw/zinc/04/61/46/362046146.db2.gz RBSKPZNBCRMTJJ-UONOGXRCSA-N 2 2 281.400 0.599 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889824 362868885 /nfs/dbraw/zinc/86/88/85/362868885.db2.gz DXHMBILTSLZOMD-UKRRQHHQSA-N 2 2 296.415 0.135 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602889824 362868891 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C#CC[NH+]1CCC(C(=O)OCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000491147560 358292045 /nfs/dbraw/zinc/29/20/45/358292045.db2.gz SAERPIQVOVXRRL-CQSZACIVSA-N 2 2 294.395 0.596 20 30 CCEDLP N#Cc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)nc1 ZINC000569115516 358736042 /nfs/dbraw/zinc/73/60/42/358736042.db2.gz JFFKVWDTQPLYOI-UHFFFAOYSA-N 2 2 268.324 0.999 20 30 CCEDLP C[C@@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]1CCC[C@@H](C)C1 ZINC000572149169 358927553 /nfs/dbraw/zinc/92/75/53/358927553.db2.gz YCEMEHPEYXXFQC-PMPSAXMXSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC[C@@H](C)C1 ZINC000572149169 358927558 /nfs/dbraw/zinc/92/75/58/358927558.db2.gz YCEMEHPEYXXFQC-PMPSAXMXSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](CNC[C@H](O)C[NH+](C)CCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000572149169 358927562 /nfs/dbraw/zinc/92/75/62/358927562.db2.gz YCEMEHPEYXXFQC-PMPSAXMXSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](CNC[C@H](O)C[NH+](C)CCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000572149169 358927566 /nfs/dbraw/zinc/92/75/66/358927566.db2.gz YCEMEHPEYXXFQC-PMPSAXMXSA-N 2 2 296.459 0.903 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncncc3C#N)C2)CC1 ZINC000591911325 359691417 /nfs/dbraw/zinc/69/14/17/359691417.db2.gz JUXTXZJKUVNODH-ZDUSSCGKSA-N 2 2 286.383 0.351 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncncc3C#N)C2)CC1 ZINC000591911325 359691422 /nfs/dbraw/zinc/69/14/22/359691422.db2.gz JUXTXZJKUVNODH-ZDUSSCGKSA-N 2 2 286.383 0.351 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000598729188 361498997 /nfs/dbraw/zinc/49/89/97/361498997.db2.gz HIELQUSEMIPHLV-UONOGXRCSA-N 2 2 283.416 0.724 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000598729188 361499004 /nfs/dbraw/zinc/49/90/04/361499004.db2.gz HIELQUSEMIPHLV-UONOGXRCSA-N 2 2 283.416 0.724 20 30 CCEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719779 361496017 /nfs/dbraw/zinc/49/60/17/361496017.db2.gz IOKVFJZSGLFVRE-UONOGXRCSA-N 2 2 283.416 0.988 20 30 CCEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719779 361496021 /nfs/dbraw/zinc/49/60/21/361496021.db2.gz IOKVFJZSGLFVRE-UONOGXRCSA-N 2 2 283.416 0.988 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631834867 370700745 /nfs/dbraw/zinc/70/07/45/370700745.db2.gz HJEIBAXPKLHIBJ-STQMWFEESA-N 2 2 251.374 0.977 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631834867 370700749 /nfs/dbraw/zinc/70/07/49/370700749.db2.gz HJEIBAXPKLHIBJ-STQMWFEESA-N 2 2 251.374 0.977 20 30 CCEDLP CC#CC[NH2+]Cc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000656450238 412800884 /nfs/dbraw/zinc/80/08/84/412800884.db2.gz OSOJOZDBPRGLSL-UHFFFAOYSA-N 2 2 293.440 0.830 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765695 375994777 /nfs/dbraw/zinc/99/47/77/375994777.db2.gz LUTVLIHZJSBJIQ-INIZCTEOSA-N 2 2 295.427 0.576 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765695 375994786 /nfs/dbraw/zinc/99/47/86/375994786.db2.gz 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C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024365535 623300249 /nfs/dbraw/zinc/30/02/49/623300249.db2.gz CEDZGAUZRUAFBO-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001024365535 623300252 /nfs/dbraw/zinc/30/02/52/623300252.db2.gz CEDZGAUZRUAFBO-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024365535 623300266 /nfs/dbraw/zinc/30/02/66/623300266.db2.gz CEDZGAUZRUAFBO-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001020917681 624624143 /nfs/dbraw/zinc/62/41/43/624624143.db2.gz LHXZIQPOFNWVNE-JOCQHMNTSA-N 2 2 295.346 0.751 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021754563 624820336 /nfs/dbraw/zinc/82/03/36/624820336.db2.gz OEXXZFRZENBJSR-CABCVRRESA-N 2 2 286.379 0.829 20 30 CCEDLP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021754563 624820338 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C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035368430 819491117 /nfs/dbraw/zinc/49/11/17/819491117.db2.gz QXJVDNNAAOYOFY-GJZGRUSLSA-N 2 2 293.411 0.331 20 30 CCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035763337 819620117 /nfs/dbraw/zinc/62/01/17/819620117.db2.gz UDNLNTBFXKHWRG-UHFFFAOYSA-N 2 2 286.379 0.831 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001036191136 819709295 /nfs/dbraw/zinc/70/92/95/819709295.db2.gz CEVNXFCAWTTZST-DGCLKSJQSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001036315079 819724420 /nfs/dbraw/zinc/72/44/20/819724420.db2.gz PMHXBFCQGNLNQJ-CHWSQXEVSA-N 2 2 262.357 0.896 20 30 CCEDLP C#CC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000708159481 819761586 /nfs/dbraw/zinc/76/15/86/819761586.db2.gz PYQDZOVTIGLJGF-CYBMUJFWSA-N 2 2 254.374 0.148 20 30 CCEDLP C#CC1(O)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000708159481 819761591 /nfs/dbraw/zinc/76/15/91/819761591.db2.gz PYQDZOVTIGLJGF-CYBMUJFWSA-N 2 2 254.374 0.148 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036702650 820052953 /nfs/dbraw/zinc/05/29/53/820052953.db2.gz PIQFAZWNEVXNPH-ZIAGYGMSSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036702650 820052963 /nfs/dbraw/zinc/05/29/63/820052963.db2.gz PIQFAZWNEVXNPH-ZIAGYGMSSA-N 2 2 286.379 0.898 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001081437721 820773259 /nfs/dbraw/zinc/77/32/59/820773259.db2.gz DYZCGPMRSITXLN-HZSPNIEDSA-N 2 2 281.400 0.472 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001081437721 820773262 /nfs/dbraw/zinc/77/32/62/820773262.db2.gz DYZCGPMRSITXLN-HZSPNIEDSA-N 2 2 281.400 0.472 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001081437721 820773266 /nfs/dbraw/zinc/77/32/66/820773266.db2.gz DYZCGPMRSITXLN-HZSPNIEDSA-N 2 2 281.400 0.472 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001082018840 820880722 /nfs/dbraw/zinc/88/07/22/820880722.db2.gz XCNARSZHPUTSRR-ZIAGYGMSSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001082018840 820880735 /nfs/dbraw/zinc/88/07/35/820880735.db2.gz XCNARSZHPUTSRR-ZIAGYGMSSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084311537 821267397 /nfs/dbraw/zinc/26/73/97/821267397.db2.gz OWQRAGRVXVUDKX-ZIAGYGMSSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084311537 821267404 /nfs/dbraw/zinc/26/74/04/821267404.db2.gz OWQRAGRVXVUDKX-ZIAGYGMSSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866016 821414648 /nfs/dbraw/zinc/41/46/48/821414648.db2.gz OTEXKKVETSNMOL-CHWSQXEVSA-N 2 2 258.325 0.049 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866016 821414652 /nfs/dbraw/zinc/41/46/52/821414652.db2.gz OTEXKKVETSNMOL-CHWSQXEVSA-N 2 2 258.325 0.049 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090400686 821515588 /nfs/dbraw/zinc/51/55/88/821515588.db2.gz XEKYYRZIMBJNSF-HUUCEWRRSA-N 2 2 298.346 0.133 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090400686 821515596 /nfs/dbraw/zinc/51/55/96/821515596.db2.gz XEKYYRZIMBJNSF-HUUCEWRRSA-N 2 2 298.346 0.133 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC=C ZINC001085647031 821875936 /nfs/dbraw/zinc/87/59/36/821875936.db2.gz ACCMJLQQKNVGQU-CABCVRRESA-N 2 2 275.396 0.803 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC=C ZINC001085647031 821875948 /nfs/dbraw/zinc/87/59/48/821875948.db2.gz ACCMJLQQKNVGQU-CABCVRRESA-N 2 2 275.396 0.803 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC=C ZINC001085647031 821875962 /nfs/dbraw/zinc/87/59/62/821875962.db2.gz ACCMJLQQKNVGQU-CABCVRRESA-N 2 2 275.396 0.803 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC=C ZINC001085647031 821875967 /nfs/dbraw/zinc/87/59/67/821875967.db2.gz ACCMJLQQKNVGQU-CABCVRRESA-N 2 2 275.396 0.803 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001108213598 821983046 /nfs/dbraw/zinc/98/30/46/821983046.db2.gz PJNJHKOXUWAUFA-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108213598 821983052 /nfs/dbraw/zinc/98/30/52/821983052.db2.gz PJNJHKOXUWAUFA-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213598 821983059 /nfs/dbraw/zinc/98/30/59/821983059.db2.gz PJNJHKOXUWAUFA-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213598 821983063 /nfs/dbraw/zinc/98/30/63/821983063.db2.gz PJNJHKOXUWAUFA-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085982195 822054886 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N#Cc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1Cl ZINC001169072586 836125724 /nfs/dbraw/zinc/12/57/24/836125724.db2.gz PLZLGIOGLXQWCX-SECBINFHSA-N 2 2 277.715 0.654 20 30 CCEDLP Cc1cc(C#N)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209110 837991431 /nfs/dbraw/zinc/99/14/31/837991431.db2.gz GITBQKXIXAZJLL-LLVKDONJSA-N 2 2 257.297 0.310 20 30 CCEDLP C=CCOCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131652486 838167147 /nfs/dbraw/zinc/16/71/47/838167147.db2.gz HYAVAKIIRYOOPZ-UHFFFAOYSA-N 2 2 280.372 0.261 20 30 CCEDLP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664140 838691458 /nfs/dbraw/zinc/69/14/58/838691458.db2.gz MFVICQCZGVZZPQ-GFCCVEGCSA-N 2 2 292.383 0.738 20 30 CCEDLP C=CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045519 838842197 /nfs/dbraw/zinc/84/21/97/838842197.db2.gz JRGYTSMWLBYNDO-VXGBXAGGSA-N 2 2 262.357 0.806 20 30 CCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001091106235 840051098 /nfs/dbraw/zinc/05/10/98/840051098.db2.gz LKOODVHCBZKZCP-MOKVOYLWSA-N 2 2 286.379 0.563 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050016 840987190 /nfs/dbraw/zinc/98/71/90/840987190.db2.gz NBJLLYCJTKRBAZ-CJNGLKHVSA-N 2 2 286.379 0.756 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050016 840987198 /nfs/dbraw/zinc/98/71/98/840987198.db2.gz NBJLLYCJTKRBAZ-CJNGLKHVSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001273459701 841113965 /nfs/dbraw/zinc/11/39/65/841113965.db2.gz YMXGYEHMHOAUOE-CYBMUJFWSA-N 2 2 274.368 0.517 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940677 841929461 /nfs/dbraw/zinc/92/94/61/841929461.db2.gz ZQROWINDPUNHNP-KBPBESRZSA-N 2 2 292.383 0.401 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940677 841929466 /nfs/dbraw/zinc/92/94/66/841929466.db2.gz ZQROWINDPUNHNP-KBPBESRZSA-N 2 2 292.383 0.401 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194439319 846301619 /nfs/dbraw/zinc/30/16/19/846301619.db2.gz JQIUJXZFDBZLHK-AWEZNQCLSA-N 2 2 274.368 0.829 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194439319 846301629 /nfs/dbraw/zinc/30/16/29/846301629.db2.gz JQIUJXZFDBZLHK-AWEZNQCLSA-N 2 2 274.368 0.829 20 30 CCEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405365 847325840 /nfs/dbraw/zinc/32/58/40/847325840.db2.gz AZOWWDHZQDXQFF-BFHYXJOUSA-N 2 2 292.383 0.399 20 30 CCEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405365 847325848 /nfs/dbraw/zinc/32/58/48/847325848.db2.gz AZOWWDHZQDXQFF-BFHYXJOUSA-N 2 2 292.383 0.399 20 30 CCEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217599 847869013 /nfs/dbraw/zinc/86/90/13/847869013.db2.gz QYLPOGDTRUMVRD-AWEZNQCLSA-N 2 2 292.383 0.666 20 30 CCEDLP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001274141554 848360108 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853501343 /nfs/dbraw/zinc/50/13/43/853501343.db2.gz GFIBYGQFQHFGTJ-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001050981312 853501348 /nfs/dbraw/zinc/50/13/48/853501348.db2.gz GFIBYGQFQHFGTJ-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001050981312 853501356 /nfs/dbraw/zinc/50/13/56/853501356.db2.gz GFIBYGQFQHFGTJ-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001050981312 853501358 /nfs/dbraw/zinc/50/13/58/853501358.db2.gz GFIBYGQFQHFGTJ-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001074718564 854770312 /nfs/dbraw/zinc/77/03/12/854770312.db2.gz ZTBZAMGJHIABFW-IHRRRGAJSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CC[N@@H+](C[C@@H](O)CC)C1CC[NH+](C[C@@H](O)CC)CC1 ZINC001119267377 856605445 /nfs/dbraw/zinc/60/54/45/856605445.db2.gz XXPSESPDWQDFNZ-HOTGVXAUSA-N 2 2 282.428 0.928 20 30 CCEDLP C#CC[N@H+](C[C@@H](O)CC)C1CC[NH+](C[C@@H](O)CC)CC1 ZINC001119267377 856605447 /nfs/dbraw/zinc/60/54/47/856605447.db2.gz XXPSESPDWQDFNZ-HOTGVXAUSA-N 2 2 282.428 0.928 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC001120501671 857097257 /nfs/dbraw/zinc/09/72/57/857097257.db2.gz XRDJMEHCCHHRRS-AWEZNQCLSA-N 2 2 263.385 0.974 20 30 CCEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001323478853 912362265 /nfs/dbraw/zinc/36/22/65/912362265.db2.gz AKQQDAAFXIXSGD-CYBMUJFWSA-N 2 2 286.379 0.707 20 30 CCEDLP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001496387975 892601714 /nfs/dbraw/zinc/60/17/14/892601714.db2.gz FUAJDRFNVTUGLZ-HUUCEWRRSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001496387975 892601719 /nfs/dbraw/zinc/60/17/19/892601719.db2.gz FUAJDRFNVTUGLZ-HUUCEWRRSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001496431245 892835155 /nfs/dbraw/zinc/83/51/55/892835155.db2.gz VUGVSWHRFADNHO-CQSZACIVSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001481683503 892996349 /nfs/dbraw/zinc/99/63/49/892996349.db2.gz WIZXFZBLWMGLHM-GJZGRUSLSA-N 2 2 275.396 0.781 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001481683503 892996354 /nfs/dbraw/zinc/99/63/54/892996354.db2.gz WIZXFZBLWMGLHM-GJZGRUSLSA-N 2 2 275.396 0.781 20 30 CCEDLP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001481710266 893070201 /nfs/dbraw/zinc/07/02/01/893070201.db2.gz TVEULAISTCTQAN-MRXNPFEDSA-N 2 2 285.391 0.942 20 30 CCEDLP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001481710266 893070223 /nfs/dbraw/zinc/07/02/23/893070223.db2.gz TVEULAISTCTQAN-MRXNPFEDSA-N 2 2 285.391 0.942 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001481710266 893070242 /nfs/dbraw/zinc/07/02/42/893070242.db2.gz TVEULAISTCTQAN-MRXNPFEDSA-N 2 2 285.391 0.942 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001481710266 893070264 /nfs/dbraw/zinc/07/02/64/893070264.db2.gz TVEULAISTCTQAN-MRXNPFEDSA-N 2 2 285.391 0.942 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482301979 893811532 /nfs/dbraw/zinc/81/15/32/893811532.db2.gz YDKQBZGZIATHJW-CHWSQXEVSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001482501803 894163958 /nfs/dbraw/zinc/16/39/58/894163958.db2.gz UFYUANPKAJUBDW-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001483175980 895061025 /nfs/dbraw/zinc/06/10/25/895061025.db2.gz YFXQKPWZXKJQNT-QWHCGFSZSA-N 2 2 292.383 0.332 20 30 CCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001483175980 895061042 /nfs/dbraw/zinc/06/10/42/895061042.db2.gz YFXQKPWZXKJQNT-QWHCGFSZSA-N 2 2 292.383 0.332 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001484609176 896497159 /nfs/dbraw/zinc/49/71/59/896497159.db2.gz JUHBGRNBEHYSRT-ZIAGYGMSSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001484609176 896497161 /nfs/dbraw/zinc/49/71/61/896497161.db2.gz JUHBGRNBEHYSRT-ZIAGYGMSSA-N 2 2 283.416 0.720 20 30 CCEDLP C#CC[NH2+]C[C@H](CCCC)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485471313 897062919 /nfs/dbraw/zinc/06/29/19/897062919.db2.gz YXHJMLBPRPKSQP-LBPRGKRZSA-N 2 2 262.357 0.850 20 30 CCEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001485688143 897185055 /nfs/dbraw/zinc/18/50/55/897185055.db2.gz XWWIGTYEXNLZFL-MGPQQGTHSA-N 2 2 286.379 0.563 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001032400597 897449978 /nfs/dbraw/zinc/44/99/78/897449978.db2.gz OGAFAAMYWTUINS-SOUVJXGZSA-N 2 2 275.396 0.778 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001032400597 897450007 /nfs/dbraw/zinc/45/00/07/897450007.db2.gz OGAFAAMYWTUINS-SOUVJXGZSA-N 2 2 275.396 0.778 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001032400597 897450015 /nfs/dbraw/zinc/45/00/15/897450015.db2.gz OGAFAAMYWTUINS-SOUVJXGZSA-N 2 2 275.396 0.778 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001032400597 897450023 /nfs/dbraw/zinc/45/00/23/897450023.db2.gz OGAFAAMYWTUINS-SOUVJXGZSA-N 2 2 275.396 0.778 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550529 897737767 /nfs/dbraw/zinc/73/77/67/897737767.db2.gz WAJNCRNWNSSRJI-KBPBESRZSA-N 2 2 272.352 0.582 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550529 897737781 /nfs/dbraw/zinc/73/77/81/897737781.db2.gz WAJNCRNWNSSRJI-KBPBESRZSA-N 2 2 272.352 0.582 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032609775 897821310 /nfs/dbraw/zinc/82/13/10/897821310.db2.gz KKDLGJGUTZKNEL-SOUVJXGZSA-N 2 2 277.412 0.881 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032609775 897821321 /nfs/dbraw/zinc/82/13/21/897821321.db2.gz KKDLGJGUTZKNEL-SOUVJXGZSA-N 2 2 277.412 0.881 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001272868231 898096200 /nfs/dbraw/zinc/09/62/00/898096200.db2.gz DBZLYDLYQYEEIY-CQSZACIVSA-N 2 2 292.383 0.585 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001272868231 898096210 /nfs/dbraw/zinc/09/62/10/898096210.db2.gz DBZLYDLYQYEEIY-CQSZACIVSA-N 2 2 292.383 0.585 20 30 CCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022500 898144938 /nfs/dbraw/zinc/14/49/38/898144938.db2.gz JJAQFGVEXUVRDR-ZBFHGGJFSA-N 2 2 295.427 0.557 20 30 CCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108022500 898144949 /nfs/dbraw/zinc/14/49/49/898144949.db2.gz JJAQFGVEXUVRDR-ZBFHGGJFSA-N 2 2 295.427 0.557 20 30 CCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001485893307 898493924 /nfs/dbraw/zinc/49/39/24/898493924.db2.gz JGXCNBAUIJNNHE-NSHDSACASA-N 2 2 278.356 0.420 20 30 CCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001326989327 914306733 /nfs/dbraw/zinc/30/67/33/914306733.db2.gz UUWNIONXNJBRCQ-CQSZACIVSA-N 2 2 292.383 0.735 20 30 CCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001326989327 914306751 /nfs/dbraw/zinc/30/67/51/914306751.db2.gz UUWNIONXNJBRCQ-CQSZACIVSA-N 2 2 292.383 0.735 20 30 CCEDLP C#CC[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001490414473 900624294 /nfs/dbraw/zinc/62/42/94/900624294.db2.gz IBPUYAZIVQHWRW-UHFFFAOYSA-N 2 2 274.368 0.829 20 30 CCEDLP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001281191679 904241252 /nfs/dbraw/zinc/24/12/52/904241252.db2.gz HQYTZJAIHAEHGD-HNNXBMFYSA-N 2 2 292.383 0.402 20 30 CCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001281724133 904336045 /nfs/dbraw/zinc/33/60/45/904336045.db2.gz DQXFMRIFHRAXMK-LBPRGKRZSA-N 2 2 275.352 0.750 20 30 CCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001283692550 904964378 /nfs/dbraw/zinc/96/43/78/904964378.db2.gz RAGFBBLJCJCWDD-RYUDHWBXSA-N 2 2 262.357 0.658 20 30 CCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001283692550 904964392 /nfs/dbraw/zinc/96/43/92/904964392.db2.gz RAGFBBLJCJCWDD-RYUDHWBXSA-N 2 2 262.357 0.658 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001319206614 910036817 /nfs/dbraw/zinc/03/68/17/910036817.db2.gz DZNDZTIQJDTNOF-OLZOCXBDSA-N 2 2 274.368 0.421 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319561624 910202987 /nfs/dbraw/zinc/20/29/87/910202987.db2.gz YJEZFMGSLILJSS-LBPRGKRZSA-N 2 2 262.357 0.422 20 30 CCEDLP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001329173522 915727927 /nfs/dbraw/zinc/72/79/27/915727927.db2.gz QZTUONDMNQSIHZ-MNOVXSKESA-N 2 2 262.357 0.767 20 30 CCEDLP C=CC[N@@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001329473643 915951105 /nfs/dbraw/zinc/95/11/05/915951105.db2.gz BELASGYTICXKCZ-LLVKDONJSA-N 2 2 280.372 0.972 20 30 CCEDLP C=CC[N@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001329473643 915951121 /nfs/dbraw/zinc/95/11/21/915951121.db2.gz BELASGYTICXKCZ-LLVKDONJSA-N 2 2 280.372 0.972 20 30 CCEDLP C=CCOCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001330054525 916386479 /nfs/dbraw/zinc/38/64/79/916386479.db2.gz PFPZBPNPVSKLSK-LBPRGKRZSA-N 2 2 292.383 0.591 20 30 CCEDLP C=CCO[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001336193335 920649630 /nfs/dbraw/zinc/64/96/30/920649630.db2.gz QUEMZLYJBXQTJL-AWEZNQCLSA-N 2 2 296.415 0.396 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC001340494032 922099441 /nfs/dbraw/zinc/09/94/41/922099441.db2.gz JGYFQQOUFRTUBM-UHFFFAOYSA-N 2 2 285.391 0.862 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000600743414 362053310 /nfs/dbraw/zinc/05/33/10/362053310.db2.gz MDUKYTWKTQPQOP-KGLIPLIRSA-N 2 2 281.400 0.478 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000600743414 362053315 /nfs/dbraw/zinc/05/33/15/362053315.db2.gz MDUKYTWKTQPQOP-KGLIPLIRSA-N 2 2 281.400 0.478 20 30 CCEDLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(C#N)CCCCC2)CC1 ZINC000600754824 362056196 /nfs/dbraw/zinc/05/61/96/362056196.db2.gz CIWMWBWBWCYPCW-HNNXBMFYSA-N 2 2 294.443 0.658 20 30 CCEDLP N#CC1(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000408152935 260296759 /nfs/dbraw/zinc/29/67/59/260296759.db2.gz GNDCCTRHBIEVSX-UHFFFAOYSA-N 2 2 279.384 0.449 20 30 CCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602544576 362668384 /nfs/dbraw/zinc/66/83/84/362668384.db2.gz HKNNZVOIMANOBV-JXQTWKCFSA-N 2 2 250.390 0.904 20 30 CCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602544576 362668389 /nfs/dbraw/zinc/66/83/89/362668389.db2.gz HKNNZVOIMANOBV-JXQTWKCFSA-N 2 2 250.390 0.904 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081633313 349278031 /nfs/dbraw/zinc/27/80/31/349278031.db2.gz TUBKNHWDXNZJQM-AWEZNQCLSA-N 2 2 265.401 0.952 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633313 349278034 /nfs/dbraw/zinc/27/80/34/349278034.db2.gz TUBKNHWDXNZJQM-AWEZNQCLSA-N 2 2 265.401 0.952 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633313 349278039 /nfs/dbraw/zinc/27/80/39/349278039.db2.gz TUBKNHWDXNZJQM-AWEZNQCLSA-N 2 2 265.401 0.952 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633313 349278043 /nfs/dbraw/zinc/27/80/43/349278043.db2.gz TUBKNHWDXNZJQM-AWEZNQCLSA-N 2 2 265.401 0.952 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618566869 366048914 /nfs/dbraw/zinc/04/89/14/366048914.db2.gz NGTKKWJVDQCVIG-CHWSQXEVSA-N 2 2 264.373 0.432 20 30 CCEDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1C#N ZINC000227231453 352041505 /nfs/dbraw/zinc/04/15/05/352041505.db2.gz UMMHRPXIKGFOMG-HNNXBMFYSA-N 2 2 288.395 0.902 20 30 CCEDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1C#N ZINC000227231453 352041509 /nfs/dbraw/zinc/04/15/09/352041509.db2.gz UMMHRPXIKGFOMG-HNNXBMFYSA-N 2 2 288.395 0.902 20 30 CCEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2C#N)[C@H](C[NH3+])C1 ZINC000556964696 291018059 /nfs/dbraw/zinc/01/80/59/291018059.db2.gz KOTWHWUJFUAAER-GFCCVEGCSA-N 2 2 291.330 0.804 20 30 CCEDLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2C#N)[C@H](C[NH3+])C1 ZINC000556964696 291018060 /nfs/dbraw/zinc/01/80/60/291018060.db2.gz KOTWHWUJFUAAER-GFCCVEGCSA-N 2 2 291.330 0.804 20 30 CCEDLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2C#N)[C@@H](C[NH3+])C1 ZINC000556964703 291018213 /nfs/dbraw/zinc/01/82/13/291018213.db2.gz KOTWHWUJFUAAER-LBPRGKRZSA-N 2 2 291.330 0.804 20 30 CCEDLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2C#N)[C@@H](C[NH3+])C1 ZINC000556964703 291018215 /nfs/dbraw/zinc/01/82/15/291018215.db2.gz KOTWHWUJFUAAER-LBPRGKRZSA-N 2 2 291.330 0.804 20 30 CCEDLP Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(C#N)c[nH+]1 ZINC000425229904 235275689 /nfs/dbraw/zinc/27/56/89/235275689.db2.gz QWOKBAMTNWCKRT-CQSZACIVSA-N 2 2 287.367 0.435 20 30 CCEDLP Cc1cc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c(C#N)c[nH+]1 ZINC000425229904 235275691 /nfs/dbraw/zinc/27/56/91/235275691.db2.gz QWOKBAMTNWCKRT-CQSZACIVSA-N 2 2 287.367 0.435 20 30 CCEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000619672797 366318036 /nfs/dbraw/zinc/31/80/36/366318036.db2.gz BAFKMRAXZIENID-OAGGEKHMSA-N 2 2 292.427 0.675 20 30 CCEDLP C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000619718159 366337635 /nfs/dbraw/zinc/33/76/35/366337635.db2.gz BTPFWQPTDFLWMQ-LSDHHAIUSA-N 2 2 295.427 0.814 20 30 CCEDLP C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000619718159 366337640 /nfs/dbraw/zinc/33/76/40/366337640.db2.gz BTPFWQPTDFLWMQ-LSDHHAIUSA-N 2 2 295.427 0.814 20 30 CCEDLP C=CCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362840281 357056945 /nfs/dbraw/zinc/05/69/45/357056945.db2.gz SNSSMMSCFCVSQR-CYBMUJFWSA-N 2 2 251.374 0.849 20 30 CCEDLP C=CCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362840281 357056952 /nfs/dbraw/zinc/05/69/52/357056952.db2.gz SNSSMMSCFCVSQR-CYBMUJFWSA-N 2 2 251.374 0.849 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCc2[nH]c[nH+]c2C)CC1 ZINC000490778673 358290867 /nfs/dbraw/zinc/29/08/67/358290867.db2.gz ISRRIJLGNSCOHF-UHFFFAOYSA-N 2 2 260.341 0.680 20 30 CCEDLP N#Cc1cccc2c1C[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000593730982 360143395 /nfs/dbraw/zinc/14/33/95/360143395.db2.gz QKJADEAYIHAGRA-UHFFFAOYSA-N 2 2 256.353 0.779 20 30 CCEDLP N#Cc1cccc2c1C[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000593730982 360143398 /nfs/dbraw/zinc/14/33/98/360143398.db2.gz QKJADEAYIHAGRA-UHFFFAOYSA-N 2 2 256.353 0.779 20 30 CCEDLP C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000594282635 360267988 /nfs/dbraw/zinc/26/79/88/360267988.db2.gz UYUUHBNHHRVWCF-LBPRGKRZSA-N 2 2 264.373 0.431 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccnc(C#N)n3)C2)CC1 ZINC000594556060 360331277 /nfs/dbraw/zinc/33/12/77/360331277.db2.gz MQFUVGLJEOBBTF-GFCCVEGCSA-N 2 2 286.383 0.351 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccnc(C#N)n3)C2)CC1 ZINC000594556060 360331280 /nfs/dbraw/zinc/33/12/80/360331280.db2.gz MQFUVGLJEOBBTF-GFCCVEGCSA-N 2 2 286.383 0.351 20 30 CCEDLP 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CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000570921110 390724467 /nfs/dbraw/zinc/72/44/67/390724467.db2.gz MWDIYOZZSQPRAI-HOTGVXAUSA-N 2 2 294.443 0.799 20 30 CCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000570921110 390724469 /nfs/dbraw/zinc/72/44/69/390724469.db2.gz MWDIYOZZSQPRAI-HOTGVXAUSA-N 2 2 294.443 0.799 20 30 CCEDLP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1C#N ZINC000190855569 130154424 /nfs/dbraw/zinc/15/44/24/130154424.db2.gz MZHJYJRKJGYIAW-HNNXBMFYSA-N 2 2 276.384 0.833 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320503 414709501 /nfs/dbraw/zinc/70/95/01/414709501.db2.gz UXOJMRQIBQWFJS-KBPBESRZSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320503 414709502 /nfs/dbraw/zinc/70/95/02/414709502.db2.gz UXOJMRQIBQWFJS-KBPBESRZSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC000662078666 414689826 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CCEDLP C=CCNC(=O)CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343256919 264222833 /nfs/dbraw/zinc/22/28/33/264222833.db2.gz DRPROIJSHFQHKV-UHFFFAOYSA-N 2 2 291.399 0.193 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652134 266339949 /nfs/dbraw/zinc/33/99/49/266339949.db2.gz UNCGRKIALIYCCQ-CYBMUJFWSA-N 2 2 296.415 0.135 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652134 266339953 /nfs/dbraw/zinc/33/99/53/266339953.db2.gz UNCGRKIALIYCCQ-CYBMUJFWSA-N 2 2 296.415 0.135 20 30 CCEDLP C=C[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340250776 328250828 /nfs/dbraw/zinc/25/08/28/328250828.db2.gz FWCCHTJQBDUCDM-LBPRGKRZSA-N 2 2 268.405 0.886 20 30 CCEDLP C[C@@H]1CN(C(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)CCO1 ZINC000262451574 330014044 /nfs/dbraw/zinc/01/40/44/330014044.db2.gz JYCUEDYULFLGAJ-SNVBAGLBSA-N 2 2 280.376 0.022 20 30 CCEDLP CC(C)(CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424131475 330262589 /nfs/dbraw/zinc/26/25/89/330262589.db2.gz GSDBXHJTMYCQCV-LBPRGKRZSA-N 2 2 282.388 0.235 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000490804609 332117148 /nfs/dbraw/zinc/11/71/48/332117148.db2.gz ZMWJTIKWANYULJ-CYBMUJFWSA-N 2 2 251.374 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000490804609 332117150 /nfs/dbraw/zinc/11/71/50/332117150.db2.gz ZMWJTIKWANYULJ-CYBMUJFWSA-N 2 2 251.374 0.542 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)CC2(C)C)CC1 ZINC000490740626 332111107 /nfs/dbraw/zinc/11/11/07/332111107.db2.gz MCVNCZZZLVROMG-AWEZNQCLSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)CC2(C)C)CC1 ZINC000490740626 332111109 /nfs/dbraw/zinc/11/11/09/332111109.db2.gz MCVNCZZZLVROMG-AWEZNQCLSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)CC2(C)C)CC1 ZINC000490740627 332111292 /nfs/dbraw/zinc/11/12/92/332111292.db2.gz MCVNCZZZLVROMG-CQSZACIVSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)CC2(C)C)CC1 ZINC000490740627 332111294 /nfs/dbraw/zinc/11/12/94/332111294.db2.gz MCVNCZZZLVROMG-CQSZACIVSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)CC2)CC1 ZINC000490761210 332113273 /nfs/dbraw/zinc/11/32/73/332113273.db2.gz SIYANZXYVUGYMX-OAHLLOKOSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[N@@H+](C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000491103867 332150070 /nfs/dbraw/zinc/15/00/70/332150070.db2.gz QSULTIUIVCYFPU-UHFFFAOYSA-N 2 2 262.361 0.035 20 30 CCEDLP C#CC[N@H+](C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000491103867 332150071 /nfs/dbraw/zinc/15/00/71/332150071.db2.gz QSULTIUIVCYFPU-UHFFFAOYSA-N 2 2 262.361 0.035 20 30 CCEDLP C#CC[N@@H+](C)CCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000491103867 332150072 /nfs/dbraw/zinc/15/00/72/332150072.db2.gz QSULTIUIVCYFPU-UHFFFAOYSA-N 2 2 262.361 0.035 20 30 CCEDLP C#CC[N@H+](C)CCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000491103867 332150073 /nfs/dbraw/zinc/15/00/73/332150073.db2.gz QSULTIUIVCYFPU-UHFFFAOYSA-N 2 2 262.361 0.035 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)CC1 ZINC000491382553 332201421 /nfs/dbraw/zinc/20/14/21/332201421.db2.gz IUBAHBHLBYNOLQ-ZNMIVQPWSA-N 2 2 277.412 0.740 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)CC1 ZINC000491382553 332201422 /nfs/dbraw/zinc/20/14/22/332201422.db2.gz IUBAHBHLBYNOLQ-ZNMIVQPWSA-N 2 2 277.412 0.740 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491568224 332239834 /nfs/dbraw/zinc/23/98/34/332239834.db2.gz PKYDJTVEFMJVMR-OKILXGFUSA-N 2 2 281.400 0.215 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491568224 332239835 /nfs/dbraw/zinc/23/98/35/332239835.db2.gz PKYDJTVEFMJVMR-OKILXGFUSA-N 2 2 281.400 0.215 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000491663992 332272971 /nfs/dbraw/zinc/27/29/71/332272971.db2.gz PWORARGATZXQDR-UHFFFAOYSA-N 2 2 260.341 0.382 20 30 CCEDLP C#C[C@@H](CO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491783260 332346684 /nfs/dbraw/zinc/34/66/84/332346684.db2.gz NNRAOFVEHYZERT-KBPBESRZSA-N 2 2 287.363 0.598 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)[C@H](C)CCC)CC1 ZINC000491792102 332352827 /nfs/dbraw/zinc/35/28/27/332352827.db2.gz DEUMSSHKTWWWNS-HUUCEWRRSA-N 2 2 295.427 0.151 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CSC)CC1 ZINC000135460154 334130599 /nfs/dbraw/zinc/13/05/99/334130599.db2.gz LIEMJGPOCJDGQX-CQSZACIVSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CSC)CC1 ZINC000135460154 334130600 /nfs/dbraw/zinc/13/06/00/334130600.db2.gz LIEMJGPOCJDGQX-CQSZACIVSA-N 2 2 295.452 0.591 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581127436 336011859 /nfs/dbraw/zinc/01/18/59/336011859.db2.gz TZIGLSQWFGFKDP-NPJQDHAYSA-N 2 2 298.427 0.637 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581127436 336011860 /nfs/dbraw/zinc/01/18/60/336011860.db2.gz TZIGLSQWFGFKDP-NPJQDHAYSA-N 2 2 298.427 0.637 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccncc3C#N)C2)CC1 ZINC000368373346 536339736 /nfs/dbraw/zinc/33/97/36/536339736.db2.gz CXGWIAWIGJNYQU-CQSZACIVSA-N 2 2 285.395 0.956 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccncc3C#N)C2)CC1 ZINC000368373346 536339737 /nfs/dbraw/zinc/33/97/37/536339737.db2.gz CXGWIAWIGJNYQU-CQSZACIVSA-N 2 2 285.395 0.956 20 30 CCEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCCC#N)C2)C1 ZINC000795335362 581404419 /nfs/dbraw/zinc/40/44/19/581404419.db2.gz OFLZEHMPNMCESR-ZDUSSCGKSA-N 2 2 250.346 0.044 20 30 CCEDLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCCC#N)C2)C1 ZINC000795335362 581404421 /nfs/dbraw/zinc/40/44/21/581404421.db2.gz OFLZEHMPNMCESR-ZDUSSCGKSA-N 2 2 250.346 0.044 20 30 CCEDLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCCC#N)C2)C1 ZINC000795335362 581404423 /nfs/dbraw/zinc/40/44/23/581404423.db2.gz OFLZEHMPNMCESR-ZDUSSCGKSA-N 2 2 250.346 0.044 20 30 CCEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCCC#N)C2)C1 ZINC000795335362 581404425 /nfs/dbraw/zinc/40/44/25/581404425.db2.gz OFLZEHMPNMCESR-ZDUSSCGKSA-N 2 2 250.346 0.044 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000730097850 581645400 /nfs/dbraw/zinc/64/54/00/581645400.db2.gz MSSPVGWNTCXUTR-AWEZNQCLSA-N 2 2 263.385 0.686 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCCC1 ZINC000730097850 581645404 /nfs/dbraw/zinc/64/54/04/581645404.db2.gz MSSPVGWNTCXUTR-AWEZNQCLSA-N 2 2 263.385 0.686 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000730285632 581691979 /nfs/dbraw/zinc/69/19/79/581691979.db2.gz BAVNXQUNAVSWOP-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCOC)C1 ZINC000730285632 581691982 /nfs/dbraw/zinc/69/19/82/581691982.db2.gz BAVNXQUNAVSWOP-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCOC)C1 ZINC000730285632 581691986 /nfs/dbraw/zinc/69/19/86/581691986.db2.gz BAVNXQUNAVSWOP-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCOC)C1 ZINC000730285632 581691988 /nfs/dbraw/zinc/69/19/88/581691988.db2.gz BAVNXQUNAVSWOP-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C=CCNC(=S)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000749003976 581994214 /nfs/dbraw/zinc/99/42/14/581994214.db2.gz AXPLTDMLXGFKBF-UHFFFAOYSA-N 2 2 270.446 0.663 20 30 CCEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCCC#N)CC1 ZINC000749393386 582006384 /nfs/dbraw/zinc/00/63/84/582006384.db2.gz GXTXVJCOWBCTBM-UHFFFAOYSA-N 2 2 266.389 0.821 20 30 CCEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCCC#N)CC1 ZINC000749393386 582006387 /nfs/dbraw/zinc/00/63/87/582006387.db2.gz GXTXVJCOWBCTBM-UHFFFAOYSA-N 2 2 266.389 0.821 20 30 CCEDLP N#CCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738335933 582037760 /nfs/dbraw/zinc/03/77/60/582037760.db2.gz VINJBWBCYYYCQR-CQSZACIVSA-N 2 2 278.400 0.967 20 30 CCEDLP N#CCCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738335933 582037761 /nfs/dbraw/zinc/03/77/61/582037761.db2.gz VINJBWBCYYYCQR-CQSZACIVSA-N 2 2 278.400 0.967 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000764222989 582037935 /nfs/dbraw/zinc/03/79/35/582037935.db2.gz KGKKQVNJBFHLCB-UHFFFAOYSA-N 2 2 262.357 0.882 20 30 CCEDLP C#CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000963955340 612955626 /nfs/dbraw/zinc/95/56/26/612955626.db2.gz LABNOAOXFLJNBQ-UHFFFAOYSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000847014464 612964508 /nfs/dbraw/zinc/96/45/08/612964508.db2.gz XQQSSWXJOQFVGC-AWEZNQCLSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000847014464 612964507 /nfs/dbraw/zinc/96/45/07/612964507.db2.gz XQQSSWXJOQFVGC-AWEZNQCLSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948090066 613027195 /nfs/dbraw/zinc/02/71/95/613027195.db2.gz GIRPEKNRMWRHOP-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948090066 613027196 /nfs/dbraw/zinc/02/71/96/613027196.db2.gz GIRPEKNRMWRHOP-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646520 613031297 /nfs/dbraw/zinc/03/12/97/613031297.db2.gz LTDCZSJLCDQCDY-CYBMUJFWSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646520 613031298 /nfs/dbraw/zinc/03/12/98/613031298.db2.gz LTDCZSJLCDQCDY-CYBMUJFWSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)CCCn1cc[nH+]c1 ZINC000818584618 613072720 /nfs/dbraw/zinc/07/27/20/613072720.db2.gz RKBWDXFDHHHMMK-UHFFFAOYSA-N 2 2 262.357 0.735 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)CCCn1cc[nH+]c1 ZINC000818584618 613072721 /nfs/dbraw/zinc/07/27/21/613072721.db2.gz RKBWDXFDHHHMMK-UHFFFAOYSA-N 2 2 262.357 0.735 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000857886559 613132160 /nfs/dbraw/zinc/13/21/60/613132160.db2.gz AMMVXGGWTBWTMI-ZDUSSCGKSA-N 2 2 272.352 0.269 20 30 CCEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000928654978 613135967 /nfs/dbraw/zinc/13/59/67/613135967.db2.gz OTSMWMPLNLOTOB-CYBMUJFWSA-N 2 2 295.452 0.638 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000923549317 613166731 /nfs/dbraw/zinc/16/67/31/613166731.db2.gz HRBLTLNJYLYUHD-CYBMUJFWSA-N 2 2 260.341 0.405 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000923549317 613166732 /nfs/dbraw/zinc/16/67/32/613166732.db2.gz HRBLTLNJYLYUHD-CYBMUJFWSA-N 2 2 260.341 0.405 20 30 CCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2CC)C1 ZINC000890363408 613183913 /nfs/dbraw/zinc/18/39/13/613183913.db2.gz OCRYEGOWWOXIQE-GJZGRUSLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2CC)C1 ZINC000890363408 613183914 /nfs/dbraw/zinc/18/39/14/613183914.db2.gz OCRYEGOWWOXIQE-GJZGRUSLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2CC)C1 ZINC000890363408 613183915 /nfs/dbraw/zinc/18/39/15/613183915.db2.gz OCRYEGOWWOXIQE-GJZGRUSLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2CC)C1 ZINC000890363408 613183917 /nfs/dbraw/zinc/18/39/17/613183917.db2.gz OCRYEGOWWOXIQE-GJZGRUSLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC)CC2)C1 ZINC000890376344 613183931 /nfs/dbraw/zinc/18/39/31/613183931.db2.gz FFYWPTNMFAKIRI-AWEZNQCLSA-N 2 2 278.400 0.431 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC)CC2)C1 ZINC000890376344 613183932 /nfs/dbraw/zinc/18/39/32/613183932.db2.gz FFYWPTNMFAKIRI-AWEZNQCLSA-N 2 2 278.400 0.431 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000923560945 613190352 /nfs/dbraw/zinc/19/03/52/613190352.db2.gz NQSXKZSFZOGIBP-DZGCQCFKSA-N 2 2 275.396 0.827 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000923560945 613190355 /nfs/dbraw/zinc/19/03/55/613190355.db2.gz NQSXKZSFZOGIBP-DZGCQCFKSA-N 2 2 275.396 0.827 20 30 CCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000923560945 613190356 /nfs/dbraw/zinc/19/03/56/613190356.db2.gz NQSXKZSFZOGIBP-DZGCQCFKSA-N 2 2 275.396 0.827 20 30 CCEDLP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000923560945 613190358 /nfs/dbraw/zinc/19/03/58/613190358.db2.gz NQSXKZSFZOGIBP-DZGCQCFKSA-N 2 2 275.396 0.827 20 30 CCEDLP C#CCN1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000886664266 613192178 /nfs/dbraw/zinc/19/21/78/613192178.db2.gz HUOUBIBTXVFPNW-DLBZAZTESA-N 2 2 291.439 0.927 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCF)C1 ZINC000971703390 613195608 /nfs/dbraw/zinc/19/56/08/613195608.db2.gz GPNWQVRUUYLECI-KGLIPLIRSA-N 2 2 281.375 0.586 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCF)C1 ZINC000971703390 613195609 /nfs/dbraw/zinc/19/56/09/613195609.db2.gz GPNWQVRUUYLECI-KGLIPLIRSA-N 2 2 281.375 0.586 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCF)C1 ZINC000971703390 613195610 /nfs/dbraw/zinc/19/56/10/613195610.db2.gz GPNWQVRUUYLECI-KGLIPLIRSA-N 2 2 281.375 0.586 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCF)C1 ZINC000971703390 613195611 /nfs/dbraw/zinc/19/56/11/613195611.db2.gz GPNWQVRUUYLECI-KGLIPLIRSA-N 2 2 281.375 0.586 20 30 CCEDLP CNC(NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1)=[NH+]C ZINC000864357978 613218722 /nfs/dbraw/zinc/21/87/22/613218722.db2.gz CHOKCLKISLWLFY-HNNXBMFYSA-N 2 2 290.411 0.991 20 30 CCEDLP CNC(NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1)=[NH+]C ZINC000864357978 613218725 /nfs/dbraw/zinc/21/87/25/613218725.db2.gz CHOKCLKISLWLFY-HNNXBMFYSA-N 2 2 290.411 0.991 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928559 613227293 /nfs/dbraw/zinc/22/72/93/613227293.db2.gz CPVYIKCEMAYQCG-CHWSQXEVSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928559 613227295 /nfs/dbraw/zinc/22/72/95/613227295.db2.gz CPVYIKCEMAYQCG-CHWSQXEVSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968652394 613246616 /nfs/dbraw/zinc/24/66/16/613246616.db2.gz RNGABWQHPDXJEX-KBPBESRZSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968652394 613246617 /nfs/dbraw/zinc/24/66/17/613246617.db2.gz RNGABWQHPDXJEX-KBPBESRZSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944079061 613261199 /nfs/dbraw/zinc/26/11/99/613261199.db2.gz JGRAIENXMSNDDP-JSGCOSHPSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944079061 613261201 /nfs/dbraw/zinc/26/12/01/613261201.db2.gz JGRAIENXMSNDDP-JSGCOSHPSA-N 2 2 274.368 0.422 20 30 CCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939857737 613350087 /nfs/dbraw/zinc/35/00/87/613350087.db2.gz VCDOIUDLTOWJHE-CHWSQXEVSA-N 2 2 262.357 0.896 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000900867595 613363689 /nfs/dbraw/zinc/36/36/89/613363689.db2.gz VCRYTQCJKPYTAW-OAHLLOKOSA-N 2 2 295.427 0.818 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000928652075 613366693 /nfs/dbraw/zinc/36/66/93/613366693.db2.gz VHHQBJYNUFHNFQ-ZDUSSCGKSA-N 2 2 269.389 0.331 20 30 CCEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000852751050 613377520 /nfs/dbraw/zinc/37/75/20/613377520.db2.gz NUNWDIUNVYYCCN-CHWSQXEVSA-N 2 2 298.818 0.959 20 30 CCEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000852751050 613377521 /nfs/dbraw/zinc/37/75/21/613377521.db2.gz NUNWDIUNVYYCCN-CHWSQXEVSA-N 2 2 298.818 0.959 20 30 CCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876965787 613387517 /nfs/dbraw/zinc/38/75/17/613387517.db2.gz JXKAPMACIRPXEJ-VXGBXAGGSA-N 2 2 287.791 0.389 20 30 CCEDLP C=CC[C@@H](C(=O)OC)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000878315087 613396514 /nfs/dbraw/zinc/39/65/14/613396514.db2.gz FTAICQGXATYWMI-AWEZNQCLSA-N 2 2 283.416 0.673 20 30 CCEDLP C=CC[C@@H](C(=O)OC)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000878315087 613396515 /nfs/dbraw/zinc/39/65/15/613396515.db2.gz FTAICQGXATYWMI-AWEZNQCLSA-N 2 2 283.416 0.673 20 30 CCEDLP C=CCC[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000957667735 613505173 /nfs/dbraw/zinc/50/51/73/613505173.db2.gz PGKQPUVWNFEGJD-HNNXBMFYSA-N 2 2 295.427 0.675 20 30 CCEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036693 613542334 /nfs/dbraw/zinc/54/23/34/613542334.db2.gz NHZJJQLLCKBCMB-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036693 613542335 /nfs/dbraw/zinc/54/23/35/613542335.db2.gz NHZJJQLLCKBCMB-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP CC#CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982215237 613547247 /nfs/dbraw/zinc/54/72/47/613547247.db2.gz VAHKKMGVDUIKRG-UHFFFAOYSA-N 2 2 293.411 0.266 20 30 CCEDLP CC#CC[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982215237 613547249 /nfs/dbraw/zinc/54/72/49/613547249.db2.gz VAHKKMGVDUIKRG-UHFFFAOYSA-N 2 2 293.411 0.266 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091015 613598675 /nfs/dbraw/zinc/59/86/75/613598675.db2.gz RWHPIDZLQFSBHE-KBPBESRZSA-N 2 2 274.368 0.876 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091015 613598677 /nfs/dbraw/zinc/59/86/77/613598677.db2.gz RWHPIDZLQFSBHE-KBPBESRZSA-N 2 2 274.368 0.876 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947863856 613599035 /nfs/dbraw/zinc/59/90/35/613599035.db2.gz YNGFAOKZEYIEEX-STQMWFEESA-N 2 2 274.368 0.945 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947863856 613599036 /nfs/dbraw/zinc/59/90/36/613599036.db2.gz YNGFAOKZEYIEEX-STQMWFEESA-N 2 2 274.368 0.945 20 30 CCEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039584 613612465 /nfs/dbraw/zinc/61/24/65/613612465.db2.gz JUHKTXPVGDGPMZ-CYBMUJFWSA-N 2 2 262.357 0.992 20 30 CCEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039584 613612466 /nfs/dbraw/zinc/61/24/66/613612466.db2.gz JUHKTXPVGDGPMZ-CYBMUJFWSA-N 2 2 262.357 0.992 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962293165 613635645 /nfs/dbraw/zinc/63/56/45/613635645.db2.gz NPRMMZZNVYTFAO-NHAGDIPZSA-N 2 2 272.352 0.032 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962293165 613635649 /nfs/dbraw/zinc/63/56/49/613635649.db2.gz NPRMMZZNVYTFAO-NHAGDIPZSA-N 2 2 272.352 0.032 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000957665300 613712405 /nfs/dbraw/zinc/71/24/05/613712405.db2.gz QXPWTNSDFBPKEE-CQSZACIVSA-N 2 2 281.400 0.285 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972430144 613723810 /nfs/dbraw/zinc/72/38/10/613723810.db2.gz AOWGBNSQQQRCCM-ZBFHGGJFSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972430144 613723814 /nfs/dbraw/zinc/72/38/14/613723814.db2.gz AOWGBNSQQQRCCM-ZBFHGGJFSA-N 2 2 295.427 0.816 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000913520929 615860222 /nfs/dbraw/zinc/86/02/22/615860222.db2.gz DPAHSSGCKGZSCK-OAHLLOKOSA-N 2 2 293.411 0.311 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000913520929 615860223 /nfs/dbraw/zinc/86/02/23/615860223.db2.gz DPAHSSGCKGZSCK-OAHLLOKOSA-N 2 2 293.411 0.311 20 30 CCEDLP C[NH+]1CCN(N=C2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000872325481 616246184 /nfs/dbraw/zinc/24/61/84/616246184.db2.gz SSYTWXMPUPQTLG-CYBMUJFWSA-N 2 2 268.430 0.801 20 30 CCEDLP C[NH+]1CCN(N=C2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000872325481 616246185 /nfs/dbraw/zinc/24/61/85/616246185.db2.gz SSYTWXMPUPQTLG-CYBMUJFWSA-N 2 2 268.430 0.801 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]21 ZINC001026281869 625387157 /nfs/dbraw/zinc/38/71/57/625387157.db2.gz JYALNJPUSQALTE-NWANDNLSSA-N 2 2 286.379 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]21 ZINC001026281869 625387161 /nfs/dbraw/zinc/38/71/61/625387161.db2.gz JYALNJPUSQALTE-NWANDNLSSA-N 2 2 286.379 0.802 20 30 CCEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]12 ZINC001026386197 625422596 /nfs/dbraw/zinc/42/25/96/625422596.db2.gz LJGLSFWVESGLLA-JHJVBQTASA-N 2 2 274.368 0.965 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024807272 623450309 /nfs/dbraw/zinc/45/03/09/623450309.db2.gz AZYWDEPSAYSXIC-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024807272 623450315 /nfs/dbraw/zinc/45/03/15/623450315.db2.gz AZYWDEPSAYSXIC-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC=C)C1 ZINC001007519051 623660201 /nfs/dbraw/zinc/66/02/01/623660201.db2.gz HYHUEIIEKCTRJB-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC=C)C1 ZINC001007519051 623660204 /nfs/dbraw/zinc/66/02/04/623660204.db2.gz HYHUEIIEKCTRJB-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC=C)C1 ZINC001007519051 623660219 /nfs/dbraw/zinc/66/02/19/623660219.db2.gz HYHUEIIEKCTRJB-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC=C)C1 ZINC001007519051 623660237 /nfs/dbraw/zinc/66/02/37/623660237.db2.gz HYHUEIIEKCTRJB-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP COC[C@H](C)NC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000170905315 623813555 /nfs/dbraw/zinc/81/35/55/623813555.db2.gz KAAOMZVNZMSOGR-NSHDSACASA-N 2 2 265.361 0.823 20 30 CCEDLP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001009592295 625860632 /nfs/dbraw/zinc/86/06/32/625860632.db2.gz HFBXJAIXGRPTLZ-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001009592295 625860638 /nfs/dbraw/zinc/86/06/38/625860638.db2.gz HFBXJAIXGRPTLZ-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009592295 625860643 /nfs/dbraw/zinc/86/06/43/625860643.db2.gz HFBXJAIXGRPTLZ-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009592295 625860646 /nfs/dbraw/zinc/86/06/46/625860646.db2.gz HFBXJAIXGRPTLZ-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP CCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000303782196 631839478 /nfs/dbraw/zinc/83/94/78/631839478.db2.gz MWAILFSIESEJCO-GFCCVEGCSA-N 2 2 256.394 0.658 20 30 CCEDLP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001006910694 650056404 /nfs/dbraw/zinc/05/64/04/650056404.db2.gz BRFIGNQQJWNTNS-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001006910694 650056410 /nfs/dbraw/zinc/05/64/10/650056410.db2.gz BRFIGNQQJWNTNS-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006910694 650056412 /nfs/dbraw/zinc/05/64/12/650056412.db2.gz BRFIGNQQJWNTNS-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001006910694 650056415 /nfs/dbraw/zinc/05/64/15/650056415.db2.gz BRFIGNQQJWNTNS-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001007518815 650080923 /nfs/dbraw/zinc/08/09/23/650080923.db2.gz FFAYDDKALTYBJJ-CVEARBPZSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001007518815 650080924 /nfs/dbraw/zinc/08/09/24/650080924.db2.gz FFAYDDKALTYBJJ-CVEARBPZSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001007518815 650080926 /nfs/dbraw/zinc/08/09/26/650080926.db2.gz FFAYDDKALTYBJJ-CVEARBPZSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001007518815 650080927 /nfs/dbraw/zinc/08/09/27/650080927.db2.gz FFAYDDKALTYBJJ-CVEARBPZSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CC[N@@H+](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000985769177 632638584 /nfs/dbraw/zinc/63/85/84/632638584.db2.gz GHTHEKWOKNBVQY-UHFFFAOYSA-N 2 2 274.368 0.817 20 30 CCEDLP C#CC[N@H+](C)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000985769177 632638588 /nfs/dbraw/zinc/63/85/88/632638588.db2.gz GHTHEKWOKNBVQY-UHFFFAOYSA-N 2 2 274.368 0.817 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262730757 632712727 /nfs/dbraw/zinc/71/27/27/632712727.db2.gz BLHNTNHBBGQFHB-CYBMUJFWSA-N 3 2 290.415 0.593 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262730757 632712736 /nfs/dbraw/zinc/71/27/36/632712736.db2.gz BLHNTNHBBGQFHB-CYBMUJFWSA-N 3 2 290.415 0.593 20 30 CCEDLP C[NH+]=C(NCCn1ccnc1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262730757 632712743 /nfs/dbraw/zinc/71/27/43/632712743.db2.gz BLHNTNHBBGQFHB-CYBMUJFWSA-N 2 2 290.415 0.593 20 30 CCEDLP C[NH+]=C(NCCn1ccnc1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262730757 632712748 /nfs/dbraw/zinc/71/27/48/632712748.db2.gz BLHNTNHBBGQFHB-CYBMUJFWSA-N 2 2 290.415 0.593 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC000986602380 632778003 /nfs/dbraw/zinc/77/80/03/632778003.db2.gz PBPLQHHYXMHYBP-STQMWFEESA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000989257047 633179548 /nfs/dbraw/zinc/17/95/48/633179548.db2.gz BEDULXAZJCEZEA-STQMWFEESA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000989673725 633344018 /nfs/dbraw/zinc/34/40/18/633344018.db2.gz UYFPWKWUDOPNRW-HNNXBMFYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000989673725 633344022 /nfs/dbraw/zinc/34/40/22/633344022.db2.gz UYFPWKWUDOPNRW-HNNXBMFYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994299311 637919026 /nfs/dbraw/zinc/91/90/26/637919026.db2.gz VRJVZSRXAVXPFV-OLZOCXBDSA-N 2 2 274.368 0.863 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994299311 637919032 /nfs/dbraw/zinc/91/90/32/637919032.db2.gz VRJVZSRXAVXPFV-OLZOCXBDSA-N 2 2 274.368 0.863 20 30 CCEDLP C=CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996711173 638829786 /nfs/dbraw/zinc/82/97/86/638829786.db2.gz BTSPHOYGOZZWGU-LBPRGKRZSA-N 2 2 262.357 0.896 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000999536346 638984732 /nfs/dbraw/zinc/98/47/32/638984732.db2.gz OBWPXBKANYICEU-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001328 650513701 /nfs/dbraw/zinc/51/37/01/650513701.db2.gz VKVNWDWJEUGPQN-QWHCGFSZSA-N 2 2 274.368 0.822 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001015001328 650513704 /nfs/dbraw/zinc/51/37/04/650513704.db2.gz VKVNWDWJEUGPQN-QWHCGFSZSA-N 2 2 274.368 0.822 20 30 CCEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015607293 650590136 /nfs/dbraw/zinc/59/01/36/650590136.db2.gz JRANJLSYJSNXSX-KGLIPLIRSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015607293 650590138 /nfs/dbraw/zinc/59/01/38/650590138.db2.gz JRANJLSYJSNXSX-KGLIPLIRSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607293 650590140 /nfs/dbraw/zinc/59/01/40/650590140.db2.gz JRANJLSYJSNXSX-KGLIPLIRSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607293 650590141 /nfs/dbraw/zinc/59/01/41/650590141.db2.gz JRANJLSYJSNXSX-KGLIPLIRSA-N 2 2 281.400 0.472 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001015723252 650616735 /nfs/dbraw/zinc/61/67/35/650616735.db2.gz OSMCFRKTUBBJSK-BFHYXJOUSA-N 2 2 286.379 0.737 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001015723252 650616736 /nfs/dbraw/zinc/61/67/36/650616736.db2.gz OSMCFRKTUBBJSK-BFHYXJOUSA-N 2 2 286.379 0.737 20 30 CCEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016898962 650770258 /nfs/dbraw/zinc/77/02/58/650770258.db2.gz RGYQAVNGZDGFHK-LBPRGKRZSA-N 2 2 272.352 0.556 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001017882588 650831587 /nfs/dbraw/zinc/83/15/87/650831587.db2.gz VUBQEMVNYSKHDA-GASCZTMLSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001017882588 650831589 /nfs/dbraw/zinc/83/15/89/650831589.db2.gz VUBQEMVNYSKHDA-GASCZTMLSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001019139762 650941353 /nfs/dbraw/zinc/94/13/53/650941353.db2.gz TUEDJRLWILCEHG-LBPRGKRZSA-N 2 2 268.320 0.772 20 30 CCEDLP C=CC[NH+]1CCN(CCCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001266275971 790382091 /nfs/dbraw/zinc/38/20/91/790382091.db2.gz SYRNIHQQWDXDGC-HNNXBMFYSA-N 2 2 296.459 0.637 20 30 CCEDLP C#CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232365286 805927904 /nfs/dbraw/zinc/92/79/04/805927904.db2.gz FPAHLJRDHCVVDK-UHFFFAOYSA-N 2 2 258.369 0.898 20 30 CCEDLP C#CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232365286 805927909 /nfs/dbraw/zinc/92/79/09/805927909.db2.gz FPAHLJRDHCVVDK-UHFFFAOYSA-N 2 2 258.369 0.898 20 30 CCEDLP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001266879559 791317694 /nfs/dbraw/zinc/31/76/94/791317694.db2.gz BMJNMNRBFFQWQH-CQSZACIVSA-N 2 2 288.395 0.957 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167509327 791493518 /nfs/dbraw/zinc/49/35/18/791493518.db2.gz OEFZJXAIHRDZSC-UHFFFAOYSA-N 2 2 295.427 0.913 20 30 CCEDLP CC#CC[NH2+][C@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267141062 791584720 /nfs/dbraw/zinc/58/47/20/791584720.db2.gz ZPLPJFCBIQEOEK-CYBMUJFWSA-N 2 2 262.357 0.781 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235352498 806411700 /nfs/dbraw/zinc/41/17/00/806411700.db2.gz BNMRALWMVGLANJ-ZDUSSCGKSA-N 2 2 263.385 0.637 20 30 CCEDLP C=CC[NH2+]CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235351346 806412735 /nfs/dbraw/zinc/41/27/35/806412735.db2.gz XHOFDGPRRMEWKO-HOCLYGCPSA-N 3 2 295.427 0.627 20 30 CCEDLP C=CC[NH2+]CC[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235351346 806412739 /nfs/dbraw/zinc/41/27/39/806412739.db2.gz XHOFDGPRRMEWKO-HOCLYGCPSA-N 3 2 295.427 0.627 20 30 CCEDLP N#Cc1ccnc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235997004 806525874 /nfs/dbraw/zinc/52/58/74/806525874.db2.gz DBVTZNQDKKXKIW-ONXXMXGDSA-N 2 2 258.325 0.359 20 30 CCEDLP N#Cc1ccnc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235997004 806525878 /nfs/dbraw/zinc/52/58/78/806525878.db2.gz DBVTZNQDKKXKIW-ONXXMXGDSA-N 2 2 258.325 0.359 20 30 CCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983419 800310435 /nfs/dbraw/zinc/31/04/35/800310435.db2.gz QUMCRNWKAQPZOC-AWEZNQCLSA-N 2 2 290.367 0.032 20 30 CCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149983419 800310445 /nfs/dbraw/zinc/31/04/45/800310445.db2.gz QUMCRNWKAQPZOC-AWEZNQCLSA-N 2 2 290.367 0.032 20 30 CCEDLP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469396 800982700 /nfs/dbraw/zinc/98/27/00/800982700.db2.gz HQDWLSMTNCXMHA-CYBMUJFWSA-N 2 2 292.383 0.429 20 30 CCEDLP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469396 800982703 /nfs/dbraw/zinc/98/27/03/800982703.db2.gz HQDWLSMTNCXMHA-CYBMUJFWSA-N 2 2 292.383 0.429 20 30 CCEDLP N#CCc1cc[nH+]c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001155483457 800987205 /nfs/dbraw/zinc/98/72/05/800987205.db2.gz MMEWWJHDFVYWHV-JHJVBQTASA-N 2 2 258.325 0.794 20 30 CCEDLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(/C=N/O)c1 ZINC001158206148 801594742 /nfs/dbraw/zinc/59/47/42/801594742.db2.gz AGJSYLKZYGWYKS-FWJPBWIZSA-N 2 2 275.312 0.246 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326101 801930203 /nfs/dbraw/zinc/93/02/03/801930203.db2.gz JJWIBVCHAVDHKL-VXGBXAGGSA-N 2 2 260.341 0.632 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326101 801930209 /nfs/dbraw/zinc/93/02/09/801930209.db2.gz JJWIBVCHAVDHKL-VXGBXAGGSA-N 2 2 260.341 0.632 20 30 CCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@H](C#N)C1 ZINC001160640447 801986026 /nfs/dbraw/zinc/98/60/26/801986026.db2.gz BXVHMGWMOPIDIP-PWSUYJOCSA-N 2 2 261.329 0.052 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323597 802127287 /nfs/dbraw/zinc/12/72/87/802127287.db2.gz OQLBBMLCLHWGEO-ZDUSSCGKSA-N 2 2 288.395 0.942 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323597 802127292 /nfs/dbraw/zinc/12/72/92/802127292.db2.gz OQLBBMLCLHWGEO-ZDUSSCGKSA-N 2 2 288.395 0.942 20 30 CCEDLP N#Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)c(C#N)c1 ZINC001161866855 802234539 /nfs/dbraw/zinc/23/45/39/802234539.db2.gz CUKWYDRHHHCGJK-UHFFFAOYSA-N 2 2 270.340 0.660 20 30 CCEDLP N#Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)c(F)c1 ZINC001161870496 802235725 /nfs/dbraw/zinc/23/57/25/802235725.db2.gz LAZFDASPBWJXBS-UHFFFAOYSA-N 2 2 263.320 0.927 20 30 CCEDLP C[NH+](C)C1(CNc2nccnc2CC#N)CC[NH+](C)CC1 ZINC001164206743 802687483 /nfs/dbraw/zinc/68/74/83/802687483.db2.gz ARZWOYRIUDGWAS-UHFFFAOYSA-N 2 2 288.399 0.981 20 30 CCEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836919 803632228 /nfs/dbraw/zinc/63/22/28/803632228.db2.gz OPCORBZMFRXATM-ZDUSSCGKSA-N 2 2 290.367 0.183 20 30 CCEDLP CC[N@H+](CC[NH3+])C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402167786 803815670 /nfs/dbraw/zinc/81/56/70/803815670.db2.gz AHDURKQDRCBNMI-CYBMUJFWSA-N 2 2 263.341 0.579 20 30 CCEDLP CC[N@@H+](CC[NH3+])C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402167786 803815679 /nfs/dbraw/zinc/81/56/79/803815679.db2.gz AHDURKQDRCBNMI-CYBMUJFWSA-N 2 2 263.341 0.579 20 30 CCEDLP N#Cc1ccnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218504287 803971399 /nfs/dbraw/zinc/97/13/99/803971399.db2.gz NYFPKXPHDGFYSH-SNVBAGLBSA-N 2 2 256.269 0.185 20 30 CCEDLP C#Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1 ZINC001220382541 804589603 /nfs/dbraw/zinc/58/96/03/804589603.db2.gz ZWFLYBVXLTZHQR-GOEBONIOSA-N 2 2 269.348 0.236 20 30 CCEDLP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220596748 804635062 /nfs/dbraw/zinc/63/50/62/804635062.db2.gz HGOQFHPSPXICPP-ANQUJSFKSA-N 2 2 296.374 0.884 20 30 CCEDLP CC#CC[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001277334834 805482545 /nfs/dbraw/zinc/48/25/45/805482545.db2.gz BNMHXZQCGUBNGK-ZDUSSCGKSA-N 2 2 276.384 0.860 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001278390326 807060422 /nfs/dbraw/zinc/06/04/22/807060422.db2.gz GRVPBSQHOSKWHZ-KGLIPLIRSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC001248681876 807519118 /nfs/dbraw/zinc/51/91/18/807519118.db2.gz ORAPVLOTWXCJNK-GJZGRUSLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CC)C[C@@H]2C)C1 ZINC001248681876 807519120 /nfs/dbraw/zinc/51/91/20/807519120.db2.gz ORAPVLOTWXCJNK-GJZGRUSLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC)C[C@@H]2C)C1 ZINC001248681876 807519122 /nfs/dbraw/zinc/51/91/22/807519122.db2.gz ORAPVLOTWXCJNK-GJZGRUSLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC)C[C@@H]2C)C1 ZINC001248681876 807519125 /nfs/dbraw/zinc/51/91/25/807519125.db2.gz ORAPVLOTWXCJNK-GJZGRUSLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CCOC[C@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001251857791 807725315 /nfs/dbraw/zinc/72/53/15/807725315.db2.gz KFHXVQMBTWCQQR-CYBMUJFWSA-N 2 2 251.330 0.216 20 30 CCEDLP C#CCOC[C@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001251857791 807725321 /nfs/dbraw/zinc/72/53/21/807725321.db2.gz KFHXVQMBTWCQQR-CYBMUJFWSA-N 2 2 251.330 0.216 20 30 CCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001251857723 807725707 /nfs/dbraw/zinc/72/57/07/807725707.db2.gz JCJVPPPOVYRZOU-AWEZNQCLSA-N 2 2 254.374 0.413 20 30 CCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001251857723 807725710 /nfs/dbraw/zinc/72/57/10/807725710.db2.gz JCJVPPPOVYRZOU-AWEZNQCLSA-N 2 2 254.374 0.413 20 30 CCEDLP C=CCOC[C@@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001252498147 807896072 /nfs/dbraw/zinc/89/60/72/807896072.db2.gz GRQDDQVDYHQTGC-LBPRGKRZSA-N 2 2 252.314 0.614 20 30 CCEDLP C=CCC[C@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001252598572 807917751 /nfs/dbraw/zinc/91/77/51/807917751.db2.gz PCBXOXCEKQWHFF-INIZCTEOSA-N 2 2 297.443 0.263 20 30 CCEDLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(C#N)nc1 ZINC001253211865 808033999 /nfs/dbraw/zinc/03/39/99/808033999.db2.gz BMYQLXIESFNGPY-CQSZACIVSA-N 2 2 262.357 0.746 20 30 CCEDLP C=C[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001253577438 808085963 /nfs/dbraw/zinc/08/59/63/808085963.db2.gz NGKVOHWCPNSTDQ-IJEWVQPXSA-N 2 2 273.380 0.992 20 30 CCEDLP C=C[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001253577438 808085968 /nfs/dbraw/zinc/08/59/68/808085968.db2.gz NGKVOHWCPNSTDQ-IJEWVQPXSA-N 2 2 273.380 0.992 20 30 CCEDLP C=C[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001253577438 808085974 /nfs/dbraw/zinc/08/59/74/808085974.db2.gz NGKVOHWCPNSTDQ-IJEWVQPXSA-N 2 2 273.380 0.992 20 30 CCEDLP C=C[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001253577438 808085979 /nfs/dbraw/zinc/08/59/79/808085979.db2.gz NGKVOHWCPNSTDQ-IJEWVQPXSA-N 2 2 273.380 0.992 20 30 CCEDLP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001278848323 808328908 /nfs/dbraw/zinc/32/89/08/808328908.db2.gz FYLKHZMKKMLMRN-UONOGXRCSA-N 2 2 295.427 0.598 20 30 CCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278922970 808486087 /nfs/dbraw/zinc/48/60/87/808486087.db2.gz PVPRVHYRSUJXBH-ZDUSSCGKSA-N 2 2 281.400 0.067 20 30 CCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001278922970 808486095 /nfs/dbraw/zinc/48/60/95/808486095.db2.gz PVPRVHYRSUJXBH-ZDUSSCGKSA-N 2 2 281.400 0.067 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001076260358 815269091 /nfs/dbraw/zinc/26/90/91/815269091.db2.gz GAHPELXXGOXAKK-DSJMHWKBSA-N 2 2 298.390 0.690 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001076260358 815269096 /nfs/dbraw/zinc/26/90/96/815269096.db2.gz GAHPELXXGOXAKK-DSJMHWKBSA-N 2 2 298.390 0.690 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001263115014 809452100 /nfs/dbraw/zinc/45/21/00/809452100.db2.gz GCSVCKFMAIJTBV-CYBMUJFWSA-N 2 2 274.368 0.424 20 30 CCEDLP C=CC[N@H+](CC)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001265139191 809714942 /nfs/dbraw/zinc/71/49/42/809714942.db2.gz HBVLTCBRMXHMDT-UHFFFAOYSA-N 2 2 250.346 0.966 20 30 CCEDLP C=CC[N@@H+](CC)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001265139191 809714946 /nfs/dbraw/zinc/71/49/46/809714946.db2.gz HBVLTCBRMXHMDT-UHFFFAOYSA-N 2 2 250.346 0.966 20 30 CCEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001265327177 809758240 /nfs/dbraw/zinc/75/82/40/809758240.db2.gz BNCSPLFAAAAGPX-AWEZNQCLSA-N 2 2 286.379 0.946 20 30 CCEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001265327177 809758243 /nfs/dbraw/zinc/75/82/43/809758243.db2.gz BNCSPLFAAAAGPX-AWEZNQCLSA-N 2 2 286.379 0.946 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265791848 809854677 /nfs/dbraw/zinc/85/46/77/809854677.db2.gz BUDVFPFWDTYFJP-STQMWFEESA-N 2 2 274.368 0.563 20 30 CCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077311231 815478332 /nfs/dbraw/zinc/47/83/32/815478332.db2.gz YNAGLCRHUMJYSJ-ZIAGYGMSSA-N 2 2 286.335 0.295 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077311231 815478335 /nfs/dbraw/zinc/47/83/35/815478335.db2.gz YNAGLCRHUMJYSJ-ZIAGYGMSSA-N 2 2 286.335 0.295 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001268216599 812369775 /nfs/dbraw/zinc/36/97/75/812369775.db2.gz LFRLMABCONCNGA-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001268216599 812369785 /nfs/dbraw/zinc/36/97/85/812369785.db2.gz LFRLMABCONCNGA-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP CC#CC[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001268614807 812948594 /nfs/dbraw/zinc/94/85/94/812948594.db2.gz YWQVMTXSTDTAPE-WAYWQWQTSA-N 2 2 260.341 0.248 20 30 CCEDLP C=CCC[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001268697723 813016481 /nfs/dbraw/zinc/01/64/81/813016481.db2.gz GCOSUGUAWYTOJP-LBPRGKRZSA-N 2 2 250.346 0.944 20 30 CCEDLP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268735085 813050818 /nfs/dbraw/zinc/05/08/18/813050818.db2.gz DQDPVBWTIDAHHY-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268735085 813050827 /nfs/dbraw/zinc/05/08/27/813050827.db2.gz DQDPVBWTIDAHHY-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001268755277 813066432 /nfs/dbraw/zinc/06/64/32/813066432.db2.gz VENWDMYFKLRFNT-ZDUSSCGKSA-N 2 2 276.384 0.813 20 30 CCEDLP C#CCC[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001268755277 813066438 /nfs/dbraw/zinc/06/64/38/813066438.db2.gz VENWDMYFKLRFNT-ZDUSSCGKSA-N 2 2 276.384 0.813 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001269264344 813295915 /nfs/dbraw/zinc/29/59/15/813295915.db2.gz WUAPMGQUTMXSAE-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001269264344 813295918 /nfs/dbraw/zinc/29/59/18/813295918.db2.gz WUAPMGQUTMXSAE-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001270436634 813763631 /nfs/dbraw/zinc/76/36/31/813763631.db2.gz PTZOHFOMWBUWOR-KBPBESRZSA-N 2 2 288.395 0.811 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001029342280 814077810 /nfs/dbraw/zinc/07/78/10/814077810.db2.gz HEUNLTCAFBZMNC-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001029342280 814077815 /nfs/dbraw/zinc/07/78/15/814077815.db2.gz HEUNLTCAFBZMNC-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC ZINC001029342280 814077819 /nfs/dbraw/zinc/07/78/19/814077819.db2.gz HEUNLTCAFBZMNC-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC ZINC001029342280 814077825 /nfs/dbraw/zinc/07/78/25/814077825.db2.gz HEUNLTCAFBZMNC-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001271111093 814156740 /nfs/dbraw/zinc/15/67/40/814156740.db2.gz ANPHUWZIGQWYMF-MGPQQGTHSA-N 2 2 288.395 0.983 20 30 CCEDLP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271549358 814473955 /nfs/dbraw/zinc/47/39/55/814473955.db2.gz KBVZXAKGSZSGCJ-YPMHNXCESA-N 2 2 274.368 0.720 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CC(C)C2)C1 ZINC001030464474 816049599 /nfs/dbraw/zinc/04/95/99/816049599.db2.gz VTYYFJXBPDYWGN-XUJLQICISA-N 2 2 289.423 0.931 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CC(C)C2)C1 ZINC001030464474 816049607 /nfs/dbraw/zinc/04/96/07/816049607.db2.gz VTYYFJXBPDYWGN-XUJLQICISA-N 2 2 289.423 0.931 20 30 CCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212199299 816636166 /nfs/dbraw/zinc/63/61/66/816636166.db2.gz TZWLAGNSTXGATN-CHWSQXEVSA-N 2 2 292.383 0.734 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001031434722 817053161 /nfs/dbraw/zinc/05/31/61/817053161.db2.gz BVNNNVZWHPEBIU-UHFFFAOYSA-N 2 2 273.380 0.155 20 30 CCEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783121 817364447 /nfs/dbraw/zinc/36/44/47/817364447.db2.gz AWHLMDOHRBJWFA-CQSZACIVSA-N 2 2 286.379 0.517 20 30 CCEDLP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001031783536 817365236 /nfs/dbraw/zinc/36/52/36/817365236.db2.gz YDANKSBFKNJLQD-CQSZACIVSA-N 2 2 286.379 0.517 20 30 CCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031978120 817513734 /nfs/dbraw/zinc/51/37/34/817513734.db2.gz OVVHQQPLEPSIRB-MFKMUULPSA-N 2 2 285.819 0.985 20 30 CCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031978120 817513739 /nfs/dbraw/zinc/51/37/39/817513739.db2.gz OVVHQQPLEPSIRB-MFKMUULPSA-N 2 2 285.819 0.985 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107077856 817717170 /nfs/dbraw/zinc/71/71/70/817717170.db2.gz QCEBKDDAUSYTFL-CHWSQXEVSA-N 2 2 260.341 0.200 20 30 CCEDLP C=CC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772455 817853350 /nfs/dbraw/zinc/85/33/50/817853350.db2.gz IVFTXBFPKZCGRP-ZDUSSCGKSA-N 2 2 277.372 0.682 20 30 CCEDLP C=CC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772455 817853362 /nfs/dbraw/zinc/85/33/62/817853362.db2.gz IVFTXBFPKZCGRP-ZDUSSCGKSA-N 2 2 277.372 0.682 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078760891 818051019 /nfs/dbraw/zinc/05/10/19/818051019.db2.gz CDZQNRZLCVDXLW-NEPJUHHUSA-N 2 2 272.352 0.602 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078830352 818056457 /nfs/dbraw/zinc/05/64/57/818056457.db2.gz XSUOOWATJLYCMD-STQMWFEESA-N 2 2 272.352 0.533 20 30 CCEDLP C#CCC[NH2+]CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001272945007 818088780 /nfs/dbraw/zinc/08/87/80/818088780.db2.gz UEQRWXMNHMHEIM-CYBMUJFWSA-N 2 2 262.357 0.781 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001044791445 818696308 /nfs/dbraw/zinc/69/63/08/818696308.db2.gz GJXKVGAFQLBRBV-RYUDHWBXSA-N 2 2 260.341 0.555 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001035614770 819592082 /nfs/dbraw/zinc/59/20/82/819592082.db2.gz RYSFBGULUBGYAW-HUUCEWRRSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001035614770 819592087 /nfs/dbraw/zinc/59/20/87/819592087.db2.gz RYSFBGULUBGYAW-HUUCEWRRSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035614770 819592090 /nfs/dbraw/zinc/59/20/90/819592090.db2.gz RYSFBGULUBGYAW-HUUCEWRRSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035614770 819592096 /nfs/dbraw/zinc/59/20/96/819592096.db2.gz RYSFBGULUBGYAW-HUUCEWRRSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001036254810 819716362 /nfs/dbraw/zinc/71/63/62/819716362.db2.gz VWVFIURJBZENGP-GXTWGEPZSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001036275989 819722789 /nfs/dbraw/zinc/72/27/89/819722789.db2.gz QGEIDNZHJSJJBF-AAEUAGOBSA-N 2 2 274.368 0.720 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949171 820870430 /nfs/dbraw/zinc/87/04/30/820870430.db2.gz BFKFBPGGLZOVBC-ZIAGYGMSSA-N 2 2 290.367 0.030 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001081949171 820870440 /nfs/dbraw/zinc/87/04/40/820870440.db2.gz BFKFBPGGLZOVBC-ZIAGYGMSSA-N 2 2 290.367 0.030 20 30 CCEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084230944 821246930 /nfs/dbraw/zinc/24/69/30/821246930.db2.gz MNPFKJXXJAYDQM-HZSPNIEDSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084230944 821246939 /nfs/dbraw/zinc/24/69/39/821246939.db2.gz MNPFKJXXJAYDQM-HZSPNIEDSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230944 821246944 /nfs/dbraw/zinc/24/69/44/821246944.db2.gz MNPFKJXXJAYDQM-HZSPNIEDSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084230944 821246951 /nfs/dbraw/zinc/24/69/51/821246951.db2.gz MNPFKJXXJAYDQM-HZSPNIEDSA-N 2 2 261.369 0.247 20 30 CCEDLP C=CCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130407483 837787033 /nfs/dbraw/zinc/78/70/33/837787033.db2.gz RCZBXLKGTGGTHE-GFCCVEGCSA-N 2 2 262.357 0.727 20 30 CCEDLP C=CCn1ccc2c1nc[nH+]c2NCCN(C)CC[NH3+] ZINC001170497402 837808570 /nfs/dbraw/zinc/80/85/70/837808570.db2.gz KJUTZATTWVZSIC-UHFFFAOYSA-N 2 2 274.372 0.920 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001183772269 844084976 /nfs/dbraw/zinc/08/49/76/844084976.db2.gz DXOPAAKLJUNJQV-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[NH+]1CCN(C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001168949380 836070133 /nfs/dbraw/zinc/07/01/33/836070133.db2.gz KQLUZCRFLHNZRX-INIZCTEOSA-N 2 2 279.428 0.596 20 30 CCEDLP C=CCc1c(Cl)ncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066736 836122870 /nfs/dbraw/zinc/12/28/70/836122870.db2.gz HLBPTSXOMCAJJM-SECBINFHSA-N 2 2 293.758 0.906 20 30 CCEDLP N#Cc1cc(C#N)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169075657 836128494 /nfs/dbraw/zinc/12/84/94/836128494.db2.gz ULUNIPZFDFNSKO-GFCCVEGCSA-N 2 2 267.292 0.478 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108786343 836523426 /nfs/dbraw/zinc/52/34/26/836523426.db2.gz XWSWXXJCEFOYAW-IHRRRGAJSA-N 2 2 286.379 0.945 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131273071 838027198 /nfs/dbraw/zinc/02/71/98/838027198.db2.gz DOSLFFAGFHLSME-UHFFFAOYSA-N 2 2 256.309 0.677 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133371672 838613757 /nfs/dbraw/zinc/61/37/57/838613757.db2.gz VMPWPHKYBOPARF-ZIAGYGMSSA-N 2 2 274.368 0.591 20 30 CCEDLP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135555479 839294621 /nfs/dbraw/zinc/29/46/21/839294621.db2.gz APHQTNAPBQWWFL-RYUDHWBXSA-N 2 2 262.357 0.848 20 30 CCEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799905 839421101 /nfs/dbraw/zinc/42/11/01/839421101.db2.gz ZDYBOZYQCQFZIW-RYUDHWBXSA-N 2 2 262.357 0.848 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601931 839667752 /nfs/dbraw/zinc/66/77/52/839667752.db2.gz WDTMXVCVJQNSMT-STQMWFEESA-N 2 2 278.356 0.080 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601931 839667754 /nfs/dbraw/zinc/66/77/54/839667754.db2.gz WDTMXVCVJQNSMT-STQMWFEESA-N 2 2 278.356 0.080 20 30 CCEDLP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772201 840362436 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C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217600 847869314 /nfs/dbraw/zinc/86/93/14/847869314.db2.gz QYLPOGDTRUMVRD-CQSZACIVSA-N 2 2 292.383 0.666 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001274817778 848570965 /nfs/dbraw/zinc/57/09/65/848570965.db2.gz HCCCTOHTLQGENC-VXGBXAGGSA-N 2 2 260.341 0.173 20 30 CCEDLP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759922 850496959 /nfs/dbraw/zinc/49/69/59/850496959.db2.gz YQFTTXPPNHDGPU-INIZCTEOSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759922 850496979 /nfs/dbraw/zinc/49/69/79/850496979.db2.gz YQFTTXPPNHDGPU-INIZCTEOSA-N 2 2 286.379 0.900 20 30 CCEDLP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759375 850497877 /nfs/dbraw/zinc/49/78/77/850497877.db2.gz URQZCVASHLOCDG-INIZCTEOSA-N 2 2 286.379 0.900 20 30 CCEDLP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759375 850497882 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C#CC[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001481101540 892160826 /nfs/dbraw/zinc/16/08/26/892160826.db2.gz AIPSYBBACXEEDL-CYBMUJFWSA-N 2 2 260.341 0.345 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001481101540 892160838 /nfs/dbraw/zinc/16/08/38/892160838.db2.gz AIPSYBBACXEEDL-CYBMUJFWSA-N 2 2 260.341 0.345 20 30 CCEDLP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001496387982 892601506 /nfs/dbraw/zinc/60/15/06/892601506.db2.gz FUAJDRFNVTUGLZ-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001496387982 892601511 /nfs/dbraw/zinc/60/15/11/892601511.db2.gz FUAJDRFNVTUGLZ-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH+]1CCC(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001482051330 893333036 /nfs/dbraw/zinc/33/30/36/893333036.db2.gz XQGAOKNIMKYRLD-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP CC#CC[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001482112912 893405203 /nfs/dbraw/zinc/40/52/03/893405203.db2.gz DFEWDLMRJZZXPM-CYBMUJFWSA-N 2 2 289.379 0.998 20 30 CCEDLP C=C(C)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001482174858 893460401 /nfs/dbraw/zinc/46/04/01/893460401.db2.gz JQGVBCZGHMTYHK-LBPRGKRZSA-N 2 2 250.346 0.801 20 30 CCEDLP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001482482667 894117299 /nfs/dbraw/zinc/11/72/99/894117299.db2.gz NGODGZQNZVALBG-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC)C[C@@H]1O ZINC001083535641 895004096 /nfs/dbraw/zinc/00/40/96/895004096.db2.gz CPYFCGCQVMEIAZ-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC)C[C@@H]1O ZINC001083535641 895004121 /nfs/dbraw/zinc/00/41/21/895004121.db2.gz CPYFCGCQVMEIAZ-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)C[C@@H]1O ZINC001083535641 895004135 /nfs/dbraw/zinc/00/41/35/895004135.db2.gz CPYFCGCQVMEIAZ-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)C[C@@H]1O ZINC001083535641 895004152 /nfs/dbraw/zinc/00/41/52/895004152.db2.gz CPYFCGCQVMEIAZ-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483241513 895371432 /nfs/dbraw/zinc/37/14/32/895371432.db2.gz AVDWNLBVGNBUMW-RYUDHWBXSA-N 2 2 262.357 0.726 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001483664076 895818524 /nfs/dbraw/zinc/81/85/24/895818524.db2.gz LPXZOCFVTYIYNR-CYBMUJFWSA-N 2 2 260.341 0.405 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001483664076 895818535 /nfs/dbraw/zinc/81/85/35/895818535.db2.gz LPXZOCFVTYIYNR-CYBMUJFWSA-N 2 2 260.341 0.405 20 30 CCEDLP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484114421 896197494 /nfs/dbraw/zinc/19/74/94/896197494.db2.gz MVBYSCULLOYLEZ-HNNXBMFYSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001484121996 896202818 /nfs/dbraw/zinc/20/28/18/896202818.db2.gz NPCHGAGBOMYOAN-MRXNPFEDSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001032412071 897507809 /nfs/dbraw/zinc/50/78/09/897507809.db2.gz HCZLIJAQCDYJSE-ZQDZILKHSA-N 2 2 275.396 0.635 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001032412071 897507815 /nfs/dbraw/zinc/50/78/15/897507815.db2.gz HCZLIJAQCDYJSE-ZQDZILKHSA-N 2 2 275.396 0.635 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001032412071 897507880 /nfs/dbraw/zinc/50/78/80/897507880.db2.gz HCZLIJAQCDYJSE-ZQDZILKHSA-N 2 2 275.396 0.635 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001032412071 897507899 /nfs/dbraw/zinc/50/78/99/897507899.db2.gz HCZLIJAQCDYJSE-ZQDZILKHSA-N 2 2 275.396 0.635 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C(C)C ZINC001032453540 897588985 /nfs/dbraw/zinc/58/89/85/897588985.db2.gz DVRBCYGAZWGUPY-KKUMJFAQSA-N 2 2 275.396 0.778 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C(C)C ZINC001032453540 897588993 /nfs/dbraw/zinc/58/89/93/897588993.db2.gz DVRBCYGAZWGUPY-KKUMJFAQSA-N 2 2 275.396 0.778 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C(C)C ZINC001032453540 897589010 /nfs/dbraw/zinc/58/90/10/897589010.db2.gz DVRBCYGAZWGUPY-KKUMJFAQSA-N 2 2 275.396 0.778 20 30 CCEDLP C#CC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCC1 ZINC001326845845 914226114 /nfs/dbraw/zinc/22/61/14/914226114.db2.gz LPJRARKVJSGPRE-UHFFFAOYSA-N 2 2 290.367 0.612 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001108031039 898245024 /nfs/dbraw/zinc/24/50/24/898245024.db2.gz WRFWKDLGXJBXCQ-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001108031039 898245040 /nfs/dbraw/zinc/24/50/40/898245040.db2.gz WRFWKDLGXJBXCQ-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108031039 898245052 /nfs/dbraw/zinc/24/50/52/898245052.db2.gz WRFWKDLGXJBXCQ-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108031039 898245066 /nfs/dbraw/zinc/24/50/66/898245066.db2.gz WRFWKDLGXJBXCQ-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001490948392 903264232 /nfs/dbraw/zinc/26/42/32/903264232.db2.gz HGSHXWNHYVMRML-JOCQHMNTSA-N 2 2 274.368 0.613 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001283542970 904899198 /nfs/dbraw/zinc/89/91/98/904899198.db2.gz GQQYPVQZCANVJX-ZDUSSCGKSA-N 2 2 274.368 0.802 20 30 CCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001284333843 905251717 /nfs/dbraw/zinc/25/17/17/905251717.db2.gz ZJQSTYHFPXDTIX-CYBMUJFWSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CCn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC001336825154 907998943 /nfs/dbraw/zinc/99/89/43/907998943.db2.gz CMWMMQMJTAMJOR-AWEZNQCLSA-N 2 2 262.357 0.063 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317059254 908951129 /nfs/dbraw/zinc/95/11/29/908951129.db2.gz PVBWWVIVVKNSOK-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH+]cn1C ZINC001317435704 909194766 /nfs/dbraw/zinc/19/47/66/909194766.db2.gz UOUVAOAGKKAECE-CQSZACIVSA-N 2 2 288.395 0.957 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH+]cn1C ZINC001317435704 909194773 /nfs/dbraw/zinc/19/47/73/909194773.db2.gz UOUVAOAGKKAECE-CQSZACIVSA-N 2 2 288.395 0.957 20 30 CCEDLP C#CC[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317457795 909230862 /nfs/dbraw/zinc/23/08/62/909230862.db2.gz BRPMNXWVZNCIEP-CYBMUJFWSA-N 2 2 274.368 0.435 20 30 CCEDLP C#CC[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317457795 909230875 /nfs/dbraw/zinc/23/08/75/909230875.db2.gz BRPMNXWVZNCIEP-CYBMUJFWSA-N 2 2 274.368 0.435 20 30 CCEDLP C#C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)C(C)C ZINC001338609066 921523564 /nfs/dbraw/zinc/52/35/64/921523564.db2.gz DYFVCBUVJBJUJE-CYBMUJFWSA-N 2 2 266.389 0.367 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001319307853 910085955 /nfs/dbraw/zinc/08/59/55/910085955.db2.gz ILDNWWKDOUFMDA-CQSZACIVSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001319319949 910090798 /nfs/dbraw/zinc/09/07/98/910090798.db2.gz XHQJCQBRXRROBZ-CQSZACIVSA-N 2 2 290.367 0.032 20 30 CCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001319319949 910090810 /nfs/dbraw/zinc/09/08/10/910090810.db2.gz XHQJCQBRXRROBZ-CQSZACIVSA-N 2 2 290.367 0.032 20 30 CCEDLP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320243475 910551442 /nfs/dbraw/zinc/55/14/42/910551442.db2.gz TWQMCCOZSGWTLE-CHWSQXEVSA-N 2 2 292.383 0.088 20 30 CCEDLP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001321124050 911102642 /nfs/dbraw/zinc/10/26/42/911102642.db2.gz DDURYGWETJDLDQ-ITDFMYJTSA-N 2 2 274.368 0.894 20 30 CCEDLP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001322282139 911744081 /nfs/dbraw/zinc/74/40/81/911744081.db2.gz VNQGQMKEBRQVEP-GFCCVEGCSA-N 2 2 262.357 0.422 20 30 CCEDLP C#CCC[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001322282139 911744087 /nfs/dbraw/zinc/74/40/87/911744087.db2.gz VNQGQMKEBRQVEP-GFCCVEGCSA-N 2 2 262.357 0.422 20 30 CCEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332063199 917834308 /nfs/dbraw/zinc/83/43/08/917834308.db2.gz FTCRMOLCXPUECN-ZIAGYGMSSA-N 2 2 292.383 0.665 20 30 CCEDLP O=C(NCC[NH2+][C@@H]1CC[NH2+]C12CCC2)C1N=CC=CC1=O ZINC001333594940 919028695 /nfs/dbraw/zinc/02/86/95/919028695.db2.gz CDYDMIUSDKPUPO-VEOJIXDASA-N 2 2 290.367 0.387 20 30 CCEDLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC001334391104 919547497 /nfs/dbraw/zinc/54/74/97/919547497.db2.gz RGJGCTNSARPLBY-LPJIALBHSA-N 2 2 278.356 0.243 20 30 CCEDLP C#C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC001335443171 920196139 /nfs/dbraw/zinc/19/61/39/920196139.db2.gz CSTSMJVEZGEIOL-IAGOWNOFSA-N 2 2 287.407 0.559 20 30 CCEDLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001335987049 920548435 /nfs/dbraw/zinc/54/84/35/920548435.db2.gz SCUQRTBAYRXPOL-STQMWFEESA-N 2 2 251.374 0.973 20 30 CCEDLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC001335987049 920548442 /nfs/dbraw/zinc/54/84/42/920548442.db2.gz SCUQRTBAYRXPOL-STQMWFEESA-N 2 2 251.374 0.973 20 30 CCEDLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)CC2(C#N)CC2)n1C ZINC000600725840 362047447 /nfs/dbraw/zinc/04/74/47/362047447.db2.gz KLLSOBRQLFGKAW-GFCCVEGCSA-N 2 2 277.372 0.630 20 30 CCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000049076848 348439096 /nfs/dbraw/zinc/43/90/96/348439096.db2.gz PUOZFLSMBXKOAX-AWEZNQCLSA-N 2 2 286.335 0.784 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCCCO)C2CC2)CC1 ZINC000081672505 349279843 /nfs/dbraw/zinc/27/98/43/349279843.db2.gz DZAWFLGOWGWQMA-UHFFFAOYSA-N 2 2 293.411 0.001 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCCCO)C2CC2)CC1 ZINC000081672505 349279847 /nfs/dbraw/zinc/27/98/47/349279847.db2.gz DZAWFLGOWGWQMA-UHFFFAOYSA-N 2 2 293.411 0.001 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261697990 352563287 /nfs/dbraw/zinc/56/32/87/352563287.db2.gz LJUQEYZLHABCOG-GWCFXTLKSA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261697990 352563289 /nfs/dbraw/zinc/56/32/89/352563289.db2.gz LJUQEYZLHABCOG-GWCFXTLKSA-N 2 2 268.361 0.057 20 30 CCEDLP C#CCNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261980252 352568477 /nfs/dbraw/zinc/56/84/77/352568477.db2.gz OSVFSDWTZVIPEX-STQMWFEESA-N 2 2 259.357 0.975 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNc2nccnc2C#N)CC1 ZINC000267144123 352746860 /nfs/dbraw/zinc/74/68/60/352746860.db2.gz AKUCVNQRBMZTLZ-UHFFFAOYSA-N 2 2 274.372 0.786 20 30 CCEDLP Cc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000556947858 291018018 /nfs/dbraw/zinc/01/80/18/291018018.db2.gz XFMRXPZKIWRVJP-ZDUSSCGKSA-N 2 2 287.367 0.973 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366482452 357216761 /nfs/dbraw/zinc/21/67/61/357216761.db2.gz NAMCRXZVIGEVKP-DZGCQCFKSA-N 2 2 278.400 0.775 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366482452 357216762 /nfs/dbraw/zinc/21/67/62/357216762.db2.gz NAMCRXZVIGEVKP-DZGCQCFKSA-N 2 2 278.400 0.775 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366482452 357216766 /nfs/dbraw/zinc/21/67/66/357216766.db2.gz NAMCRXZVIGEVKP-DZGCQCFKSA-N 2 2 278.400 0.775 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366482452 357216769 /nfs/dbraw/zinc/21/67/69/357216769.db2.gz NAMCRXZVIGEVKP-DZGCQCFKSA-N 2 2 278.400 0.775 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573177549 358943974 /nfs/dbraw/zinc/94/39/74/358943974.db2.gz UUDJEPLKIQCZGM-ZQNQSHIBSA-N 2 2 284.400 0.390 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573177549 358943976 /nfs/dbraw/zinc/94/39/76/358943976.db2.gz UUDJEPLKIQCZGM-ZQNQSHIBSA-N 2 2 284.400 0.390 20 30 CCEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441240 360310608 /nfs/dbraw/zinc/31/06/08/360310608.db2.gz PMZNQTQMYOHVRR-RYUDHWBXSA-N 2 2 263.345 0.799 20 30 CCEDLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441516 360310736 /nfs/dbraw/zinc/31/07/36/360310736.db2.gz SGRBGSDLQZXSID-ZDUSSCGKSA-N 2 2 282.388 0.188 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000598729187 361499144 /nfs/dbraw/zinc/49/91/44/361499144.db2.gz HIELQUSEMIPHLV-KGLIPLIRSA-N 2 2 283.416 0.724 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000598729187 361499150 /nfs/dbraw/zinc/49/91/50/361499150.db2.gz HIELQUSEMIPHLV-KGLIPLIRSA-N 2 2 283.416 0.724 20 30 CCEDLP N#C[C@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000599064011 361563732 /nfs/dbraw/zinc/56/37/32/361563732.db2.gz AAZAVDGHIPPEMY-AVGNSLFASA-N 2 2 264.373 0.608 20 30 CCEDLP N#C[C@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000599064011 361563733 /nfs/dbraw/zinc/56/37/33/361563733.db2.gz AAZAVDGHIPPEMY-AVGNSLFASA-N 2 2 264.373 0.608 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000638523763 375116160 /nfs/dbraw/zinc/11/61/60/375116160.db2.gz GTYITRDULHFFMR-ZDUSSCGKSA-N 2 2 251.374 0.895 20 30 CCEDLP C=CC[C@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000186624354 388843532 /nfs/dbraw/zinc/84/35/32/388843532.db2.gz BEJAXMMMPPKFJB-CYBMUJFWSA-N 2 2 298.431 0.249 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201047 389120257 /nfs/dbraw/zinc/12/02/57/389120257.db2.gz BQPZEQMNGWSFIW-HUUCEWRRSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201047 389120261 /nfs/dbraw/zinc/12/02/61/389120261.db2.gz BQPZEQMNGWSFIW-HUUCEWRRSA-N 2 2 293.411 0.169 20 30 CCEDLP C=CCC[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000320198409 389121602 /nfs/dbraw/zinc/12/16/02/389121602.db2.gz CFVBVUPXTQBGCY-LLVKDONJSA-N 2 2 252.362 0.903 20 30 CCEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC000339438084 389133839 /nfs/dbraw/zinc/13/38/39/389133839.db2.gz VKKCIXJWTOHCAC-ZDUSSCGKSA-N 2 2 250.346 0.044 20 30 CCEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NCC#N)C2)C1 ZINC000339438084 389133841 /nfs/dbraw/zinc/13/38/41/389133841.db2.gz VKKCIXJWTOHCAC-ZDUSSCGKSA-N 2 2 250.346 0.044 20 30 CCEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC000339438084 389133842 /nfs/dbraw/zinc/13/38/42/389133842.db2.gz VKKCIXJWTOHCAC-ZDUSSCGKSA-N 2 2 250.346 0.044 20 30 CCEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC000339438084 389133844 /nfs/dbraw/zinc/13/38/44/389133844.db2.gz VKKCIXJWTOHCAC-ZDUSSCGKSA-N 2 2 250.346 0.044 20 30 CCEDLP CC#CC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000339755524 389138790 /nfs/dbraw/zinc/13/87/90/389138790.db2.gz IFTVKONCPQBANP-UHFFFAOYSA-N 2 2 263.385 0.685 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554945 389199840 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20 30 CCEDLP CC(C)C[NH+]1CCC([NH2+][C@@H]2C(=O)N(O)C[C@@H]2C)CC1 ZINC001258004993 808648125 /nfs/dbraw/zinc/64/81/25/808648125.db2.gz MZVCGMJYBZCKKG-AAEUAGOBSA-N 2 2 269.389 0.933 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262583041 809356982 /nfs/dbraw/zinc/35/69/82/809356982.db2.gz MPBHPPKSLVOOPT-OLZOCXBDSA-N 2 2 282.388 0.052 20 30 CCEDLP C=CCC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001265382135 809768944 /nfs/dbraw/zinc/76/89/44/809768944.db2.gz JBZPYGGIFVGOJN-CYBMUJFWSA-N 2 2 262.357 0.944 20 30 CCEDLP C#CCC[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001265804926 809858033 /nfs/dbraw/zinc/85/80/33/809858033.db2.gz URESWQTVVUOEHW-GFCCVEGCSA-N 2 2 262.357 0.470 20 30 CCEDLP C#CCC[N@H+](CC)CCCNC(=O)Cc1c[nH+]cn1C ZINC001266101097 809936232 /nfs/dbraw/zinc/93/62/32/809936232.db2.gz SUSHHDWYRBJGQR-UHFFFAOYSA-N 2 2 276.384 0.814 20 30 CCEDLP C#CCC[N@@H+](CC)CCCNC(=O)Cc1c[nH+]cn1C ZINC001266101097 809936234 /nfs/dbraw/zinc/93/62/34/809936234.db2.gz 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ZINC001267294335 811110753 /nfs/dbraw/zinc/11/07/53/811110753.db2.gz GOSPWMYUUNWEGR-CYBMUJFWSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267294335 811110758 /nfs/dbraw/zinc/11/07/58/811110758.db2.gz GOSPWMYUUNWEGR-CYBMUJFWSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267294335 811110764 /nfs/dbraw/zinc/11/07/64/811110764.db2.gz GOSPWMYUUNWEGR-CYBMUJFWSA-N 2 2 274.368 0.804 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267304988 811125576 /nfs/dbraw/zinc/12/55/76/811125576.db2.gz NUNJFOXSPRCABV-CYBMUJFWSA-N 2 2 290.367 0.040 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267304988 811125581 /nfs/dbraw/zinc/12/55/81/811125581.db2.gz NUNJFOXSPRCABV-CYBMUJFWSA-N 2 2 290.367 0.040 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC#CC ZINC001027940291 812151891 /nfs/dbraw/zinc/15/18/91/812151891.db2.gz JEUODOPUKWXSHH-HOTGVXAUSA-N 2 2 287.407 0.688 20 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CCEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001269332228 813329602 /nfs/dbraw/zinc/32/96/02/813329602.db2.gz OCYCEFQNHBAZAN-UONOGXRCSA-N 2 2 265.401 0.786 20 30 CCEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001038408705 813544794 /nfs/dbraw/zinc/54/47/94/813544794.db2.gz LAIHHFGJPLOTEI-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001038408705 813544802 /nfs/dbraw/zinc/54/48/02/813544802.db2.gz LAIHHFGJPLOTEI-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038408705 813544810 /nfs/dbraw/zinc/54/48/10/813544810.db2.gz LAIHHFGJPLOTEI-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038408705 813544816 /nfs/dbraw/zinc/54/48/16/813544816.db2.gz LAIHHFGJPLOTEI-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167979053 813883161 /nfs/dbraw/zinc/88/31/61/813883161.db2.gz PJKBLNJUSLSKGV-GFCCVEGCSA-N 2 2 262.357 0.708 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167979053 813883168 /nfs/dbraw/zinc/88/31/68/813883168.db2.gz PJKBLNJUSLSKGV-GFCCVEGCSA-N 2 2 262.357 0.708 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167985333 813911386 /nfs/dbraw/zinc/91/13/86/813911386.db2.gz FLJABQNFPJVRPP-NSHDSACASA-N 2 2 250.346 0.870 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167985333 813911395 /nfs/dbraw/zinc/91/13/95/813911395.db2.gz FLJABQNFPJVRPP-NSHDSACASA-N 2 2 250.346 0.870 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203443841 814279946 /nfs/dbraw/zinc/27/99/46/814279946.db2.gz OUZHQGOFFYZFRM-KBPBESRZSA-N 2 2 286.379 0.993 20 30 CCEDLP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001271317837 814379001 /nfs/dbraw/zinc/37/90/01/814379001.db2.gz OIZZYRYILFFVKA-CYBMUJFWSA-N 2 2 262.357 0.637 20 30 CCEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030183536 815873459 /nfs/dbraw/zinc/87/34/59/815873459.db2.gz RTZHOHGCOHNWIP-CYBMUJFWSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030183536 815873466 /nfs/dbraw/zinc/87/34/66/815873466.db2.gz RTZHOHGCOHNWIP-CYBMUJFWSA-N 2 2 267.373 0.084 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704788 816859542 /nfs/dbraw/zinc/85/95/42/816859542.db2.gz CRICZYJFDOEPIG-VXGBXAGGSA-N 2 2 260.341 0.270 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078760893 818050177 /nfs/dbraw/zinc/05/01/77/818050177.db2.gz CDZQNRZLCVDXLW-RYUDHWBXSA-N 2 2 272.352 0.602 20 30 CCEDLP N#Cc1nc(Cl)cnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161866786 818501211 /nfs/dbraw/zinc/50/12/11/818501211.db2.gz AGFCNKVLWXYKEM-UHFFFAOYSA-N 2 2 280.763 0.837 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703562 818891496 /nfs/dbraw/zinc/89/14/96/818891496.db2.gz HHHJMJCMNRGNIA-ZDUSSCGKSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703562 818891501 /nfs/dbraw/zinc/89/15/01/818891501.db2.gz HHHJMJCMNRGNIA-ZDUSSCGKSA-N 2 2 260.341 0.439 20 30 CCEDLP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148846 819098420 /nfs/dbraw/zinc/09/84/20/819098420.db2.gz PBYOTHVMTVJEQI-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148846 819098423 /nfs/dbraw/zinc/09/84/23/819098423.db2.gz PBYOTHVMTVJEQI-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148846 819098426 /nfs/dbraw/zinc/09/84/26/819098426.db2.gz PBYOTHVMTVJEQI-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148846 819098428 /nfs/dbraw/zinc/09/84/28/819098428.db2.gz PBYOTHVMTVJEQI-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035676927 819601059 /nfs/dbraw/zinc/60/10/59/819601059.db2.gz MQZMRQUFXDWCRU-AWEZNQCLSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035676927 819601061 /nfs/dbraw/zinc/60/10/61/819601061.db2.gz MQZMRQUFXDWCRU-AWEZNQCLSA-N 2 2 293.411 0.427 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604487 821005460 /nfs/dbraw/zinc/00/54/60/821005460.db2.gz RPMBQSNPHQXWPR-VNHYZAJKSA-N 2 2 286.379 0.515 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023779 821112511 /nfs/dbraw/zinc/11/25/11/821112511.db2.gz OVAZIKYFGMPQPQ-QLFBSQMISA-N 2 2 291.395 0.016 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023779 821112516 /nfs/dbraw/zinc/11/25/16/821112516.db2.gz OVAZIKYFGMPQPQ-QLFBSQMISA-N 2 2 291.395 0.016 20 30 CCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083023779 821112526 /nfs/dbraw/zinc/11/25/26/821112526.db2.gz OVAZIKYFGMPQPQ-QLFBSQMISA-N 2 2 291.395 0.016 20 30 CCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023779 821112534 /nfs/dbraw/zinc/11/25/34/821112534.db2.gz OVAZIKYFGMPQPQ-QLFBSQMISA-N 2 2 291.395 0.016 20 30 CCEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001084799484 821395783 /nfs/dbraw/zinc/39/57/83/821395783.db2.gz LUZOJNGNOQARKO-TZMCWYRMSA-N 2 2 274.368 0.979 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001084799484 821395790 /nfs/dbraw/zinc/39/57/90/821395790.db2.gz LUZOJNGNOQARKO-TZMCWYRMSA-N 2 2 274.368 0.979 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085779765 821948365 /nfs/dbraw/zinc/94/83/65/821948365.db2.gz CFSRYAIMVZDSTC-GJZGRUSLSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085779765 821948370 /nfs/dbraw/zinc/94/83/70/821948370.db2.gz CFSRYAIMVZDSTC-GJZGRUSLSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085779765 821948376 /nfs/dbraw/zinc/94/83/76/821948376.db2.gz CFSRYAIMVZDSTC-GJZGRUSLSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085779765 821948380 /nfs/dbraw/zinc/94/83/80/821948380.db2.gz CFSRYAIMVZDSTC-GJZGRUSLSA-N 2 2 293.411 0.262 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287785 822309403 /nfs/dbraw/zinc/30/94/03/822309403.db2.gz ZJWBXYFQZAYNOV-HNNXBMFYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287785 822309408 /nfs/dbraw/zinc/30/94/08/822309408.db2.gz ZJWBXYFQZAYNOV-HNNXBMFYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478222 837801777 /nfs/dbraw/zinc/80/17/77/837801777.db2.gz WDZLFSXOFCBPLZ-LBPRGKRZSA-N 2 2 262.357 0.727 20 30 CCEDLP C=CCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481468 837804760 /nfs/dbraw/zinc/80/47/60/837804760.db2.gz UGWFPHVSNPAACZ-GFCCVEGCSA-N 2 2 262.357 0.727 20 30 CCEDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc(/C=N/O)c1 ZINC001169074790 836128224 /nfs/dbraw/zinc/12/82/24/836128224.db2.gz OCJZVFTVZJGGDM-OHUUDMDPSA-N 2 2 260.297 0.543 20 30 CCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001133021702 838535947 /nfs/dbraw/zinc/53/59/47/838535947.db2.gz SRVSCUGYGMWUNU-GJZGRUSLSA-N 2 2 288.395 0.981 20 30 CCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135468 838559633 /nfs/dbraw/zinc/55/96/33/838559633.db2.gz RXQWVQKAKGWWBH-STQMWFEESA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133371669 838613377 /nfs/dbraw/zinc/61/33/77/838613377.db2.gz VMPWPHKYBOPARF-KBPBESRZSA-N 2 2 274.368 0.591 20 30 CCEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727792 839757207 /nfs/dbraw/zinc/75/72/07/839757207.db2.gz MWZHEBJUUXIGPT-KBPBESRZSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727792 839757212 /nfs/dbraw/zinc/75/72/12/839757212.db2.gz MWZHEBJUUXIGPT-KBPBESRZSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763417 839785745 /nfs/dbraw/zinc/78/57/45/839785745.db2.gz HYXLMIPSEWAVFT-GXTWGEPZSA-N 2 2 292.383 0.388 20 30 CCEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763417 839785755 /nfs/dbraw/zinc/78/57/55/839785755.db2.gz HYXLMIPSEWAVFT-GXTWGEPZSA-N 2 2 292.383 0.388 20 30 CCEDLP COCCC[NH+]1CCC([NH2+][C@@H]2C(=O)N(O)C[C@@H]2C)CC1 ZINC001172247081 841908674 /nfs/dbraw/zinc/90/86/74/841908674.db2.gz CLSVWRWIHWPFAA-AAEUAGOBSA-N 2 2 285.388 0.313 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001094973729 841982157 /nfs/dbraw/zinc/98/21/57/841982157.db2.gz OWXSPNUTYQJLPO-ZNMIVQPWSA-N 2 2 286.379 0.876 20 30 CCEDLP C=C(C[NH+]1CCCC1)C(=O)NCc1c[nH+]cn1CCOC ZINC001183085514 843960286 /nfs/dbraw/zinc/96/02/86/843960286.db2.gz ASYGLAORRZKQTQ-UHFFFAOYSA-N 2 2 292.383 0.798 20 30 CCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639523 845890352 /nfs/dbraw/zinc/89/03/52/845890352.db2.gz CBPZBMMXRPMAPG-CHWSQXEVSA-N 2 2 292.383 0.470 20 30 CCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639523 845890361 /nfs/dbraw/zinc/89/03/61/845890361.db2.gz CBPZBMMXRPMAPG-CHWSQXEVSA-N 2 2 292.383 0.470 20 30 CCEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047425 845964303 /nfs/dbraw/zinc/96/43/03/845964303.db2.gz GASOWCJSGXMNFR-LBPRGKRZSA-N 2 2 260.341 0.508 20 30 CCEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047425 845964308 /nfs/dbraw/zinc/96/43/08/845964308.db2.gz GASOWCJSGXMNFR-LBPRGKRZSA-N 2 2 260.341 0.508 20 30 CCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193601405 846138189 /nfs/dbraw/zinc/13/81/89/846138189.db2.gz CDBFWXXETYKSMA-CHWSQXEVSA-N 2 2 278.356 0.080 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193601405 846138191 /nfs/dbraw/zinc/13/81/91/846138191.db2.gz CDBFWXXETYKSMA-CHWSQXEVSA-N 2 2 278.356 0.080 20 30 CCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193601405 846138193 /nfs/dbraw/zinc/13/81/93/846138193.db2.gz CDBFWXXETYKSMA-CHWSQXEVSA-N 2 2 278.356 0.080 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193601405 846138194 /nfs/dbraw/zinc/13/81/94/846138194.db2.gz CDBFWXXETYKSMA-CHWSQXEVSA-N 2 2 278.356 0.080 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152617990 847344485 /nfs/dbraw/zinc/34/44/85/847344485.db2.gz HQUAVIMXISYIQZ-AWEZNQCLSA-N 2 2 274.368 0.413 20 30 CCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217721 847870228 /nfs/dbraw/zinc/87/02/28/847870228.db2.gz SXIHIYUIHKCKNO-AWEZNQCLSA-N 2 2 290.367 0.114 20 30 CCEDLP C=CCC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000717434305 848260953 /nfs/dbraw/zinc/26/09/53/848260953.db2.gz DYNAMPCWFDRQHX-CQSZACIVSA-N 2 2 286.416 0.329 20 30 CCEDLP C=CCC1(O)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000717434305 848260968 /nfs/dbraw/zinc/26/09/68/848260968.db2.gz DYNAMPCWFDRQHX-CQSZACIVSA-N 2 2 286.416 0.329 20 30 CCEDLP C#CCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001274261357 848431522 /nfs/dbraw/zinc/43/15/22/848431522.db2.gz QUSJAHBIXDSCGG-AAEUAGOBSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccon1 ZINC001274791100 848566918 /nfs/dbraw/zinc/56/69/18/848566918.db2.gz AKZFEKRKJDZDSJ-OCCSQVGLSA-N 2 2 290.367 0.367 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccon1 ZINC001274791100 848566920 /nfs/dbraw/zinc/56/69/20/848566920.db2.gz AKZFEKRKJDZDSJ-OCCSQVGLSA-N 2 2 290.367 0.367 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001274817777 848571295 /nfs/dbraw/zinc/57/12/95/848571295.db2.gz HCCCTOHTLQGENC-NEPJUHHUSA-N 2 2 260.341 0.173 20 30 CCEDLP C=CC[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001274940781 848595285 /nfs/dbraw/zinc/59/52/85/848595285.db2.gz CCHDHCCQYAWXGE-UHFFFAOYSA-N 2 2 278.356 0.012 20 30 CCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114894534 849588279 /nfs/dbraw/zinc/58/82/79/849588279.db2.gz HDZOYVJYVSDGDT-CXTNEJHOSA-N 2 2 272.352 0.514 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114894534 849588284 /nfs/dbraw/zinc/58/82/84/849588284.db2.gz HDZOYVJYVSDGDT-CXTNEJHOSA-N 2 2 272.352 0.514 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038626752 849708892 /nfs/dbraw/zinc/70/88/92/849708892.db2.gz IJZCOJWCTUQGCT-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038626752 849708898 /nfs/dbraw/zinc/70/88/98/849708898.db2.gz IJZCOJWCTUQGCT-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038626752 849708903 /nfs/dbraw/zinc/70/89/03/849708903.db2.gz IJZCOJWCTUQGCT-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP 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/nfs/dbraw/zinc/91/52/07/897915207.db2.gz QYAYLSOVCBFMRV-GJZGRUSLSA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032666010 897915217 /nfs/dbraw/zinc/91/52/17/897915217.db2.gz QYAYLSOVCBFMRV-GJZGRUSLSA-N 2 2 275.396 0.637 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001108031037 898248217 /nfs/dbraw/zinc/24/82/17/898248217.db2.gz WRFWKDLGXJBXCQ-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001108031037 898248231 /nfs/dbraw/zinc/24/82/31/898248231.db2.gz WRFWKDLGXJBXCQ-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108031037 898248247 /nfs/dbraw/zinc/24/82/47/898248247.db2.gz WRFWKDLGXJBXCQ-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108031037 898248261 /nfs/dbraw/zinc/24/82/61/898248261.db2.gz WRFWKDLGXJBXCQ-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001486137967 898684264 /nfs/dbraw/zinc/68/42/64/898684264.db2.gz WIBVZIHPZHBNCE-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001488759804 900370379 /nfs/dbraw/zinc/37/03/79/900370379.db2.gz FPFQRWMXWPVEQH-OKILXGFUSA-N 2 2 288.395 0.860 20 30 CCEDLP CC#CC[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001490728381 900702633 /nfs/dbraw/zinc/70/26/33/900702633.db2.gz LUKNTPGLYXMZBV-CQSZACIVSA-N 2 2 274.368 0.470 20 30 CCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3C#N)CC2)CC1 ZINC001411721185 901214930 /nfs/dbraw/zinc/21/49/30/901214930.db2.gz RICBVYUGPASKQL-IUODEOHRSA-N 2 2 290.411 0.821 20 30 CCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001327582007 914634384 /nfs/dbraw/zinc/63/43/84/914634384.db2.gz SOZSHEGHAZHPGA-HNNXBMFYSA-N 2 2 292.383 0.402 20 30 CCEDLP C=CCC[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001327670420 914695269 /nfs/dbraw/zinc/69/52/69/914695269.db2.gz TWQJOFLUWPZDQI-UHFFFAOYSA-N 2 2 292.383 0.783 20 30 CCEDLP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001281955734 904377478 /nfs/dbraw/zinc/37/74/78/904377478.db2.gz QEOXABVODJFUQU-AWEZNQCLSA-N 2 2 274.368 0.898 20 30 CCEDLP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001281955734 904377495 /nfs/dbraw/zinc/37/74/95/904377495.db2.gz QEOXABVODJFUQU-AWEZNQCLSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C ZINC001284599253 905391843 /nfs/dbraw/zinc/39/18/43/905391843.db2.gz TWELXUBETJACEP-KBPBESRZSA-N 2 2 295.427 0.197 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C ZINC001284599253 905391859 /nfs/dbraw/zinc/39/18/59/905391859.db2.gz TWELXUBETJACEP-KBPBESRZSA-N 2 2 295.427 0.197 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001316636844 905527070 /nfs/dbraw/zinc/52/70/70/905527070.db2.gz RRZANHJOZPZOSN-HAQNSBGRSA-N 2 2 260.341 0.460 20 30 CCEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492214813 907765683 /nfs/dbraw/zinc/76/56/83/907765683.db2.gz DIGURGRPQRFLJH-NSHDSACASA-N 2 2 259.781 0.881 20 30 CCEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492214813 907765691 /nfs/dbraw/zinc/76/56/91/907765691.db2.gz DIGURGRPQRFLJH-NSHDSACASA-N 2 2 259.781 0.881 20 30 CCEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001492214813 907765698 /nfs/dbraw/zinc/76/56/98/907765698.db2.gz DIGURGRPQRFLJH-NSHDSACASA-N 2 2 259.781 0.881 20 30 CCEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001492214813 907765703 /nfs/dbraw/zinc/76/57/03/907765703.db2.gz DIGURGRPQRFLJH-NSHDSACASA-N 2 2 259.781 0.881 20 30 CCEDLP C#CC[N@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001492384104 907889729 /nfs/dbraw/zinc/88/97/29/907889729.db2.gz LVHMNMLPEUZDBS-HNNXBMFYSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001492384104 907889754 /nfs/dbraw/zinc/88/97/54/907889754.db2.gz LVHMNMLPEUZDBS-HNNXBMFYSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001492384104 907889768 /nfs/dbraw/zinc/88/97/68/907889768.db2.gz LVHMNMLPEUZDBS-HNNXBMFYSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001492384104 907889786 /nfs/dbraw/zinc/88/97/86/907889786.db2.gz LVHMNMLPEUZDBS-HNNXBMFYSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001492419931 907915191 /nfs/dbraw/zinc/91/51/91/907915191.db2.gz VVUNOPZMWYMSJG-CHWSQXEVSA-N 2 2 274.368 0.595 20 30 CCEDLP C#CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001492419931 907915204 /nfs/dbraw/zinc/91/52/04/907915204.db2.gz VVUNOPZMWYMSJG-CHWSQXEVSA-N 2 2 274.368 0.595 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317059252 908949935 /nfs/dbraw/zinc/94/99/35/908949935.db2.gz PVBWWVIVVKNSOK-KBPBESRZSA-N 2 2 286.379 0.659 20 30 CCEDLP CC#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317066390 908957363 /nfs/dbraw/zinc/95/73/63/908957363.db2.gz OYQFOPNLQSWLEC-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317120134 908992892 /nfs/dbraw/zinc/99/28/92/908992892.db2.gz BDZDVLDUUIPDNM-UPJWGTAASA-N 2 2 260.341 0.704 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317804333 909506195 /nfs/dbraw/zinc/50/61/95/909506195.db2.gz BHLOAFYTCNGYJT-CYBMUJFWSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317804333 909506213 /nfs/dbraw/zinc/50/62/13/909506213.db2.gz BHLOAFYTCNGYJT-CYBMUJFWSA-N 2 2 274.368 0.804 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001318024473 909586507 /nfs/dbraw/zinc/58/65/07/909586507.db2.gz ALLZPKPTHLSDQE-HNNXBMFYSA-N 2 2 293.411 0.331 20 30 CCEDLP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001321989525 911609671 /nfs/dbraw/zinc/60/96/71/911609671.db2.gz BLWBIFHBRKZCFR-QJPTWQEYSA-N 2 2 260.341 0.251 20 30 CCEDLP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001332529591 918256660 /nfs/dbraw/zinc/25/66/60/918256660.db2.gz OYZTVMKBAKMFLS-STQMWFEESA-N 2 2 292.383 0.040 20 30 CCEDLP C#CC[NH2+]CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC001343408299 923302959 /nfs/dbraw/zinc/30/29/59/923302959.db2.gz XBRDQXCGKKZHIZ-UHFFFAOYSA-N 2 2 261.325 0.546 20 30 CCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001420920135 924022699 /nfs/dbraw/zinc/02/26/99/924022699.db2.gz NOKGCPOUBREAFO-NSHDSACASA-N 2 2 287.791 0.308 20 30 CCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001420920135 924022715 /nfs/dbraw/zinc/02/27/15/924022715.db2.gz NOKGCPOUBREAFO-NSHDSACASA-N 2 2 287.791 0.308 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC001346277813 924142274 /nfs/dbraw/zinc/14/22/74/924142274.db2.gz ZTRMBOGPHYKECJ-OAHLLOKOSA-N 2 2 296.411 0.230 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+]CCn2cc[nH+]c2)CCOCC1 ZINC001351678873 925452531 /nfs/dbraw/zinc/45/25/31/925452531.db2.gz HTSNJUNBXQGBHI-CYBMUJFWSA-N 2 2 278.356 0.544 20 30 CCEDLP C#C[C@H](C)N(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353466866 925841990 /nfs/dbraw/zinc/84/19/90/925841990.db2.gz IGKZJPPXRZWIIO-NSHDSACASA-N 2 2 252.362 0.073 20 30 CCEDLP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001448644792 930936559 /nfs/dbraw/zinc/93/65/59/930936559.db2.gz ZAURJYBZQAUWHX-RYUDHWBXSA-N 2 2 289.807 0.506 20 30 CCEDLP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001448644792 930936565 /nfs/dbraw/zinc/93/65/65/930936565.db2.gz ZAURJYBZQAUWHX-RYUDHWBXSA-N 2 2 289.807 0.506 20 30 CCEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577558 349739033 /nfs/dbraw/zinc/73/90/33/349739033.db2.gz PYGQKDYWUORGAG-MBNYWOFBSA-N 2 2 264.373 0.192 20 30 CCEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577558 349739035 /nfs/dbraw/zinc/73/90/35/349739035.db2.gz PYGQKDYWUORGAG-MBNYWOFBSA-N 2 2 264.373 0.192 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747816 362054033 /nfs/dbraw/zinc/05/40/33/362054033.db2.gz LFETWAFJZCMRNI-DFBGVHRSSA-N 2 2 294.399 0.318 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600747816 362054035 /nfs/dbraw/zinc/05/40/35/362054035.db2.gz LFETWAFJZCMRNI-DFBGVHRSSA-N 2 2 294.399 0.318 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000266221463 352690813 /nfs/dbraw/zinc/69/08/13/352690813.db2.gz RHCVIRDEQPDDGX-CYBMUJFWSA-N 2 2 276.340 0.581 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000266221463 352690816 /nfs/dbraw/zinc/69/08/16/352690816.db2.gz RHCVIRDEQPDDGX-CYBMUJFWSA-N 2 2 276.340 0.581 20 30 CCEDLP C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000610427504 363557584 /nfs/dbraw/zinc/55/75/84/363557584.db2.gz FSQHKKWNKZXSIH-OCCSQVGLSA-N 2 2 278.400 0.773 20 30 CCEDLP C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000610427504 363557587 /nfs/dbraw/zinc/55/75/87/363557587.db2.gz FSQHKKWNKZXSIH-OCCSQVGLSA-N 2 2 278.400 0.773 20 30 CCEDLP N#CCCOCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000590166953 359428446 /nfs/dbraw/zinc/42/84/46/359428446.db2.gz IKCOOXRLRJPJKM-AWEZNQCLSA-N 2 2 294.399 0.331 20 30 CCEDLP N#CCCOCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000590166953 359428449 /nfs/dbraw/zinc/42/84/49/359428449.db2.gz IKCOOXRLRJPJKM-AWEZNQCLSA-N 2 2 294.399 0.331 20 30 CCEDLP CC(C)[N@H+](C)C[C@H](C)NC[C@H](O)C[NH+](C)CCC#N ZINC000591766746 359656468 /nfs/dbraw/zinc/65/64/68/359656468.db2.gz GUHUACNXRWYOST-KBPBESRZSA-N 2 2 270.421 0.511 20 30 CCEDLP CC(C)[N@@H+](C)C[C@H](C)NC[C@H](O)C[NH+](C)CCC#N ZINC000591766746 359656472 /nfs/dbraw/zinc/65/64/72/359656472.db2.gz GUHUACNXRWYOST-KBPBESRZSA-N 2 2 270.421 0.511 20 30 CCEDLP CC(C)[NH+](C)C[C@H](C)NC[C@H](O)C[N@H+](C)CCC#N ZINC000591766746 359656475 /nfs/dbraw/zinc/65/64/75/359656475.db2.gz GUHUACNXRWYOST-KBPBESRZSA-N 2 2 270.421 0.511 20 30 CCEDLP CC(C)[NH+](C)C[C@H](C)NC[C@H](O)C[N@@H+](C)CCC#N ZINC000591766746 359656479 /nfs/dbraw/zinc/65/64/79/359656479.db2.gz GUHUACNXRWYOST-KBPBESRZSA-N 2 2 270.421 0.511 20 30 CCEDLP N#Cc1cnccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000592480955 359852366 /nfs/dbraw/zinc/85/23/66/359852366.db2.gz WWZVNJFPWJBYPC-HNNXBMFYSA-N 2 2 299.378 0.349 20 30 CCEDLP N#Cc1cnccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000592480955 359852371 /nfs/dbraw/zinc/85/23/71/359852371.db2.gz WWZVNJFPWJBYPC-HNNXBMFYSA-N 2 2 299.378 0.349 20 30 CCEDLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nc(C#N)cs1 ZINC000352843171 219680554 /nfs/dbraw/zinc/68/05/54/219680554.db2.gz YCNNPIGTWAGCKR-LLVKDONJSA-N 2 2 279.413 0.740 20 30 CCEDLP CC(C)(CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCOCC1 ZINC000594445738 360313448 /nfs/dbraw/zinc/31/34/48/360313448.db2.gz KZOIFTDWZMJLCX-CYBMUJFWSA-N 2 2 296.415 0.625 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000623634897 367610745 /nfs/dbraw/zinc/61/07/45/367610745.db2.gz FJRVSXGEKOWICC-CQSZACIVSA-N 2 2 296.415 0.267 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000623634897 367610753 /nfs/dbraw/zinc/61/07/53/367610753.db2.gz FJRVSXGEKOWICC-CQSZACIVSA-N 2 2 296.415 0.267 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765697 375995147 /nfs/dbraw/zinc/99/51/47/375995147.db2.gz LUTVLIHZJSBJIQ-MRXNPFEDSA-N 2 2 295.427 0.576 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765697 375995155 /nfs/dbraw/zinc/99/51/55/375995155.db2.gz LUTVLIHZJSBJIQ-MRXNPFEDSA-N 2 2 295.427 0.576 20 30 CCEDLP CC#CC[NH2+]Cc1cn(CCn2cc[nH+]c2C)nn1 ZINC000640985605 376648036 /nfs/dbraw/zinc/64/80/36/376648036.db2.gz KNBWGMSMPNXQEO-UHFFFAOYSA-N 2 2 258.329 0.596 20 30 CCEDLP COCCNC(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000195522535 262251741 /nfs/dbraw/zinc/25/17/41/262251741.db2.gz ATNGPGURHHRBGT-UHFFFAOYSA-N 2 2 251.334 0.434 20 30 CCEDLP C=CC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000121490144 389149017 /nfs/dbraw/zinc/14/90/17/389149017.db2.gz YIXVENWHBHURDD-AWEZNQCLSA-N 2 2 283.416 0.577 20 30 CCEDLP C=CC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000121490144 389149019 /nfs/dbraw/zinc/14/90/19/389149019.db2.gz YIXVENWHBHURDD-AWEZNQCLSA-N 2 2 283.416 0.577 20 30 CCEDLP C=CC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000121490144 389149021 /nfs/dbraw/zinc/14/90/21/389149021.db2.gz YIXVENWHBHURDD-AWEZNQCLSA-N 2 2 283.416 0.577 20 30 CCEDLP C=CC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000121490144 389149023 /nfs/dbraw/zinc/14/90/23/389149023.db2.gz YIXVENWHBHURDD-AWEZNQCLSA-N 2 2 283.416 0.577 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000329784545 389200202 /nfs/dbraw/zinc/20/02/02/389200202.db2.gz WEBATNUUHRXVEX-JHJVBQTASA-N 2 2 284.404 0.303 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000329784545 389200204 /nfs/dbraw/zinc/20/02/04/389200204.db2.gz WEBATNUUHRXVEX-JHJVBQTASA-N 2 2 284.404 0.303 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000329784545 389200205 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PKYDJTVEFMJVMR-KBPBESRZSA-N 2 2 281.400 0.215 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000491639452 332259535 /nfs/dbraw/zinc/25/95/35/332259535.db2.gz WPHOXCKKJNOTOX-AWEZNQCLSA-N 2 2 265.401 0.836 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000491768050 332335498 /nfs/dbraw/zinc/33/54/98/332335498.db2.gz JYDCTHLANQEJEY-AWEZNQCLSA-N 2 2 277.412 0.932 20 30 CCEDLP C=C[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668640717 545184769 /nfs/dbraw/zinc/18/47/69/545184769.db2.gz WTXLZHQTJLLMON-IUODEOHRSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C[C@@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668640717 545184770 /nfs/dbraw/zinc/18/47/70/545184770.db2.gz WTXLZHQTJLLMON-IUODEOHRSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C[C@@](C)(O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616891 545184129 /nfs/dbraw/zinc/18/41/29/545184129.db2.gz HDARTTRRUXQOHN-GOEBONIOSA-N 2 2 295.427 0.550 20 30 CCEDLP 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C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014953739 650508122 /nfs/dbraw/zinc/50/81/22/650508122.db2.gz GOQAMKRSENUCBQ-OLZOCXBDSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014983034 650511354 /nfs/dbraw/zinc/51/13/54/650511354.db2.gz HKLZUYAYMHNVEA-STQMWFEESA-N 2 2 274.368 0.822 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014983034 650511356 /nfs/dbraw/zinc/51/13/56/650511356.db2.gz HKLZUYAYMHNVEA-STQMWFEESA-N 2 2 274.368 0.822 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001014982568 650511530 /nfs/dbraw/zinc/51/15/30/650511530.db2.gz FVGYCKJMZVUTSH-CHWSQXEVSA-N 2 2 274.368 0.822 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001014982568 650511531 /nfs/dbraw/zinc/51/15/31/650511531.db2.gz FVGYCKJMZVUTSH-CHWSQXEVSA-N 2 2 274.368 0.822 20 30 CCEDLP C[C@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000799490810 640577412 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20 30 CCEDLP C#CCC[N@@H+](CCC)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001266575504 790954038 /nfs/dbraw/zinc/95/40/38/790954038.db2.gz QWPDKLPEDLXCHG-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001277676114 805955013 /nfs/dbraw/zinc/95/50/13/805955013.db2.gz QUAFUGZHISDCOQ-UHFFFAOYSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267013124 791444723 /nfs/dbraw/zinc/44/47/23/791444723.db2.gz VIJLUYZHOSHCEC-KBPBESRZSA-N 2 2 286.379 0.659 20 30 CCEDLP C=C(C)C[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001267229207 791707774 /nfs/dbraw/zinc/70/77/74/791707774.db2.gz DPMPQQHQGNWXPZ-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP C=C(C)C[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001267229207 791707776 /nfs/dbraw/zinc/70/77/76/791707776.db2.gz DPMPQQHQGNWXPZ-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCCC2)CC1 ZINC001120589757 798879856 /nfs/dbraw/zinc/87/98/56/798879856.db2.gz RDQAUISARFADLN-HNNXBMFYSA-N 2 2 280.412 0.730 20 30 CCEDLP C=C(Cl)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120648382 798902613 /nfs/dbraw/zinc/90/26/13/798902613.db2.gz ITDLNOQSFVOUNB-UHFFFAOYSA-N 2 2 260.769 0.461 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215492 800028538 /nfs/dbraw/zinc/02/85/38/800028538.db2.gz UPCXYVSBZMNGGO-ZDUSSCGKSA-N 2 2 274.368 0.565 20 30 CCEDLP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156016654 801093803 /nfs/dbraw/zinc/09/38/03/801093803.db2.gz KNVZXIOZRHYICC-GFCCVEGCSA-N 2 2 262.357 0.802 20 30 CCEDLP CC#CC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156016654 801093805 /nfs/dbraw/zinc/09/38/05/801093805.db2.gz KNVZXIOZRHYICC-GFCCVEGCSA-N 2 2 262.357 0.802 20 30 CCEDLP Cc1nc(Cl)nc(NC(=[NH2+])N2CC[NH+](C)CC2)c1C#N ZINC001157915806 801520847 /nfs/dbraw/zinc/52/08/47/801520847.db2.gz VHTPTVXBKXXIIT-UHFFFAOYSA-N 2 2 293.762 0.904 20 30 CCEDLP N#Cc1cnc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204890 801593239 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ZINC001165374574 802829596 /nfs/dbraw/zinc/82/95/96/802829596.db2.gz WBMSVVKSLAQTED-UHFFFAOYSA-N 2 2 274.368 0.852 20 30 CCEDLP C#CC[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205433050 803141487 /nfs/dbraw/zinc/14/14/87/803141487.db2.gz LLOHNIBCKZXSON-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CC[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205433050 803141489 /nfs/dbraw/zinc/14/14/89/803141489.db2.gz LLOHNIBCKZXSON-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208848265 803549764 /nfs/dbraw/zinc/54/97/64/803549764.db2.gz CIXZTQZCGKICST-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305419 803646861 /nfs/dbraw/zinc/64/68/61/803646861.db2.gz XSWJGTXFWGOVNZ-GFCCVEGCSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213397415 803692853 /nfs/dbraw/zinc/69/28/53/803692853.db2.gz LXBQXYIRKSUDCG-MGPQQGTHSA-N 2 2 281.400 0.021 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213397415 803692857 /nfs/dbraw/zinc/69/28/57/803692857.db2.gz LXBQXYIRKSUDCG-MGPQQGTHSA-N 2 2 281.400 0.021 20 30 CCEDLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402204186 803816706 /nfs/dbraw/zinc/81/67/06/803816706.db2.gz JKKRQSLPNMNXJS-DGCLKSJQSA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402204186 803816714 /nfs/dbraw/zinc/81/67/14/803816714.db2.gz JKKRQSLPNMNXJS-DGCLKSJQSA-N 2 2 263.341 0.577 20 30 CCEDLP N#Cc1ccnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218504286 803971836 /nfs/dbraw/zinc/97/18/36/803971836.db2.gz NYFPKXPHDGFYSH-JTQLQIEISA-N 2 2 256.269 0.185 20 30 CCEDLP CC(C)(C)n1cc(C#N)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218558926 804005850 /nfs/dbraw/zinc/00/58/50/804005850.db2.gz MJTQQKOLXSDNOT-QWRGUYRKSA-N 2 2 275.356 0.600 20 30 CCEDLP Cc1ncc(C#N)cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218660055 804068337 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ZINC000602866917 362851099 /nfs/dbraw/zinc/85/10/99/362851099.db2.gz UXSGQWRIFNMJNV-UHFFFAOYSA-N 2 2 264.373 0.386 20 30 CCEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000037749619 348201277 /nfs/dbraw/zinc/20/12/77/348201277.db2.gz SQAAOFMLXRREJA-ZDUSSCGKSA-N 2 2 286.379 0.983 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCCCCC2)CC1 ZINC000081642972 349278091 /nfs/dbraw/zinc/27/80/91/349278091.db2.gz XZYJNIBJRAWWMZ-UHFFFAOYSA-N 2 2 263.385 0.640 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000171690474 350928044 /nfs/dbraw/zinc/92/80/44/350928044.db2.gz KUCCVERTQRZUEC-UHFFFAOYSA-N 2 2 277.372 0.833 20 30 CCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833317 363161537 /nfs/dbraw/zinc/16/15/37/363161537.db2.gz FYFBHURUPVKKTG-GUIRCDHDSA-N 2 2 278.400 0.581 20 30 CCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833317 363161540 /nfs/dbraw/zinc/16/15/40/363161540.db2.gz FYFBHURUPVKKTG-GUIRCDHDSA-N 2 2 278.400 0.581 20 30 CCEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910167 363171124 /nfs/dbraw/zinc/17/11/24/363171124.db2.gz LEXBVZYQXBITME-UPJWGTAASA-N 2 2 264.373 0.146 20 30 CCEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603910167 363171131 /nfs/dbraw/zinc/17/11/31/363171131.db2.gz LEXBVZYQXBITME-UPJWGTAASA-N 2 2 264.373 0.146 20 30 CCEDLP N#Cc1ccnc(N2CC[NH+](CCn3cc[nH+]c3)CC2)c1 ZINC000270787120 352985640 /nfs/dbraw/zinc/98/56/40/352985640.db2.gz BLBJYPSLKAUULS-UHFFFAOYSA-N 2 2 282.351 0.972 20 30 CCEDLP N#Cc1cccc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000355086094 356572921 /nfs/dbraw/zinc/57/29/21/356572921.db2.gz YJUUJCPLHBXEBT-UHFFFAOYSA-N 2 2 282.351 0.972 20 30 CCEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000619672796 366318495 /nfs/dbraw/zinc/31/84/95/366318495.db2.gz BAFKMRAXZIENID-BZUAXINKSA-N 2 2 292.427 0.675 20 30 CCEDLP C=CC[C@@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361118565 357044291 /nfs/dbraw/zinc/04/42/91/357044291.db2.gz VXGIPHOXYVYYCJ-AWEZNQCLSA-N 2 2 284.400 0.931 20 30 CCEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655747864 412653904 /nfs/dbraw/zinc/65/39/04/412653904.db2.gz LFYMLUCJYXUBAX-AWEZNQCLSA-N 2 2 281.400 0.522 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](COCC)C2)CC1 ZINC000490781088 358291527 /nfs/dbraw/zinc/29/15/27/358291527.db2.gz VVLXJXQEAYBPJP-HNNXBMFYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](COCC)C2)CC1 ZINC000490781088 358291529 /nfs/dbraw/zinc/29/15/29/358291529.db2.gz VVLXJXQEAYBPJP-HNNXBMFYSA-N 2 2 293.411 0.122 20 30 CCEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000573490926 358973049 /nfs/dbraw/zinc/97/30/49/358973049.db2.gz RSUGPROPGYFRQV-CHWSQXEVSA-N 2 2 250.346 0.476 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000590599558 359496331 /nfs/dbraw/zinc/49/63/31/359496331.db2.gz IWWPAONMQWXDNY-UHFFFAOYSA-N 2 2 261.329 0.530 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000590599558 359496335 /nfs/dbraw/zinc/49/63/35/359496335.db2.gz IWWPAONMQWXDNY-UHFFFAOYSA-N 2 2 261.329 0.530 20 30 CCEDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(CC#N)cc1 ZINC000593906474 360203653 /nfs/dbraw/zinc/20/36/53/360203653.db2.gz BQPMQNPGRAOAKM-AWEZNQCLSA-N 2 2 274.368 0.648 20 30 CCEDLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436363 360304810 /nfs/dbraw/zinc/30/48/10/360304810.db2.gz DGIDRUNMBRWRKO-QWHCGFSZSA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436363 360304817 /nfs/dbraw/zinc/30/48/17/360304817.db2.gz DGIDRUNMBRWRKO-QWHCGFSZSA-N 2 2 282.388 0.235 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C#N)CCOCC1 ZINC000597990141 361299938 /nfs/dbraw/zinc/29/99/38/361299938.db2.gz OHTUESWZDUOPJO-UHFFFAOYSA-N 2 2 296.415 0.306 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C#N)CCOCC1 ZINC000597990141 361299944 /nfs/dbraw/zinc/29/99/44/361299944.db2.gz OHTUESWZDUOPJO-UHFFFAOYSA-N 2 2 296.415 0.306 20 30 CCEDLP C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C[NH+]1CCOCC1 ZINC000598721516 361495486 /nfs/dbraw/zinc/49/54/86/361495486.db2.gz VASRCBNFMWSQPG-ZIAGYGMSSA-N 2 2 283.416 0.845 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000598729760 361499838 /nfs/dbraw/zinc/49/98/38/361499838.db2.gz MWNRTOFNNXLKBF-ZIAGYGMSSA-N 2 2 283.416 0.724 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000598729760 361499844 /nfs/dbraw/zinc/49/98/44/361499844.db2.gz MWNRTOFNNXLKBF-ZIAGYGMSSA-N 2 2 283.416 0.724 20 30 CCEDLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)CC(C)(C)C#N)n1C ZINC000598719186 361496255 /nfs/dbraw/zinc/49/62/55/361496255.db2.gz IDDCHRMYROOPLD-GFCCVEGCSA-N 2 2 279.388 0.876 20 30 CCEDLP CC(C)(C#N)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000612585645 363964913 /nfs/dbraw/zinc/96/49/13/363964913.db2.gz NLIIJRDINZFOAB-UHFFFAOYSA-N 2 2 294.443 0.922 20 30 CCEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000612585645 363964917 /nfs/dbraw/zinc/96/49/17/363964917.db2.gz NLIIJRDINZFOAB-UHFFFAOYSA-N 2 2 294.443 0.922 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003113 388985133 /nfs/dbraw/zinc/98/51/33/388985133.db2.gz SHEPHFQVGSSPLO-CYBMUJFWSA-N 2 2 296.415 0.662 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076003113 388985136 /nfs/dbraw/zinc/98/51/36/388985136.db2.gz SHEPHFQVGSSPLO-CYBMUJFWSA-N 2 2 296.415 0.662 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000337147523 389048296 /nfs/dbraw/zinc/04/82/96/389048296.db2.gz ZDKCUCXTAITFPG-CQSZACIVSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000337147523 389048298 /nfs/dbraw/zinc/04/82/98/389048298.db2.gz ZDKCUCXTAITFPG-CQSZACIVSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000305102764 389084611 /nfs/dbraw/zinc/08/46/11/389084611.db2.gz YLIJGGPISQSPKX-HUUCEWRRSA-N 2 2 268.401 0.968 20 30 CCEDLP C=CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000305102764 389084612 /nfs/dbraw/zinc/08/46/12/389084612.db2.gz YLIJGGPISQSPKX-HUUCEWRRSA-N 2 2 268.401 0.968 20 30 CCEDLP C[C@@H](C#N)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330431677 389228846 /nfs/dbraw/zinc/22/88/46/389228846.db2.gz MEFRDJHQSQZIRJ-LBPRGKRZSA-N 2 2 252.362 0.242 20 30 CCEDLP C[C@@H](C#N)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330431677 389228848 /nfs/dbraw/zinc/22/88/48/389228848.db2.gz MEFRDJHQSQZIRJ-LBPRGKRZSA-N 2 2 252.362 0.242 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000151921392 389280997 /nfs/dbraw/zinc/28/09/97/389280997.db2.gz SPDMRCQAVVQDTC-AWEZNQCLSA-N 2 2 286.379 0.613 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366562184 389304463 /nfs/dbraw/zinc/30/44/63/389304463.db2.gz VJISMRPAWPBRJW-OCCSQVGLSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366562184 389304466 /nfs/dbraw/zinc/30/44/66/389304466.db2.gz VJISMRPAWPBRJW-OCCSQVGLSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366562184 389304468 /nfs/dbraw/zinc/30/44/68/389304468.db2.gz VJISMRPAWPBRJW-OCCSQVGLSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366562184 389304470 /nfs/dbraw/zinc/30/44/70/389304470.db2.gz VJISMRPAWPBRJW-OCCSQVGLSA-N 2 2 251.374 0.705 20 30 CCEDLP CN(C)C(=[NH+]Cc1c[nH+]c(N(C)C)n1C)N(C)C ZINC000267431773 389371512 /nfs/dbraw/zinc/37/15/12/389371512.db2.gz MVZIBTXQQBLPML-UHFFFAOYSA-N 2 2 252.366 0.465 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428036831 389684908 /nfs/dbraw/zinc/68/49/08/389684908.db2.gz IIDBROGMBQBKSY-SRVKXCTJSA-N 2 2 280.372 0.071 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428036831 389684909 /nfs/dbraw/zinc/68/49/09/389684909.db2.gz IIDBROGMBQBKSY-SRVKXCTJSA-N 2 2 280.372 0.071 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420369861 389993836 /nfs/dbraw/zinc/99/38/36/389993836.db2.gz OPHSJTBGLQEVEK-NOOOWODRSA-N 2 2 282.388 0.363 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103456 390598430 /nfs/dbraw/zinc/59/84/30/390598430.db2.gz UPNYCOIEDGJDOM-UHFFFAOYSA-N 2 2 267.373 0.085 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103456 390598433 /nfs/dbraw/zinc/59/84/33/390598433.db2.gz UPNYCOIEDGJDOM-UHFFFAOYSA-N 2 2 267.373 0.085 20 30 CCEDLP C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C[NH+]1CCOCC1 ZINC000567160887 390675205 /nfs/dbraw/zinc/67/52/05/390675205.db2.gz BCZDCGRTLNVBSP-UONOGXRCSA-N 2 2 264.373 0.988 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414681126 263031710 /nfs/dbraw/zinc/03/17/10/263031710.db2.gz OOMHIRDBZZTLLI-CQSZACIVSA-N 2 2 282.432 0.280 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000370650698 267335037 /nfs/dbraw/zinc/33/50/37/267335037.db2.gz NAJOJQLIJFXTSD-CYBMUJFWSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000370650698 267335039 /nfs/dbraw/zinc/33/50/39/267335039.db2.gz NAJOJQLIJFXTSD-CYBMUJFWSA-N 2 2 263.385 0.685 20 30 CCEDLP C[C@@H]1CN(C(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000262506105 330018575 /nfs/dbraw/zinc/01/85/75/330018575.db2.gz ZUXIQLIQKQNPBW-GFCCVEGCSA-N 2 2 284.404 0.133 20 30 CCEDLP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000262506105 330018577 /nfs/dbraw/zinc/01/85/77/330018577.db2.gz ZUXIQLIQKQNPBW-GFCCVEGCSA-N 2 2 284.404 0.133 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000490617981 332096080 /nfs/dbraw/zinc/09/60/80/332096080.db2.gz SVDWSIFOEACEHQ-AWEZNQCLSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000490617981 332096081 /nfs/dbraw/zinc/09/60/81/332096081.db2.gz SVDWSIFOEACEHQ-AWEZNQCLSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(CC)CO)CC1 ZINC000490719143 332108833 /nfs/dbraw/zinc/10/88/33/332108833.db2.gz LPDYKBGWESRFMX-INIZCTEOSA-N 2 2 293.411 0.001 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(CC)CO)CC1 ZINC000490719143 332108834 /nfs/dbraw/zinc/10/88/34/332108834.db2.gz LPDYKBGWESRFMX-INIZCTEOSA-N 2 2 293.411 0.001 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)C[C@H]2CC)CC1 ZINC000490740254 332110892 /nfs/dbraw/zinc/11/08/92/332110892.db2.gz JVTFJYPKQWPCRR-HUUCEWRRSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H]2CC)CC1 ZINC000490740254 332110893 /nfs/dbraw/zinc/11/08/93/332110893.db2.gz JVTFJYPKQWPCRR-HUUCEWRRSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](COC)C2)CC1 ZINC000490759329 332112691 /nfs/dbraw/zinc/11/26/91/332112691.db2.gz COEXZTMPRMEAKJ-OAHLLOKOSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](COC)C2)CC1 ZINC000490759329 332112693 /nfs/dbraw/zinc/11/26/93/332112693.db2.gz COEXZTMPRMEAKJ-OAHLLOKOSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C(F)F)CC2)CC1 ZINC000490853919 332120857 /nfs/dbraw/zinc/12/08/57/332120857.db2.gz VVHFSMYKZXSKRQ-UHFFFAOYSA-N 2 2 299.365 0.741 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)CC1 ZINC000491326642 332190570 /nfs/dbraw/zinc/19/05/70/332190570.db2.gz OUFRTBQMPKONOZ-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCCC2)CC1 ZINC000491707629 332300312 /nfs/dbraw/zinc/30/03/12/332300312.db2.gz GRJVGJZFHSPHKT-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCCC2)CC1 ZINC000491707629 332300314 /nfs/dbraw/zinc/30/03/14/332300314.db2.gz GRJVGJZFHSPHKT-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H](C)C2)CC1 ZINC000491769572 332336773 /nfs/dbraw/zinc/33/67/73/332336773.db2.gz KUVYWVJCNZWATR-AWEZNQCLSA-N 2 2 295.452 0.449 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@@H](C)C2)CC1 ZINC000491769572 332336774 /nfs/dbraw/zinc/33/67/74/332336774.db2.gz KUVYWVJCNZWATR-AWEZNQCLSA-N 2 2 295.452 0.449 20 30 CCEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000547683181 334109014 /nfs/dbraw/zinc/10/90/14/334109014.db2.gz DICVRBJFVLFDAC-GFCCVEGCSA-N 2 2 287.367 0.648 20 30 CCEDLP N#CCNC(=O)C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000547683181 334109015 /nfs/dbraw/zinc/10/90/15/334109015.db2.gz DICVRBJFVLFDAC-GFCCVEGCSA-N 2 2 287.367 0.648 20 30 CCEDLP Cn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1C#N ZINC000191471741 535973009 /nfs/dbraw/zinc/97/30/09/535973009.db2.gz JRZMHECATAOETH-CYBMUJFWSA-N 2 2 250.346 0.299 20 30 CCEDLP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699671 545219588 /nfs/dbraw/zinc/21/95/88/545219588.db2.gz MERWPOOOCCZEHL-LSDHHAIUSA-N 2 2 268.401 0.968 20 30 CCEDLP C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699671 545219589 /nfs/dbraw/zinc/21/95/89/545219589.db2.gz MERWPOOOCCZEHL-LSDHHAIUSA-N 2 2 268.401 0.968 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000769143496 581674704 /nfs/dbraw/zinc/67/47/04/581674704.db2.gz BCZRKEPDGUALFH-RDBSUJKOSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000769143496 581674706 /nfs/dbraw/zinc/67/47/06/581674706.db2.gz BCZRKEPDGUALFH-RDBSUJKOSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000769143496 581674707 /nfs/dbraw/zinc/67/47/07/581674707.db2.gz BCZRKEPDGUALFH-RDBSUJKOSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000769143496 581674710 /nfs/dbraw/zinc/67/47/10/581674710.db2.gz BCZRKEPDGUALFH-RDBSUJKOSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000730274335 581688467 /nfs/dbraw/zinc/68/84/67/581688467.db2.gz IPERTVUQEZNBIO-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000730274335 581688471 /nfs/dbraw/zinc/68/84/71/581688471.db2.gz IPERTVUQEZNBIO-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC ZINC000730274335 581688474 /nfs/dbraw/zinc/68/84/74/581688474.db2.gz IPERTVUQEZNBIO-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC ZINC000730274335 581688477 /nfs/dbraw/zinc/68/84/77/581688477.db2.gz IPERTVUQEZNBIO-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000730279173 581689861 /nfs/dbraw/zinc/68/98/61/581689861.db2.gz JZXKCHCLQWAKPG-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000730279173 581689863 /nfs/dbraw/zinc/68/98/63/581689863.db2.gz JZXKCHCLQWAKPG-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000730279173 581689865 /nfs/dbraw/zinc/68/98/65/581689865.db2.gz JZXKCHCLQWAKPG-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC)C1 ZINC000730279173 581689867 /nfs/dbraw/zinc/68/98/67/581689867.db2.gz JZXKCHCLQWAKPG-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000771405677 581802676 /nfs/dbraw/zinc/80/26/76/581802676.db2.gz MFFLGTIOOMAORA-MCIONIFRSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000771405677 581802678 /nfs/dbraw/zinc/80/26/78/581802678.db2.gz MFFLGTIOOMAORA-MCIONIFRSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](C)[C@H]1C ZINC000771405677 581802681 /nfs/dbraw/zinc/80/26/81/581802681.db2.gz MFFLGTIOOMAORA-MCIONIFRSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@H](C)[C@H]1C ZINC000771405677 581802683 /nfs/dbraw/zinc/80/26/83/581802683.db2.gz MFFLGTIOOMAORA-MCIONIFRSA-N 2 2 263.385 0.635 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000764574347 582056642 /nfs/dbraw/zinc/05/66/42/582056642.db2.gz NGZCSZZTUYLVTM-CQSZACIVSA-N 2 2 281.400 0.427 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939537151 612969061 /nfs/dbraw/zinc/96/90/61/612969061.db2.gz YTWYCBOZHJTSEE-DGCLKSJQSA-N 2 2 260.341 0.032 20 30 CCEDLP C#CCO[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000823304762 612998623 /nfs/dbraw/zinc/99/86/23/612998623.db2.gz CGHBUSCCWTXVMW-CQSZACIVSA-N 2 2 295.427 0.509 20 30 CCEDLP C#CCO[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000823304762 612998625 /nfs/dbraw/zinc/99/86/25/612998625.db2.gz CGHBUSCCWTXVMW-CQSZACIVSA-N 2 2 295.427 0.509 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701282 613015432 /nfs/dbraw/zinc/01/54/32/613015432.db2.gz FIRHMJJHHXLLHI-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701282 613015434 /nfs/dbraw/zinc/01/54/34/613015434.db2.gz FIRHMJJHHXLLHI-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000812046290 613071649 /nfs/dbraw/zinc/07/16/49/613071649.db2.gz DHQGAAPNMRRBHW-CYBMUJFWSA-N 2 2 278.400 0.430 20 30 CCEDLP C#CCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000812046290 613071651 /nfs/dbraw/zinc/07/16/51/613071651.db2.gz DHQGAAPNMRRBHW-CYBMUJFWSA-N 2 2 278.400 0.430 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000972375536 613091669 /nfs/dbraw/zinc/09/16/69/613091669.db2.gz HEPUTJGLYCLQLQ-BFHYXJOUSA-N 2 2 286.379 0.690 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000972375536 613091671 /nfs/dbraw/zinc/09/16/71/613091671.db2.gz HEPUTJGLYCLQLQ-BFHYXJOUSA-N 2 2 286.379 0.690 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970012444 613119159 /nfs/dbraw/zinc/11/91/59/613119159.db2.gz MTEAFFVWWBIUCC-LLVKDONJSA-N 2 2 290.367 0.420 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H]1COC(=O)Cn1c[nH+]cc1C ZINC000860530443 613176356 /nfs/dbraw/zinc/17/63/56/613176356.db2.gz XFYJEVWKXUVDLW-CYBMUJFWSA-N 2 2 261.325 0.832 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cn1c[nH+]cc1C ZINC000860530443 613176357 /nfs/dbraw/zinc/17/63/57/613176357.db2.gz XFYJEVWKXUVDLW-CYBMUJFWSA-N 2 2 261.325 0.832 20 30 CCEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000852751052 613377663 /nfs/dbraw/zinc/37/76/63/613377663.db2.gz NUNWDIUNVYYCCN-QWHCGFSZSA-N 2 2 298.818 0.959 20 30 CCEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000852751052 613377664 /nfs/dbraw/zinc/37/76/64/613377664.db2.gz NUNWDIUNVYYCCN-QWHCGFSZSA-N 2 2 298.818 0.959 20 30 CCEDLP C=C(Cl)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711368 613378068 /nfs/dbraw/zinc/37/80/68/613378068.db2.gz JGBVPIBZCZVUQT-AXFHLTTASA-N 2 2 271.748 0.606 20 30 CCEDLP C=C(Cl)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711368 613378069 /nfs/dbraw/zinc/37/80/69/613378069.db2.gz JGBVPIBZCZVUQT-AXFHLTTASA-N 2 2 271.748 0.606 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930355 613579886 /nfs/dbraw/zinc/57/98/86/613579886.db2.gz ROCIZFNKOAFBFU-ZIAGYGMSSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930355 613579887 /nfs/dbraw/zinc/57/98/87/613579887.db2.gz ROCIZFNKOAFBFU-ZIAGYGMSSA-N 2 2 288.395 0.955 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC000924983992 613675364 /nfs/dbraw/zinc/67/53/64/613675364.db2.gz LEFYNULKUDGGQX-AWEZNQCLSA-N 2 2 293.411 0.522 20 30 CCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674778 613725266 /nfs/dbraw/zinc/72/52/66/613725266.db2.gz SLGRTGAMLVVYTA-MRXNPFEDSA-N 2 2 293.411 0.572 20 30 CCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674778 613725269 /nfs/dbraw/zinc/72/52/69/613725269.db2.gz SLGRTGAMLVVYTA-MRXNPFEDSA-N 2 2 293.411 0.572 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000884035277 613877550 /nfs/dbraw/zinc/87/75/50/613877550.db2.gz VZFIIXWBQJGSPK-WOPDTQHZSA-N 2 2 283.372 0.019 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000884385433 613877619 /nfs/dbraw/zinc/87/76/19/613877619.db2.gz MLIKIKGVQJXRIF-FRRDWIJNSA-N 2 2 297.399 0.409 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000884212383 613878173 /nfs/dbraw/zinc/87/81/73/613878173.db2.gz DBBXEIMZJIPDNB-ZDUSSCGKSA-N 2 2 297.399 0.424 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000884212383 613878174 /nfs/dbraw/zinc/87/81/74/613878174.db2.gz DBBXEIMZJIPDNB-ZDUSSCGKSA-N 2 2 297.399 0.424 20 30 CCEDLP CC[C@H](C(=O)NCC#CC[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000913521954 615565172 /nfs/dbraw/zinc/56/51/72/615565172.db2.gz URVXDOVEHWRORS-HUUCEWRRSA-N 2 2 295.427 0.557 20 30 CCEDLP CC[C@H](C(=O)NCC#CC[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000913521954 615565173 /nfs/dbraw/zinc/56/51/73/615565173.db2.gz URVXDOVEHWRORS-HUUCEWRRSA-N 2 2 295.427 0.557 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001026253013 625375761 /nfs/dbraw/zinc/37/57/61/625375761.db2.gz WMKWOIATGSPAJG-MELADBBJSA-N 2 2 286.379 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001026385962 625422963 /nfs/dbraw/zinc/42/29/63/625422963.db2.gz JCYAYDPVHLVPQW-RWMBFGLXSA-N 2 2 272.352 0.412 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCF)C1 ZINC001023423999 623026810 /nfs/dbraw/zinc/02/68/10/623026810.db2.gz LIVBGYLDBLDJRL-GJZGRUSLSA-N 2 2 295.402 0.882 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCF)C1 ZINC001023423999 623026815 /nfs/dbraw/zinc/02/68/15/623026815.db2.gz LIVBGYLDBLDJRL-GJZGRUSLSA-N 2 2 295.402 0.882 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCF)C1 ZINC001023423999 623026821 /nfs/dbraw/zinc/02/68/21/623026821.db2.gz LIVBGYLDBLDJRL-GJZGRUSLSA-N 2 2 295.402 0.882 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCF)C1 ZINC001023423999 623026826 /nfs/dbraw/zinc/02/68/26/623026826.db2.gz LIVBGYLDBLDJRL-GJZGRUSLSA-N 2 2 295.402 0.882 20 30 CCEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375399 623302265 /nfs/dbraw/zinc/30/22/65/623302265.db2.gz RLOINLURPGMRLX-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375399 623302273 /nfs/dbraw/zinc/30/22/73/623302273.db2.gz RLOINLURPGMRLX-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024375399 623302280 /nfs/dbraw/zinc/30/22/80/623302280.db2.gz RLOINLURPGMRLX-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024375399 623302291 /nfs/dbraw/zinc/30/22/91/623302291.db2.gz RLOINLURPGMRLX-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006929517 623578736 /nfs/dbraw/zinc/57/87/36/623578736.db2.gz VWMVAUAUIMDXJT-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001006929517 623578737 /nfs/dbraw/zinc/57/87/37/623578737.db2.gz VWMVAUAUIMDXJT-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001006929517 623578739 /nfs/dbraw/zinc/57/87/39/623578739.db2.gz VWMVAUAUIMDXJT-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006929517 623578740 /nfs/dbraw/zinc/57/87/40/623578740.db2.gz VWMVAUAUIMDXJT-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027631785 630814946 /nfs/dbraw/zinc/81/49/46/630814946.db2.gz AJCVSFHKJGZFNH-LBPRGKRZSA-N 2 2 260.341 0.508 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027631785 630814949 /nfs/dbraw/zinc/81/49/49/630814949.db2.gz AJCVSFHKJGZFNH-LBPRGKRZSA-N 2 2 260.341 0.508 20 30 CCEDLP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001006995212 650061118 /nfs/dbraw/zinc/06/11/18/650061118.db2.gz DCVJCZBLYWZJNC-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001006995212 650061120 /nfs/dbraw/zinc/06/11/20/650061120.db2.gz DCVJCZBLYWZJNC-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001006995212 650061122 /nfs/dbraw/zinc/06/11/22/650061122.db2.gz DCVJCZBLYWZJNC-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001006995212 650061127 /nfs/dbraw/zinc/06/11/27/650061127.db2.gz DCVJCZBLYWZJNC-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000987342345 632859219 /nfs/dbraw/zinc/85/92/19/632859219.db2.gz PWEUIDLISXYGAO-AAEUAGOBSA-N 2 2 262.357 0.728 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008307852 650109918 /nfs/dbraw/zinc/10/99/18/650109918.db2.gz YKTVPQXRIHCYJJ-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008307852 650109920 /nfs/dbraw/zinc/10/99/20/650109920.db2.gz YKTVPQXRIHCYJJ-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008307852 650109921 /nfs/dbraw/zinc/10/99/21/650109921.db2.gz YKTVPQXRIHCYJJ-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008307852 650109922 /nfs/dbraw/zinc/10/99/22/650109922.db2.gz YKTVPQXRIHCYJJ-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000989709266 633347472 /nfs/dbraw/zinc/34/74/72/633347472.db2.gz FUCOMHGGOWANMO-CQSZACIVSA-N 2 2 281.400 0.427 20 30 CCEDLP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989709266 633347475 /nfs/dbraw/zinc/34/74/75/633347475.db2.gz FUCOMHGGOWANMO-CQSZACIVSA-N 2 2 281.400 0.427 20 30 CCEDLP C=CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000989709266 633347477 /nfs/dbraw/zinc/34/74/77/633347477.db2.gz FUCOMHGGOWANMO-CQSZACIVSA-N 2 2 281.400 0.427 20 30 CCEDLP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000989709266 633347478 /nfs/dbraw/zinc/34/74/78/633347478.db2.gz FUCOMHGGOWANMO-CQSZACIVSA-N 2 2 281.400 0.427 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993612671 637820177 /nfs/dbraw/zinc/82/01/77/637820177.db2.gz JDGISHPTBZQAGT-UONOGXRCSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC000993612671 637820179 /nfs/dbraw/zinc/82/01/79/637820179.db2.gz JDGISHPTBZQAGT-UONOGXRCSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996462322 638819554 /nfs/dbraw/zinc/81/95/54/638819554.db2.gz SVLUEFVQJWBZND-NSHDSACASA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001000798729 639169017 /nfs/dbraw/zinc/16/90/17/639169017.db2.gz UXDJBMJQGKSKJJ-GFCCVEGCSA-N 2 2 260.341 0.474 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015015725 650514596 /nfs/dbraw/zinc/51/45/96/650514596.db2.gz UMQPETSEXBLCEG-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015015725 650514603 /nfs/dbraw/zinc/51/46/03/650514603.db2.gz UMQPETSEXBLCEG-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001019189620 650945329 /nfs/dbraw/zinc/94/53/29/650945329.db2.gz UCKFTMPBQLFMIR-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001019189620 650945331 /nfs/dbraw/zinc/94/53/31/650945331.db2.gz UCKFTMPBQLFMIR-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001020046048 651031272 /nfs/dbraw/zinc/03/12/72/651031272.db2.gz RXHZOPPUHJWJRV-SRVKXCTJSA-N 2 2 287.791 0.306 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001020046048 651031275 /nfs/dbraw/zinc/03/12/75/651031275.db2.gz RXHZOPPUHJWJRV-SRVKXCTJSA-N 2 2 287.791 0.306 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038257338 791674089 /nfs/dbraw/zinc/67/40/89/791674089.db2.gz AHNHZNUWAAFHDH-UONOGXRCSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001038257338 791674091 /nfs/dbraw/zinc/67/40/91/791674091.db2.gz AHNHZNUWAAFHDH-UONOGXRCSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038257338 791674095 /nfs/dbraw/zinc/67/40/95/791674095.db2.gz AHNHZNUWAAFHDH-UONOGXRCSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001038257338 791674099 /nfs/dbraw/zinc/67/40/99/791674099.db2.gz AHNHZNUWAAFHDH-UONOGXRCSA-N 2 2 263.385 0.683 20 30 CCEDLP N#CC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC1 ZINC001122156704 799157343 /nfs/dbraw/zinc/15/73/43/799157343.db2.gz AKWNUFOZEBNOEI-UHFFFAOYSA-N 2 2 250.346 0.220 20 30 CCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001278164351 806735580 /nfs/dbraw/zinc/73/55/80/806735580.db2.gz CPTYEGJCBADWDU-DGCLKSJQSA-N 2 2 280.372 0.231 20 30 CCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001278164351 806735584 /nfs/dbraw/zinc/73/55/84/806735584.db2.gz CPTYEGJCBADWDU-DGCLKSJQSA-N 2 2 280.372 0.231 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150700782 800361196 /nfs/dbraw/zinc/36/11/96/800361196.db2.gz BEHPZZLZZGYWAJ-UHFFFAOYSA-N 2 2 260.341 0.666 20 30 CCEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092908 800720189 /nfs/dbraw/zinc/72/01/89/800720189.db2.gz QGSVTJFXRLCFJZ-ZIAGYGMSSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154092908 800720194 /nfs/dbraw/zinc/72/01/94/800720194.db2.gz QGSVTJFXRLCFJZ-ZIAGYGMSSA-N 2 2 288.395 0.905 20 30 CCEDLP C=CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156382922 801159434 /nfs/dbraw/zinc/15/94/34/801159434.db2.gz BFXZQFPHYRMMGV-GFCCVEGCSA-N 2 2 264.373 0.975 20 30 CCEDLP C=CC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156382922 801159436 /nfs/dbraw/zinc/15/94/36/801159436.db2.gz BFXZQFPHYRMMGV-GFCCVEGCSA-N 2 2 264.373 0.975 20 30 CCEDLP Cc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c(/C=N/O)c1 ZINC001157915588 801521239 /nfs/dbraw/zinc/52/12/39/801521239.db2.gz SSDGXPCEJPPPTO-CXUHLZMHSA-N 2 2 276.344 0.792 20 30 CCEDLP N#Cc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)cn1 ZINC001158259798 801607033 /nfs/dbraw/zinc/60/70/33/801607033.db2.gz VHYRPLTUEGKRLQ-NSHDSACASA-N 2 2 272.356 0.350 20 30 CCEDLP N#Cc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)cn1 ZINC001158259798 801607038 /nfs/dbraw/zinc/60/70/38/801607038.db2.gz VHYRPLTUEGKRLQ-NSHDSACASA-N 2 2 272.356 0.350 20 30 CCEDLP N#Cc1c(Cl)ncnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160511244 801954966 /nfs/dbraw/zinc/95/49/66/801954966.db2.gz NBZMMUZHPYOHKA-CYBMUJFWSA-N 2 2 292.774 0.837 20 30 CCEDLP C=CCOCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594353 802574884 /nfs/dbraw/zinc/57/48/84/802574884.db2.gz XHOFDIJYMPIYDE-UHFFFAOYSA-N 2 2 280.372 0.572 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166402247 802904983 /nfs/dbraw/zinc/90/49/83/802904983.db2.gz MSAVHACVHCMMCY-NSHDSACASA-N 2 2 260.341 0.559 20 30 CCEDLP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203815167 803046812 /nfs/dbraw/zinc/04/68/12/803046812.db2.gz NKNFKXFACXYMND-ZIAGYGMSSA-N 2 2 286.379 0.923 20 30 CCEDLP C=CCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001276454677 803076483 /nfs/dbraw/zinc/07/64/83/803076483.db2.gz YTLFBKKYDWXKJZ-GFCCVEGCSA-N 2 2 276.384 0.975 20 30 CCEDLP N#C[C@@H]1C[NH2+]CCN1Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001210122019 803639130 /nfs/dbraw/zinc/63/91/30/803639130.db2.gz OMFNHNLIIWFFLE-QGZVFWFLSA-N 2 2 299.422 0.389 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241625 803687172 /nfs/dbraw/zinc/68/71/72/803687172.db2.gz GJMCOBRBZAYMQX-CHWSQXEVSA-N 2 2 278.356 0.275 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241625 803687174 /nfs/dbraw/zinc/68/71/74/803687174.db2.gz GJMCOBRBZAYMQX-CHWSQXEVSA-N 2 2 278.356 0.275 20 30 CCEDLP N#Cc1c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])sc2c1CCC2 ZINC001218548091 803999900 /nfs/dbraw/zinc/99/99/00/803999900.db2.gz NGUFWIYEPOEZEX-UWVGGRQHSA-N 2 2 276.365 0.594 20 30 CCEDLP Cc1cc(C#N)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)s1 ZINC001218556327 804003087 /nfs/dbraw/zinc/00/30/87/804003087.db2.gz YOZUMEKPRQYIPV-BDAKNGLRSA-N 2 2 250.327 0.556 20 30 CCEDLP N#Cc1cccc2[nH]nc(NC(=O)C3([NH3+])CC[NH2+]CC3)c21 ZINC001218656794 804066621 /nfs/dbraw/zinc/06/66/21/804066621.db2.gz OCTPKYGKQOSOIO-UHFFFAOYSA-N 2 2 284.323 0.454 20 30 CCEDLP N#C[C@H](NC(=O)C1([NH3+])CC[NH2+]CC1)c1ccccc1 ZINC001219558196 804347058 /nfs/dbraw/zinc/34/70/58/804347058.db2.gz MDRULOFGRKCUJU-LBPRGKRZSA-N 2 2 258.325 0.448 20 30 CCEDLP N#C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccccc1 ZINC001219558374 804347154 /nfs/dbraw/zinc/34/71/54/804347154.db2.gz OWSQRKLOIDYDTP-VNHYZAJKSA-N 2 2 270.336 0.319 20 30 CCEDLP C=CCC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245984279 807107245 /nfs/dbraw/zinc/10/72/45/807107245.db2.gz IVVTZSCPXAZBDC-UONOGXRCSA-N 3 2 267.417 0.777 20 30 CCEDLP C=CC[C@@](C)([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246500460 807265829 /nfs/dbraw/zinc/26/58/29/807265829.db2.gz PILDQQGTDBIBPV-DGCLKSJQSA-N 2 2 267.373 0.178 20 30 CCEDLP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001278578389 807604319 /nfs/dbraw/zinc/60/43/19/807604319.db2.gz YOEBQEXEBOIQAP-INIZCTEOSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001251847207 807715153 /nfs/dbraw/zinc/71/51/53/807715153.db2.gz BCQZUWGLEQKTOB-OAHLLOKOSA-N 2 2 268.401 0.803 20 30 CCEDLP C=CCOC[C@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252472313 807882600 /nfs/dbraw/zinc/88/26/00/807882600.db2.gz QSMHGNGXUPQNOJ-CQSZACIVSA-N 2 2 254.374 0.720 20 30 CCEDLP C=CCN1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1=O ZINC001256198592 808477512 /nfs/dbraw/zinc/47/75/12/808477512.db2.gz ORPPWIKCSHSBKE-ZDUSSCGKSA-N 2 2 251.374 0.847 20 30 CCEDLP CCC[NH+]1CCC([NH2+][C@@H]2C(=O)N(O)C[C@@H]2C)CC1 ZINC001258769273 808702312 /nfs/dbraw/zinc/70/23/12/808702312.db2.gz IQWHZFUOFWHDIU-JQWIXIFHSA-N 2 2 255.362 0.687 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295254 815274412 /nfs/dbraw/zinc/27/44/12/815274412.db2.gz HKCZLITXINAEGY-GXTWGEPZSA-N 2 2 272.352 0.508 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295254 815274420 /nfs/dbraw/zinc/27/44/20/815274420.db2.gz HKCZLITXINAEGY-GXTWGEPZSA-N 2 2 272.352 0.508 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001263805901 809574569 /nfs/dbraw/zinc/57/45/69/809574569.db2.gz YEBNVLNOJTZRPU-CQSZACIVSA-N 2 2 288.395 0.909 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001263805901 809574572 /nfs/dbraw/zinc/57/45/72/809574572.db2.gz YEBNVLNOJTZRPU-CQSZACIVSA-N 2 2 288.395 0.909 20 30 CCEDLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC#CCOC ZINC001263819597 809579027 /nfs/dbraw/zinc/57/90/27/809579027.db2.gz XSJFHOQXPAKPCT-OAHLLOKOSA-N 2 2 295.427 0.511 20 30 CCEDLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC#CCOC ZINC001263819597 809579032 /nfs/dbraw/zinc/57/90/32/809579032.db2.gz XSJFHOQXPAKPCT-OAHLLOKOSA-N 2 2 295.427 0.511 20 30 CCEDLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#CCOC ZINC001263819597 809579037 /nfs/dbraw/zinc/57/90/37/809579037.db2.gz XSJFHOQXPAKPCT-OAHLLOKOSA-N 2 2 295.427 0.511 20 30 CCEDLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC#CCOC ZINC001263819597 809579041 /nfs/dbraw/zinc/57/90/41/809579041.db2.gz XSJFHOQXPAKPCT-OAHLLOKOSA-N 2 2 295.427 0.511 20 30 CCEDLP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264738876 809676747 /nfs/dbraw/zinc/67/67/47/809676747.db2.gz JNNKLJXGXDHPBB-GJZGRUSLSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264738876 809676750 /nfs/dbraw/zinc/67/67/50/809676750.db2.gz JNNKLJXGXDHPBB-GJZGRUSLSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264738876 809676754 /nfs/dbraw/zinc/67/67/54/809676754.db2.gz JNNKLJXGXDHPBB-GJZGRUSLSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264738876 809676758 /nfs/dbraw/zinc/67/67/58/809676758.db2.gz JNNKLJXGXDHPBB-GJZGRUSLSA-N 2 2 295.427 0.816 20 30 CCEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001267276100 811081666 /nfs/dbraw/zinc/08/16/66/811081666.db2.gz JZLLZLOZTQRCDC-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001267276100 811081678 /nfs/dbraw/zinc/08/16/78/811081678.db2.gz JZLLZLOZTQRCDC-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001268485656 812663803 /nfs/dbraw/zinc/66/38/03/812663803.db2.gz VXZYXVZMIVJUEL-AWEZNQCLSA-N 2 2 295.427 0.721 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001268485344 812664877 /nfs/dbraw/zinc/66/48/77/812664877.db2.gz QPJMQOXZWZUDTD-CYBMUJFWSA-N 2 2 281.400 0.331 20 30 CCEDLP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268746941 813059676 /nfs/dbraw/zinc/05/96/76/813059676.db2.gz SMWHJXRWWFOEJN-MGPQQGTHSA-N 2 2 288.395 0.983 20 30 CCEDLP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268746941 813059685 /nfs/dbraw/zinc/05/96/85/813059685.db2.gz SMWHJXRWWFOEJN-MGPQQGTHSA-N 2 2 288.395 0.983 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001269142906 813238649 /nfs/dbraw/zinc/23/86/49/813238649.db2.gz OSBGLYRGGLBVFP-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001269142906 813238655 /nfs/dbraw/zinc/23/86/55/813238655.db2.gz OSBGLYRGGLBVFP-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001269142906 813238663 /nfs/dbraw/zinc/23/86/63/813238663.db2.gz OSBGLYRGGLBVFP-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001269142906 813238667 /nfs/dbraw/zinc/23/86/67/813238667.db2.gz OSBGLYRGGLBVFP-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001270659649 813877264 /nfs/dbraw/zinc/87/72/64/813877264.db2.gz VUMPLOMSMZGNKJ-HOCLYGCPSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001270659649 813877268 /nfs/dbraw/zinc/87/72/68/813877268.db2.gz VUMPLOMSMZGNKJ-HOCLYGCPSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001030401550 816015389 /nfs/dbraw/zinc/01/53/89/816015389.db2.gz UIFOMIWMJFTVIY-AWEZNQCLSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001030401550 816015396 /nfs/dbraw/zinc/01/53/96/816015396.db2.gz UIFOMIWMJFTVIY-AWEZNQCLSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001120504945 816099760 /nfs/dbraw/zinc/09/97/60/816099760.db2.gz WBVSPEZRMJMPPB-IRXDYDNUSA-N 2 2 290.407 0.843 20 30 CCEDLP CC#CC[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001120504945 816099763 /nfs/dbraw/zinc/09/97/63/816099763.db2.gz WBVSPEZRMJMPPB-IRXDYDNUSA-N 2 2 290.407 0.843 20 30 CCEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839841 816333655 /nfs/dbraw/zinc/33/36/55/816333655.db2.gz SKOIFIDJMXWCLZ-HNNXBMFYSA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839841 816333663 /nfs/dbraw/zinc/33/36/63/816333663.db2.gz SKOIFIDJMXWCLZ-HNNXBMFYSA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001272651956 816937976 /nfs/dbraw/zinc/93/79/76/816937976.db2.gz HZOMSXCBFZEMTD-CYBMUJFWSA-N 2 2 262.357 0.897 20 30 CCEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031779357 817360982 /nfs/dbraw/zinc/36/09/82/817360982.db2.gz PWLCAIJIGYSDEJ-CQSZACIVSA-N 2 2 286.379 0.517 20 30 CCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031978119 817513946 /nfs/dbraw/zinc/51/39/46/817513946.db2.gz OVVHQQPLEPSIRB-GXFFZTMASA-N 2 2 285.819 0.985 20 30 CCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031978119 817513947 /nfs/dbraw/zinc/51/39/47/817513947.db2.gz OVVHQQPLEPSIRB-GXFFZTMASA-N 2 2 285.819 0.985 20 30 CCEDLP C#CC[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032132291 817658947 /nfs/dbraw/zinc/65/89/47/817658947.db2.gz SFZKFZQCZNZIHL-UHFFFAOYSA-N 2 2 272.352 0.442 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127784978 817866406 /nfs/dbraw/zinc/86/64/06/817866406.db2.gz CTAARWMCEIGWBO-UHFFFAOYSA-N 2 2 274.368 0.491 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033183901 818634223 /nfs/dbraw/zinc/63/42/23/818634223.db2.gz HCVSDHREFFWSCL-QLFBSQMISA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033183901 818634226 /nfs/dbraw/zinc/63/42/26/818634226.db2.gz HCVSDHREFFWSCL-QLFBSQMISA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033183901 818634230 /nfs/dbraw/zinc/63/42/30/818634230.db2.gz HCVSDHREFFWSCL-QLFBSQMISA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033183901 818634233 /nfs/dbraw/zinc/63/42/33/818634233.db2.gz HCVSDHREFFWSCL-QLFBSQMISA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206160 818649049 /nfs/dbraw/zinc/64/90/49/818649049.db2.gz GPHXQGVYEXLBLL-KGLIPLIRSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206160 818649054 /nfs/dbraw/zinc/64/90/54/818649054.db2.gz GPHXQGVYEXLBLL-KGLIPLIRSA-N 2 2 286.379 0.611 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704037 818892466 /nfs/dbraw/zinc/89/24/66/818892466.db2.gz NIOIIVSZHCKLAW-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704037 818892470 /nfs/dbraw/zinc/89/24/70/818892470.db2.gz NIOIIVSZHCKLAW-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034149669 819096241 /nfs/dbraw/zinc/09/62/41/819096241.db2.gz YIZPVUAYWOHTPG-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034149669 819096244 /nfs/dbraw/zinc/09/62/44/819096244.db2.gz YIZPVUAYWOHTPG-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149669 819096247 /nfs/dbraw/zinc/09/62/47/819096247.db2.gz YIZPVUAYWOHTPG-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034149669 819096252 /nfs/dbraw/zinc/09/62/52/819096252.db2.gz YIZPVUAYWOHTPG-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034543375 819239618 /nfs/dbraw/zinc/23/96/18/819239618.db2.gz WYIXHHQDILEQJI-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034543375 819239625 /nfs/dbraw/zinc/23/96/25/819239625.db2.gz WYIXHHQDILEQJI-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034543375 819239627 /nfs/dbraw/zinc/23/96/27/819239627.db2.gz WYIXHHQDILEQJI-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034543375 819239633 /nfs/dbraw/zinc/23/96/33/819239633.db2.gz WYIXHHQDILEQJI-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001036237906 819712032 /nfs/dbraw/zinc/71/20/32/819712032.db2.gz IWRIWBUJHOVAIU-NEPJUHHUSA-N 2 2 262.357 0.965 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001036242813 819712138 /nfs/dbraw/zinc/71/21/38/819712138.db2.gz WBUYYALJMPVNDO-RYUDHWBXSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001036315285 819724140 /nfs/dbraw/zinc/72/41/40/819724140.db2.gz SPSIYTBVWVOOCC-QWHCGFSZSA-N 2 2 260.341 0.343 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164659 819732320 /nfs/dbraw/zinc/73/23/20/819732320.db2.gz YYFKDHHAAVFDEI-HNNXBMFYSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164659 819732325 /nfs/dbraw/zinc/73/23/25/819732325.db2.gz YYFKDHHAAVFDEI-HNNXBMFYSA-N 2 2 295.427 0.721 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080419243 820572140 /nfs/dbraw/zinc/57/21/40/820572140.db2.gz PYGQPPHEHFJPAA-YRGRVCCFSA-N 2 2 286.379 0.899 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001080419243 820572147 /nfs/dbraw/zinc/57/21/47/820572147.db2.gz PYGQPPHEHFJPAA-YRGRVCCFSA-N 2 2 286.379 0.899 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108220318 822004511 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/nfs/dbraw/zinc/50/52/58/854505258.db2.gz DGQCEFQPFIMUIP-CYBMUJFWSA-N 2 2 298.390 0.997 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581543 854751010 /nfs/dbraw/zinc/75/10/10/854751010.db2.gz CQOZZBQTUZFTCV-AVGNSLFASA-N 2 2 267.373 0.082 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581543 854751015 /nfs/dbraw/zinc/75/10/15/854751015.db2.gz CQOZZBQTUZFTCV-AVGNSLFASA-N 2 2 267.373 0.082 20 30 CCEDLP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098771832 854884859 /nfs/dbraw/zinc/88/48/59/854884859.db2.gz ALGWUTXXSGDAMS-DZKIICNBSA-N 2 2 293.411 0.474 20 30 CCEDLP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098771832 854884862 /nfs/dbraw/zinc/88/48/62/854884862.db2.gz ALGWUTXXSGDAMS-DZKIICNBSA-N 2 2 293.411 0.474 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098771832 854884866 /nfs/dbraw/zinc/88/48/66/854884866.db2.gz ALGWUTXXSGDAMS-DZKIICNBSA-N 2 2 293.411 0.474 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098771832 854884867 /nfs/dbraw/zinc/88/48/67/854884867.db2.gz ALGWUTXXSGDAMS-DZKIICNBSA-N 2 2 293.411 0.474 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538858 855443831 /nfs/dbraw/zinc/44/38/31/855443831.db2.gz YOLGDDMXQNENPR-ZIAGYGMSSA-N 2 2 288.395 0.670 20 30 CCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC001102538858 855443835 /nfs/dbraw/zinc/44/38/35/855443835.db2.gz YOLGDDMXQNENPR-ZIAGYGMSSA-N 2 2 288.395 0.670 20 30 CCEDLP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001323334079 912275252 /nfs/dbraw/zinc/27/52/52/912275252.db2.gz HTZZBVSFOCQNER-ZDUSSCGKSA-N 2 2 292.383 0.356 20 30 CCEDLP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001323334079 912275265 /nfs/dbraw/zinc/27/52/65/912275265.db2.gz HTZZBVSFOCQNER-ZDUSSCGKSA-N 2 2 292.383 0.356 20 30 CCEDLP C#CC[N@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001481003263 892042668 /nfs/dbraw/zinc/04/26/68/892042668.db2.gz BGCJXYZHOKPLMO-ZDUSSCGKSA-N 2 2 262.357 0.906 20 30 CCEDLP C#CC[N@@H+](CC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001481003263 892042687 /nfs/dbraw/zinc/04/26/87/892042687.db2.gz BGCJXYZHOKPLMO-ZDUSSCGKSA-N 2 2 262.357 0.906 20 30 CCEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001481065815 892125624 /nfs/dbraw/zinc/12/56/24/892125624.db2.gz ABGCIEVYXWIMMR-ZDUSSCGKSA-N 2 2 274.368 0.865 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001481065815 892125629 /nfs/dbraw/zinc/12/56/29/892125629.db2.gz ABGCIEVYXWIMMR-ZDUSSCGKSA-N 2 2 274.368 0.865 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483144503 895024963 /nfs/dbraw/zinc/02/49/63/895024963.db2.gz PLDGGLCTJUKMIL-CHWSQXEVSA-N 2 2 274.368 0.563 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032551270 897737643 /nfs/dbraw/zinc/73/76/43/897737643.db2.gz OZSNUPWJCYWDBR-STQMWFEESA-N 2 2 260.341 0.744 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032551270 897737653 /nfs/dbraw/zinc/73/76/53/897737653.db2.gz OZSNUPWJCYWDBR-STQMWFEESA-N 2 2 260.341 0.744 20 30 CCEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH+]ccc1N ZINC001272808528 897762418 /nfs/dbraw/zinc/76/24/18/897762418.db2.gz RHGVZNKVYKVAFS-HUUCEWRRSA-N 2 2 284.363 0.693 20 30 CCEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH+]ccc1N ZINC001272808528 897762432 /nfs/dbraw/zinc/76/24/32/897762432.db2.gz RHGVZNKVYKVAFS-HUUCEWRRSA-N 2 2 284.363 0.693 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733142 898029393 /nfs/dbraw/zinc/02/93/93/898029393.db2.gz LXNXVMJKVWFRJN-KBPBESRZSA-N 2 2 272.352 0.271 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733142 898029408 /nfs/dbraw/zinc/02/94/08/898029408.db2.gz LXNXVMJKVWFRJN-KBPBESRZSA-N 2 2 272.352 0.271 20 30 CCEDLP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001486310954 898785068 /nfs/dbraw/zinc/78/50/68/898785068.db2.gz AKAVQSIXDMEWAV-GFCCVEGCSA-N 2 2 292.383 0.120 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001491217175 903448626 /nfs/dbraw/zinc/44/86/26/903448626.db2.gz PCHGVRYGCUQFKZ-CQSZACIVSA-N 2 2 274.368 0.795 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001491217175 903448633 /nfs/dbraw/zinc/44/86/33/903448633.db2.gz PCHGVRYGCUQFKZ-CQSZACIVSA-N 2 2 274.368 0.795 20 30 CCEDLP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001491556568 903926148 /nfs/dbraw/zinc/92/61/48/903926148.db2.gz AJGAVLOKRSKPEX-UKRRQHHQSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001491556568 903926156 /nfs/dbraw/zinc/92/61/56/903926156.db2.gz AJGAVLOKRSKPEX-UKRRQHHQSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001316609231 904252106 /nfs/dbraw/zinc/25/21/06/904252106.db2.gz BLRKTHMBIRMLEJ-CQSZACIVSA-N 2 2 292.383 0.618 20 30 CCEDLP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001316609231 904252094 /nfs/dbraw/zinc/25/20/94/904252094.db2.gz BLRKTHMBIRMLEJ-CQSZACIVSA-N 2 2 292.383 0.618 20 30 CCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001281748680 904341899 /nfs/dbraw/zinc/34/18/99/904341899.db2.gz BGSCBEQLQCYROD-QWHCGFSZSA-N 2 2 262.357 0.952 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001316640169 905669560 /nfs/dbraw/zinc/66/95/60/905669560.db2.gz YCAMBEFYGXNCSJ-JOCQHMNTSA-N 2 2 274.368 0.768 20 30 CCEDLP C=CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC001337647940 921281527 /nfs/dbraw/zinc/28/15/27/921281527.db2.gz CKIPXCQUCRHPBQ-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCO[C@H]1CC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC001337647940 921281532 /nfs/dbraw/zinc/28/15/32/921281532.db2.gz CKIPXCQUCRHPBQ-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001317115514 908743005 /nfs/dbraw/zinc/74/30/05/908743005.db2.gz FUUBANOCBFANKD-TXEJJXNPSA-N 2 2 260.341 0.223 20 30 CCEDLP C#CCC[NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001317413281 909186454 /nfs/dbraw/zinc/18/64/54/909186454.db2.gz WXTHHGAGMKOLMQ-LLVKDONJSA-N 2 2 262.357 0.768 20 30 CCEDLP C#CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001317701857 909471903 /nfs/dbraw/zinc/47/19/03/909471903.db2.gz IVBLFQKRKDLDIH-UHFFFAOYSA-N 2 2 262.357 0.802 20 30 CCEDLP C#CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001317701857 909471913 /nfs/dbraw/zinc/47/19/13/909471913.db2.gz IVBLFQKRKDLDIH-UHFFFAOYSA-N 2 2 262.357 0.802 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001317753727 909480678 /nfs/dbraw/zinc/48/06/78/909480678.db2.gz IRYMJRVZIYQLKN-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001317753727 909480685 /nfs/dbraw/zinc/48/06/85/909480685.db2.gz IRYMJRVZIYQLKN-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317753727 909480690 /nfs/dbraw/zinc/48/06/90/909480690.db2.gz IRYMJRVZIYQLKN-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317753727 909480697 /nfs/dbraw/zinc/48/06/97/909480697.db2.gz IRYMJRVZIYQLKN-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001319206615 910037601 /nfs/dbraw/zinc/03/76/01/910037601.db2.gz DZNDZTIQJDTNOF-QWHCGFSZSA-N 2 2 274.368 0.421 20 30 CCEDLP C#CC[NH2+]CCN(CC)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001320861797 910908154 /nfs/dbraw/zinc/90/81/54/910908154.db2.gz BZEZFDBHQNYFQR-GFCCVEGCSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CC[NH2+]CCN(CC)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001320861797 910908170 /nfs/dbraw/zinc/90/81/70/910908170.db2.gz BZEZFDBHQNYFQR-GFCCVEGCSA-N 2 2 262.357 0.660 20 30 CCEDLP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001321560005 911375084 /nfs/dbraw/zinc/37/50/84/911375084.db2.gz KTEJXTHKNKENBW-NEPJUHHUSA-N 2 2 262.357 0.726 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001321897421 911561496 /nfs/dbraw/zinc/56/14/96/911561496.db2.gz TXAGFXRWPZSTFY-STQMWFEESA-N 2 2 274.368 0.563 20 30 CCEDLP C=CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331739176 917561355 /nfs/dbraw/zinc/56/13/55/917561355.db2.gz LMFWOQXCJZVIJS-GFCCVEGCSA-N 2 2 280.372 0.179 20 30 CCEDLP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001332529588 918255439 /nfs/dbraw/zinc/25/54/39/918255439.db2.gz OYZTVMKBAKMFLS-CHWSQXEVSA-N 2 2 292.383 0.040 20 30 CCEDLP C#CC[N@@H+](CCOC)C1CC[NH+](CCOC)CC1 ZINC001333065301 918631587 /nfs/dbraw/zinc/63/15/87/918631587.db2.gz AOBVULOPVOCALZ-UHFFFAOYSA-N 2 2 254.374 0.679 20 30 CCEDLP C#CC[N@H+](CCOC)C1CC[NH+](CCOC)CC1 ZINC001333065301 918631601 /nfs/dbraw/zinc/63/16/01/918631601.db2.gz AOBVULOPVOCALZ-UHFFFAOYSA-N 2 2 254.374 0.679 20 30 CCEDLP O=C(NCC[NH2+][C@@H]1CC[NH2+]C12CCC2)C1N=CC=CC1=O ZINC001333594936 919029662 /nfs/dbraw/zinc/02/96/62/919029662.db2.gz CDYDMIUSDKPUPO-HUTFPVNGSA-N 2 2 290.367 0.387 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001342217839 922864069 /nfs/dbraw/zinc/86/40/69/922864069.db2.gz FQZOBIPYTCPEJN-KBPBESRZSA-N 2 2 281.400 0.603 20 30 CCEDLP CN(C(=O)[C@@H]1C[C@@H]1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001443779333 929700193 /nfs/dbraw/zinc/70/01/93/929700193.db2.gz MPAFIOBYYPFMRO-BPLDGKMQSA-N 2 2 290.411 0.773 20 30 CCEDLP CN(C(=O)[C@@H]1C[C@@H]1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001443779333 929700200 /nfs/dbraw/zinc/70/02/00/929700200.db2.gz MPAFIOBYYPFMRO-BPLDGKMQSA-N 2 2 290.411 0.773 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000600740315 362051517 /nfs/dbraw/zinc/05/15/17/362051517.db2.gz HZELHOFUCJJYTL-WDEREUQCSA-N 2 2 260.341 0.911 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000600740315 362051523 /nfs/dbraw/zinc/05/15/23/362051523.db2.gz HZELHOFUCJJYTL-WDEREUQCSA-N 2 2 260.341 0.911 20 30 CCEDLP C[N@@H+]1CCO[C@H](C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330162456 529788087 /nfs/dbraw/zinc/78/80/87/529788087.db2.gz AIMREAXVBBNWFD-VXGBXAGGSA-N 2 2 293.371 0.032 20 30 CCEDLP C[N@H+]1CCO[C@H](C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330162456 529788089 /nfs/dbraw/zinc/78/80/89/529788089.db2.gz AIMREAXVBBNWFD-VXGBXAGGSA-N 2 2 293.371 0.032 20 30 CCEDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000358145061 529800627 /nfs/dbraw/zinc/80/06/27/529800627.db2.gz VVQKKWGTCUCLKM-CQSZACIVSA-N 2 2 263.316 0.854 20 30 CCEDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000358145061 529800628 /nfs/dbraw/zinc/80/06/28/529800628.db2.gz VVQKKWGTCUCLKM-CQSZACIVSA-N 2 2 263.316 0.854 20 30 CCEDLP C[N@H+]1CC=C(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330280597 530047355 /nfs/dbraw/zinc/04/73/55/530047355.db2.gz SQMIZVUVPRRUCV-ZDUSSCGKSA-N 2 2 289.383 0.963 20 30 CCEDLP C[N@@H+]1CC=C(CNC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330280597 530047356 /nfs/dbraw/zinc/04/73/56/530047356.db2.gz SQMIZVUVPRRUCV-ZDUSSCGKSA-N 2 2 289.383 0.963 20 30 CCEDLP C[N@H+]1CC=C(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330280597 530047357 /nfs/dbraw/zinc/04/73/57/530047357.db2.gz SQMIZVUVPRRUCV-ZDUSSCGKSA-N 2 2 289.383 0.963 20 30 CCEDLP C[N@@H+]1CC=C(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330280597 530047358 /nfs/dbraw/zinc/04/73/58/530047358.db2.gz SQMIZVUVPRRUCV-ZDUSSCGKSA-N 2 2 289.383 0.963 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633316 349277838 /nfs/dbraw/zinc/27/78/38/349277838.db2.gz TUBKNHWDXNZJQM-CQSZACIVSA-N 2 2 265.401 0.952 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633316 349277842 /nfs/dbraw/zinc/27/78/42/349277842.db2.gz TUBKNHWDXNZJQM-CQSZACIVSA-N 2 2 265.401 0.952 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633316 349277845 /nfs/dbraw/zinc/27/78/45/349277845.db2.gz TUBKNHWDXNZJQM-CQSZACIVSA-N 2 2 265.401 0.952 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633316 349277848 /nfs/dbraw/zinc/27/78/48/349277848.db2.gz TUBKNHWDXNZJQM-CQSZACIVSA-N 2 2 265.401 0.952 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)C2CC2)CC1 ZINC000081668301 349279445 /nfs/dbraw/zinc/27/94/45/349279445.db2.gz HEHXLRSTHDNDGF-CYBMUJFWSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)C2CC2)CC1 ZINC000081668301 349279448 /nfs/dbraw/zinc/27/94/48/349279448.db2.gz HEHXLRSTHDNDGF-CYBMUJFWSA-N 2 2 263.385 0.494 20 30 CCEDLP COc1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccc1C#N ZINC000234918443 352178367 /nfs/dbraw/zinc/17/83/67/352178367.db2.gz PBFZPLIUNBFKNO-OAHLLOKOSA-N 2 2 288.395 0.902 20 30 CCEDLP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000234918443 352178370 /nfs/dbraw/zinc/17/83/70/352178370.db2.gz PBFZPLIUNBFKNO-OAHLLOKOSA-N 2 2 288.395 0.902 20 30 CCEDLP N#Cc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000603910269 363171010 /nfs/dbraw/zinc/17/10/10/363171010.db2.gz MTLUZEHJZNNGFR-GJZGRUSLSA-N 2 2 284.363 0.326 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604389808 363192661 /nfs/dbraw/zinc/19/26/61/363192661.db2.gz VEVDCAPGHBFMLO-CABCVRRESA-N 2 2 294.443 0.389 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389808 363192666 /nfs/dbraw/zinc/19/26/66/363192666.db2.gz VEVDCAPGHBFMLO-CABCVRRESA-N 2 2 294.443 0.389 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC000294000346 353858884 /nfs/dbraw/zinc/85/88/84/353858884.db2.gz OSTAPTJXBSDHDF-UHFFFAOYSA-N 2 2 262.357 0.424 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC000294000346 353858888 /nfs/dbraw/zinc/85/88/88/353858888.db2.gz OSTAPTJXBSDHDF-UHFFFAOYSA-N 2 2 262.357 0.424 20 30 CCEDLP C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609921545 363529114 /nfs/dbraw/zinc/52/91/14/363529114.db2.gz KTRUJWRYLBVASU-NEPJUHHUSA-N 2 2 264.373 0.431 20 30 CCEDLP C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609921545 363529119 /nfs/dbraw/zinc/52/91/19/363529119.db2.gz KTRUJWRYLBVASU-NEPJUHHUSA-N 2 2 264.373 0.431 20 30 CCEDLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000582309545 359134497 /nfs/dbraw/zinc/13/44/97/359134497.db2.gz IKZKGQXKRIPGIH-UHFFFAOYSA-N 2 2 261.329 0.249 20 30 CCEDLP N#Cc1cccc2c1C[N@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000593730989 360143330 /nfs/dbraw/zinc/14/33/30/360143330.db2.gz QULYVIKLWXCCNF-UHFFFAOYSA-N 2 2 284.363 0.696 20 30 CCEDLP N#Cc1cccc2c1C[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000593730989 360143333 /nfs/dbraw/zinc/14/33/33/360143333.db2.gz QULYVIKLWXCCNF-UHFFFAOYSA-N 2 2 284.363 0.696 20 30 CCEDLP C[C@H](CC#N)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597991675 361300677 /nfs/dbraw/zinc/30/06/77/361300677.db2.gz GUSYVZQQNWVENL-GFCCVEGCSA-N 2 2 254.378 0.536 20 30 CCEDLP C[C@H](CC#N)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597991675 361300682 /nfs/dbraw/zinc/30/06/82/361300682.db2.gz GUSYVZQQNWVENL-GFCCVEGCSA-N 2 2 254.378 0.536 20 30 CCEDLP C[C@H](C#N)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611623858 363751584 /nfs/dbraw/zinc/75/15/84/363751584.db2.gz DFQYRYBIRHLYLB-OLZOCXBDSA-N 2 2 293.415 0.614 20 30 CCEDLP C[C@H](C#N)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611623858 363751587 /nfs/dbraw/zinc/75/15/87/363751587.db2.gz DFQYRYBIRHLYLB-OLZOCXBDSA-N 2 2 293.415 0.614 20 30 CCEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598597714 361454623 /nfs/dbraw/zinc/45/46/23/361454623.db2.gz UICVHUPUDQVMNK-ZDUSSCGKSA-N 2 2 291.399 0.843 20 30 CCEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638524896 375116518 /nfs/dbraw/zinc/11/65/18/375116518.db2.gz UQMPWCVGWLWODB-UHFFFAOYSA-N 2 2 276.388 0.432 20 30 CCEDLP C#CC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000192221489 389027747 /nfs/dbraw/zinc/02/77/47/389027747.db2.gz ZFAZZXHOJQWOSR-HNNXBMFYSA-N 2 2 273.380 0.971 20 30 CCEDLP C#CC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000192221489 389027749 /nfs/dbraw/zinc/02/77/49/389027749.db2.gz ZFAZZXHOJQWOSR-HNNXBMFYSA-N 2 2 273.380 0.971 20 30 CCEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCC#N)CC1 ZINC000109788102 389100404 /nfs/dbraw/zinc/10/04/04/389100404.db2.gz DMEAEIVVSDKORA-UHFFFAOYSA-N 2 2 252.362 0.432 20 30 CCEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCC#N)CC1 ZINC000109788102 389100408 /nfs/dbraw/zinc/10/04/08/389100408.db2.gz DMEAEIVVSDKORA-UHFFFAOYSA-N 2 2 252.362 0.432 20 30 CCEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329904895 389210615 /nfs/dbraw/zinc/21/06/15/389210615.db2.gz AHKGRNLSPXRBGS-STQMWFEESA-N 2 2 293.371 0.120 20 30 CCEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329904895 389210617 /nfs/dbraw/zinc/21/06/17/389210617.db2.gz AHKGRNLSPXRBGS-STQMWFEESA-N 2 2 293.371 0.120 20 30 CCEDLP Cc1[nH+]ccn1CCNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329904895 389210619 /nfs/dbraw/zinc/21/06/19/389210619.db2.gz AHKGRNLSPXRBGS-STQMWFEESA-N 2 2 293.371 0.120 20 30 CCEDLP Cc1[nH+]ccn1CCNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329904895 389210620 /nfs/dbraw/zinc/21/06/20/389210620.db2.gz AHKGRNLSPXRBGS-STQMWFEESA-N 2 2 293.371 0.120 20 30 CCEDLP CNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264115661 389307791 /nfs/dbraw/zinc/30/77/91/389307791.db2.gz SPAMVLPRNYNPOX-UHFFFAOYSA-N 2 2 262.357 0.553 20 30 CCEDLP C[C@@H](CCC#N)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000411222300 389421709 /nfs/dbraw/zinc/42/17/09/389421709.db2.gz IOAQFIIVPQSSKT-AWEZNQCLSA-N 2 2 278.400 0.919 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000351302164 389573159 /nfs/dbraw/zinc/57/31/59/389573159.db2.gz ITUAPLBUASLVHS-UHFFFAOYSA-N 2 2 294.443 0.392 20 30 CCEDLP CC[N@@H+]1CCCC[C@H]1CNC[C@H](O)C[NH+](C)CCC#N ZINC000570795547 390719270 /nfs/dbraw/zinc/71/92/70/390719270.db2.gz XNRCMDFDQHFWDU-GJZGRUSLSA-N 2 2 282.432 0.657 20 30 CCEDLP CC[N@H+]1CCCC[C@H]1CNC[C@H](O)C[NH+](C)CCC#N ZINC000570795547 390719272 /nfs/dbraw/zinc/71/92/72/390719272.db2.gz XNRCMDFDQHFWDU-GJZGRUSLSA-N 2 2 282.432 0.657 20 30 CCEDLP CC[NH+]1CCCC[C@H]1CNC[C@H](O)C[N@H+](C)CCC#N ZINC000570795547 390719273 /nfs/dbraw/zinc/71/92/73/390719273.db2.gz XNRCMDFDQHFWDU-GJZGRUSLSA-N 2 2 282.432 0.657 20 30 CCEDLP CC[NH+]1CCCC[C@H]1CNC[C@H](O)C[N@@H+](C)CCC#N ZINC000570795547 390719275 /nfs/dbraw/zinc/71/92/75/390719275.db2.gz XNRCMDFDQHFWDU-GJZGRUSLSA-N 2 2 282.432 0.657 20 30 CCEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000552096568 286152560 /nfs/dbraw/zinc/15/25/60/286152560.db2.gz FLWXIJFSLMXLBA-PWSUYJOCSA-N 2 2 260.345 0.222 20 30 CCEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000552096568 286152563 /nfs/dbraw/zinc/15/25/63/286152563.db2.gz FLWXIJFSLMXLBA-PWSUYJOCSA-N 2 2 260.345 0.222 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318570 414709464 /nfs/dbraw/zinc/70/94/64/414709464.db2.gz BZQDWWNUKVWSGJ-CYBMUJFWSA-N 2 2 269.389 0.331 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318570 414709465 /nfs/dbraw/zinc/70/94/65/414709465.db2.gz BZQDWWNUKVWSGJ-CYBMUJFWSA-N 2 2 269.389 0.331 20 30 CCEDLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328665015 545018304 /nfs/dbraw/zinc/01/83/04/545018304.db2.gz YYHFWFANROMQKA-KGLIPLIRSA-N 2 2 296.415 0.449 20 30 CCEDLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328665015 545018305 /nfs/dbraw/zinc/01/83/05/545018305.db2.gz YYHFWFANROMQKA-KGLIPLIRSA-N 2 2 296.415 0.449 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428036830 262605048 /nfs/dbraw/zinc/60/50/48/262605048.db2.gz IIDBROGMBQBKSY-SDDRHHMPSA-N 2 2 280.372 0.071 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428036830 262605051 /nfs/dbraw/zinc/60/50/51/262605051.db2.gz IIDBROGMBQBKSY-SDDRHHMPSA-N 2 2 280.372 0.071 20 30 CCEDLP CN(C)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000289377572 263109651 /nfs/dbraw/zinc/10/96/51/263109651.db2.gz KWGPXPVXGOLHAA-UHFFFAOYSA-N 2 2 278.356 0.473 20 30 CCEDLP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000330849526 264067835 /nfs/dbraw/zinc/06/78/35/264067835.db2.gz DMIDIURDOGTDFJ-NWDGAFQWSA-N 2 2 284.404 0.841 20 30 CCEDLP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000330849526 264067837 /nfs/dbraw/zinc/06/78/37/264067837.db2.gz DMIDIURDOGTDFJ-NWDGAFQWSA-N 2 2 284.404 0.841 20 30 CCEDLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000330849526 264067839 /nfs/dbraw/zinc/06/78/39/264067839.db2.gz DMIDIURDOGTDFJ-NWDGAFQWSA-N 2 2 284.404 0.841 20 30 CCEDLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000330849526 264067841 /nfs/dbraw/zinc/06/78/41/264067841.db2.gz DMIDIURDOGTDFJ-NWDGAFQWSA-N 2 2 284.404 0.841 20 30 CCEDLP Cc1cc(NCCN2CC[NH+](C)CC2)c(C#N)c[nH+]1 ZINC000399434377 267300592 /nfs/dbraw/zinc/30/05/92/267300592.db2.gz JXXGZDXCGQBROJ-UHFFFAOYSA-N 2 2 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329010352 /nfs/dbraw/zinc/01/03/52/329010352.db2.gz HTOYYZGYPCPYBC-GFCCVEGCSA-N 2 2 282.388 0.414 20 30 CCEDLP C=C(C)C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000181258094 329228004 /nfs/dbraw/zinc/22/80/04/329228004.db2.gz ZPUSSCAPDMMXLM-UHFFFAOYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=C(C)C[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000181258094 329228005 /nfs/dbraw/zinc/22/80/05/329228005.db2.gz ZPUSSCAPDMMXLM-UHFFFAOYSA-N 2 2 283.416 0.721 20 30 CCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262471192 330015657 /nfs/dbraw/zinc/01/56/57/330015657.db2.gz OGSRZZJPPRMMTA-CHWSQXEVSA-N 3 2 290.415 0.587 20 30 CCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262471192 330015659 /nfs/dbraw/zinc/01/56/59/330015659.db2.gz OGSRZZJPPRMMTA-CHWSQXEVSA-N 3 2 290.415 0.587 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000490617982 332096211 /nfs/dbraw/zinc/09/62/11/332096211.db2.gz SVDWSIFOEACEHQ-CQSZACIVSA-N 2 2 293.411 0.169 20 30 CCEDLP 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CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015599887 650589049 /nfs/dbraw/zinc/58/90/49/650589049.db2.gz WUJSKBMENFJPDD-GJZGRUSLSA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015599887 650589051 /nfs/dbraw/zinc/58/90/51/650589051.db2.gz WUJSKBMENFJPDD-GJZGRUSLSA-N 2 2 293.411 0.309 20 30 CCEDLP C[C@@H](C#N)OCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000801922404 640674147 /nfs/dbraw/zinc/67/41/47/640674147.db2.gz WDRXGIGCEQSTEP-ZDUSSCGKSA-N 2 2 269.389 0.694 20 30 CCEDLP C[C@@H](C#N)OCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000801922404 640674153 /nfs/dbraw/zinc/67/41/53/640674153.db2.gz WDRXGIGCEQSTEP-ZDUSSCGKSA-N 2 2 269.389 0.694 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000834494335 642584261 /nfs/dbraw/zinc/58/42/61/642584261.db2.gz MNNVGDHBLGQTHV-VHRDEZTHSA-N 2 2 280.278 0.192 20 30 CCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C#CC1CC1 ZINC000837415546 642743161 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COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000930297415 648846179 /nfs/dbraw/zinc/84/61/79/648846179.db2.gz YZCUIPLPZISABE-GFCCVEGCSA-N 2 2 276.340 0.487 20 30 CCEDLP [NH2+]=C(NCCCn1cc[nH+]c1)N1CCSCC1 ZINC000303714342 649824140 /nfs/dbraw/zinc/82/41/40/649824140.db2.gz RIXZKENWOCVFQH-UHFFFAOYSA-N 2 2 253.375 0.637 20 30 CCEDLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000402130970 790409488 /nfs/dbraw/zinc/40/94/88/790409488.db2.gz DXSXRABPBWQUSH-WCQYABFASA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000402130970 790409492 /nfs/dbraw/zinc/40/94/92/790409492.db2.gz DXSXRABPBWQUSH-WCQYABFASA-N 2 2 263.341 0.577 20 30 CCEDLP C=CCC[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245984267 807107063 /nfs/dbraw/zinc/10/70/63/807107063.db2.gz IVVTZSCPXAZBDC-KBPBESRZSA-N 3 2 267.417 0.777 20 30 CCEDLP C#CC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100525960 791250956 /nfs/dbraw/zinc/25/09/56/791250956.db2.gz KXEMILZMAUDLMR-UHFFFAOYSA-N 2 2 274.368 0.470 20 30 CCEDLP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266995551 791429213 /nfs/dbraw/zinc/42/92/13/791429213.db2.gz IPALQJFKOYFMGS-JTQLQIEISA-N 2 2 256.737 0.730 20 30 CCEDLP C#CC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001278282079 806805737 /nfs/dbraw/zinc/80/57/37/806805737.db2.gz MEBFICZCDYGPHX-CYBMUJFWSA-N 2 2 274.368 0.850 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149557881 800276887 /nfs/dbraw/zinc/27/68/87/800276887.db2.gz CNHYBWXOMVGBIO-UHFFFAOYSA-N 2 2 250.346 0.635 20 30 CCEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824402 800371137 /nfs/dbraw/zinc/37/11/37/800371137.db2.gz KZWRMUXNJCWYKY-CQSZACIVSA-N 2 2 292.383 0.666 20 30 CCEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824402 800371145 /nfs/dbraw/zinc/37/11/45/800371145.db2.gz KZWRMUXNJCWYKY-CQSZACIVSA-N 2 2 292.383 0.666 20 30 CCEDLP C#CC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152603639 800541830 /nfs/dbraw/zinc/54/18/30/800541830.db2.gz NVNXQSOBBLFGRO-CYBMUJFWSA-N 2 2 260.341 0.023 20 30 CCEDLP C=CCOCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265818 801334853 /nfs/dbraw/zinc/33/48/53/801334853.db2.gz YMMIHCSGFJLXFH-UHFFFAOYSA-N 2 2 280.372 0.641 20 30 CCEDLP Cc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)cnc1C#N ZINC001158267693 801609905 /nfs/dbraw/zinc/60/99/05/801609905.db2.gz JCIOHUNJDSJOAC-GFCCVEGCSA-N 2 2 286.383 0.659 20 30 CCEDLP Cc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)cnc1C#N ZINC001158267693 801609909 /nfs/dbraw/zinc/60/99/09/801609909.db2.gz JCIOHUNJDSJOAC-GFCCVEGCSA-N 2 2 286.383 0.659 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160844760 802027861 /nfs/dbraw/zinc/02/78/61/802027861.db2.gz VCPHWCGNLJMATG-UHFFFAOYSA-N 2 2 275.352 0.752 20 30 CCEDLP Cn1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)cc1C#N ZINC001207102038 803351687 /nfs/dbraw/zinc/35/16/87/803351687.db2.gz UFCUZMHDPNUIAG-UHFFFAOYSA-N 2 2 275.400 0.576 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210898767 803663943 /nfs/dbraw/zinc/66/39/43/803663943.db2.gz CDDRHZNLYUYNEH-CQSZACIVSA-N 2 2 288.395 0.957 20 30 CCEDLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000402130969 803812862 /nfs/dbraw/zinc/81/28/62/803812862.db2.gz DXSXRABPBWQUSH-DGCLKSJQSA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000402130969 803812872 /nfs/dbraw/zinc/81/28/72/803812872.db2.gz DXSXRABPBWQUSH-DGCLKSJQSA-N 2 2 263.341 0.577 20 30 CCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218803846 804126025 /nfs/dbraw/zinc/12/60/25/804126025.db2.gz SFENNVFYTPEAOE-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218803846 804126030 /nfs/dbraw/zinc/12/60/30/804126030.db2.gz SFENNVFYTPEAOE-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccccc1 ZINC001221360832 804787077 /nfs/dbraw/zinc/78/70/77/804787077.db2.gz NBNHAYNNNZKSDY-MELADBBJSA-N 2 2 259.353 0.967 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089220 804866902 /nfs/dbraw/zinc/86/69/02/804866902.db2.gz FDNQZBUGUOFNFK-HUUCEWRRSA-N 2 2 286.379 0.829 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001222089220 804866909 /nfs/dbraw/zinc/86/69/09/804866909.db2.gz FDNQZBUGUOFNFK-HUUCEWRRSA-N 2 2 286.379 0.829 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226672267 805263215 /nfs/dbraw/zinc/26/32/15/805263215.db2.gz SEANPTLFNJQBRT-ZIAGYGMSSA-N 2 2 274.368 0.993 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226672267 805263222 /nfs/dbraw/zinc/26/32/22/805263222.db2.gz SEANPTLFNJQBRT-ZIAGYGMSSA-N 2 2 274.368 0.993 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038111341 815067400 /nfs/dbraw/zinc/06/74/00/815067400.db2.gz RJYQOSZWEJEORL-CHWSQXEVSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038111341 815067405 /nfs/dbraw/zinc/06/74/05/815067405.db2.gz RJYQOSZWEJEORL-CHWSQXEVSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038111341 815067409 /nfs/dbraw/zinc/06/74/09/815067409.db2.gz RJYQOSZWEJEORL-CHWSQXEVSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038111341 815067410 /nfs/dbraw/zinc/06/74/10/815067410.db2.gz RJYQOSZWEJEORL-CHWSQXEVSA-N 2 2 251.374 0.847 20 30 CCEDLP C#CCC[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001277372953 805517063 /nfs/dbraw/zinc/51/70/63/805517063.db2.gz OGPHISBRJIDJNN-ZDUSSCGKSA-N 2 2 262.357 0.781 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278377032 807051426 /nfs/dbraw/zinc/05/14/26/807051426.db2.gz CEQCMUMLHTVNDT-OCCSQVGLSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278377032 807051433 /nfs/dbraw/zinc/05/14/33/807051433.db2.gz CEQCMUMLHTVNDT-OCCSQVGLSA-N 2 2 274.368 0.945 20 30 CCEDLP C=C[C@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246005065 807113130 /nfs/dbraw/zinc/11/31/30/807113130.db2.gz CWXWERBNIIODOT-GJZGRUSLSA-N 2 2 292.379 0.974 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989735924 815092267 /nfs/dbraw/zinc/09/22/67/815092267.db2.gz JFSZAZYBZOVTAJ-CHWSQXEVSA-N 2 2 274.368 0.565 20 30 CCEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246304880 807215639 /nfs/dbraw/zinc/21/56/39/807215639.db2.gz IMMQOSLNPKDQDR-KCPJHIHWSA-N 2 2 259.353 0.659 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[NH2+][C@@H](C)C1 ZINC001246306385 807217107 /nfs/dbraw/zinc/21/71/07/807217107.db2.gz WOOXFKZVJGHXND-AVGNSLFASA-N 3 2 269.389 0.553 20 30 CCEDLP N#CCC[N@H+](Cc1cccnc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246553511 807284429 /nfs/dbraw/zinc/28/44/29/807284429.db2.gz YRWQIIOZNSGLGT-OAHLLOKOSA-N 2 2 285.395 0.891 20 30 CCEDLP N#CCC[N@@H+](Cc1cccnc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246553511 807284432 /nfs/dbraw/zinc/28/44/32/807284432.db2.gz YRWQIIOZNSGLGT-OAHLLOKOSA-N 2 2 285.395 0.891 20 30 CCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001251847206 807715375 /nfs/dbraw/zinc/71/53/75/807715375.db2.gz BCQZUWGLEQKTOB-HNNXBMFYSA-N 2 2 268.401 0.803 20 30 CCEDLP C=C[C@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001253575856 808084349 /nfs/dbraw/zinc/08/43/49/808084349.db2.gz GHDGPTBLSNFJQM-JKSUJKDBSA-N 2 2 298.427 0.594 20 30 CCEDLP C=C[C@H](O)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001253575856 808084356 /nfs/dbraw/zinc/08/43/56/808084356.db2.gz GHDGPTBLSNFJQM-JKSUJKDBSA-N 2 2 298.427 0.594 20 30 CCEDLP C=C[C@H](O)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001253575856 808084361 /nfs/dbraw/zinc/08/43/61/808084361.db2.gz GHDGPTBLSNFJQM-JKSUJKDBSA-N 2 2 298.427 0.594 20 30 CCEDLP C=C[C@H](O)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001253575856 808084368 /nfs/dbraw/zinc/08/43/68/808084368.db2.gz GHDGPTBLSNFJQM-JKSUJKDBSA-N 2 2 298.427 0.594 20 30 CCEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168363048 815186584 /nfs/dbraw/zinc/18/65/84/815186584.db2.gz ROQUHVXJKJKNRM-GWCFXTLKSA-N 2 2 267.373 0.687 20 30 CCEDLP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCOC ZINC001279041287 808634964 /nfs/dbraw/zinc/63/49/64/808634964.db2.gz VZRSVLWNDPDADC-AWEZNQCLSA-N 2 2 281.400 0.169 20 30 CCEDLP CC#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CCOC ZINC001279041287 808634966 /nfs/dbraw/zinc/63/49/66/808634966.db2.gz VZRSVLWNDPDADC-AWEZNQCLSA-N 2 2 281.400 0.169 20 30 CCEDLP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CCOC ZINC001279041287 808634974 /nfs/dbraw/zinc/63/49/74/808634974.db2.gz VZRSVLWNDPDADC-AWEZNQCLSA-N 2 2 281.400 0.169 20 30 CCEDLP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CCOC ZINC001279041287 808634981 /nfs/dbraw/zinc/63/49/81/808634981.db2.gz VZRSVLWNDPDADC-AWEZNQCLSA-N 2 2 281.400 0.169 20 30 CCEDLP COCC#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001265382568 809769290 /nfs/dbraw/zinc/76/92/90/809769290.db2.gz QMSICYDJKFVPPC-CQSZACIVSA-N 2 2 290.367 0.017 20 30 CCEDLP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265791881 809854394 /nfs/dbraw/zinc/85/43/94/809854394.db2.gz CIMUPFYXMQVPIP-RYUDHWBXSA-N 2 2 260.341 0.173 20 30 CCEDLP C=C(C)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001265856040 809877580 /nfs/dbraw/zinc/87/75/80/809877580.db2.gz IBLBMYXITMKYCU-JTQLQIEISA-N 2 2 250.346 0.931 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001267299011 811116824 /nfs/dbraw/zinc/11/68/24/811116824.db2.gz VJEOKCMJPLMCJE-ZDUSSCGKSA-N 2 2 274.368 0.424 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001267299011 811116831 /nfs/dbraw/zinc/11/68/31/811116831.db2.gz VJEOKCMJPLMCJE-ZDUSSCGKSA-N 2 2 274.368 0.424 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(C)C ZINC001038366765 811791873 /nfs/dbraw/zinc/79/18/73/811791873.db2.gz JCGPLSHBBUWJKY-GJZGRUSLSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC(C)C ZINC001038366765 811791875 /nfs/dbraw/zinc/79/18/75/811791875.db2.gz JCGPLSHBBUWJKY-GJZGRUSLSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC(C)C ZINC001038366765 811791878 /nfs/dbraw/zinc/79/18/78/811791878.db2.gz JCGPLSHBBUWJKY-GJZGRUSLSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027982409 812194134 /nfs/dbraw/zinc/19/41/34/812194134.db2.gz VQMWNKBIGLYSIC-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027982409 812194138 /nfs/dbraw/zinc/19/41/38/812194138.db2.gz VQMWNKBIGLYSIC-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001268182205 812350234 /nfs/dbraw/zinc/35/02/34/812350234.db2.gz YZYIGGOSCLGPQY-KGLIPLIRSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CCC[NH2+]CCN(CC)C(=O)Cc1[nH]c[nH+]c1C ZINC001268494078 812699595 /nfs/dbraw/zinc/69/95/95/812699595.db2.gz OBVFQTVVYGABLV-UHFFFAOYSA-N 2 2 262.357 0.722 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001269254493 813291844 /nfs/dbraw/zinc/29/18/44/813291844.db2.gz AQWLLUFCRNULPV-AWEZNQCLSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001269254493 813291850 /nfs/dbraw/zinc/29/18/50/813291850.db2.gz AQWLLUFCRNULPV-AWEZNQCLSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796453 813520751 /nfs/dbraw/zinc/52/07/51/813520751.db2.gz AYOYWDXKFXFTFX-QWHCGFSZSA-N 2 2 286.379 0.901 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796453 813520756 /nfs/dbraw/zinc/52/07/56/813520756.db2.gz AYOYWDXKFXFTFX-QWHCGFSZSA-N 2 2 286.379 0.901 20 30 CCEDLP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001270436637 813762829 /nfs/dbraw/zinc/76/28/29/813762829.db2.gz PTZOHFOMWBUWOR-ZIAGYGMSSA-N 2 2 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0.931 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001030704934 816238047 /nfs/dbraw/zinc/23/80/47/816238047.db2.gz JHBSGWGKYPKJRC-CXOJTPOUSA-N 2 2 291.395 0.226 20 30 CCEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046568362 816638881 /nfs/dbraw/zinc/63/88/81/816638881.db2.gz QLIKTJOKLKBPLB-ZBFHGGJFSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046568362 816638886 /nfs/dbraw/zinc/63/88/86/816638886.db2.gz QLIKTJOKLKBPLB-ZBFHGGJFSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046568362 816638894 /nfs/dbraw/zinc/63/88/94/816638894.db2.gz QLIKTJOKLKBPLB-ZBFHGGJFSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046568362 816638900 /nfs/dbraw/zinc/63/89/00/816638900.db2.gz QLIKTJOKLKBPLB-ZBFHGGJFSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106874614 816971535 /nfs/dbraw/zinc/97/15/35/816971535.db2.gz MNTOJDQQYWLMDU-CHWSQXEVSA-N 2 2 274.368 0.280 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815092 818041529 /nfs/dbraw/zinc/04/15/29/818041529.db2.gz ZLGQWURBRIRICC-STQMWFEESA-N 2 2 258.325 0.192 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815092 818041532 /nfs/dbraw/zinc/04/15/32/818041532.db2.gz ZLGQWURBRIRICC-STQMWFEESA-N 2 2 258.325 0.192 20 30 CCEDLP Cc1cc(C#N)cnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736339 818544792 /nfs/dbraw/zinc/54/47/92/818544792.db2.gz FZKHQMRAMOYQQP-UHFFFAOYSA-N 2 2 258.329 0.856 20 30 CCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033151105 818575803 /nfs/dbraw/zinc/57/58/03/818575803.db2.gz IFFNFSYJXDNBQI-KBPBESRZSA-N 2 2 286.379 0.926 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033151105 818575807 /nfs/dbraw/zinc/57/58/07/818575807.db2.gz IFFNFSYJXDNBQI-KBPBESRZSA-N 2 2 286.379 0.926 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001044686433 818641307 /nfs/dbraw/zinc/64/13/07/818641307.db2.gz VQCBIVSFGMXYNA-KGLIPLIRSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664010 818873827 /nfs/dbraw/zinc/87/38/27/818873827.db2.gz BGERNDSNZSDMAG-ZDUSSCGKSA-N 2 2 260.341 0.357 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033664010 818873836 /nfs/dbraw/zinc/87/38/36/818873836.db2.gz BGERNDSNZSDMAG-ZDUSSCGKSA-N 2 2 260.341 0.357 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048249 819043740 /nfs/dbraw/zinc/04/37/40/819043740.db2.gz NPKDPHGRWHGTIP-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048249 819043745 /nfs/dbraw/zinc/04/37/45/819043745.db2.gz NPKDPHGRWHGTIP-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034048249 819043748 /nfs/dbraw/zinc/04/37/48/819043748.db2.gz NPKDPHGRWHGTIP-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048249 819043752 /nfs/dbraw/zinc/04/37/52/819043752.db2.gz NPKDPHGRWHGTIP-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034139886 819084974 /nfs/dbraw/zinc/08/49/74/819084974.db2.gz WFOUPSNXWTVYAX-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034139886 819084979 /nfs/dbraw/zinc/08/49/79/819084979.db2.gz WFOUPSNXWTVYAX-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034139886 819084983 /nfs/dbraw/zinc/08/49/83/819084983.db2.gz WFOUPSNXWTVYAX-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034139886 819084987 /nfs/dbraw/zinc/08/49/87/819084987.db2.gz WFOUPSNXWTVYAX-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCOc1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702564675 819145684 /nfs/dbraw/zinc/14/56/84/819145684.db2.gz ZDZDXXFMVZTGJL-INIZCTEOSA-N 2 2 274.364 0.855 20 30 CCEDLP C#CCOc1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702564675 819145690 /nfs/dbraw/zinc/14/56/90/819145690.db2.gz ZDZDXXFMVZTGJL-INIZCTEOSA-N 2 2 274.364 0.855 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580947 819575573 /nfs/dbraw/zinc/57/55/73/819575573.db2.gz CULDZIBSNWRNKK-ZDUSSCGKSA-N 2 2 279.384 0.085 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001035580947 819575577 /nfs/dbraw/zinc/57/55/77/819575577.db2.gz CULDZIBSNWRNKK-ZDUSSCGKSA-N 2 2 279.384 0.085 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001036275990 819722925 /nfs/dbraw/zinc/72/29/25/819722925.db2.gz QGEIDNZHJSJJBF-DGCLKSJQSA-N 2 2 274.368 0.720 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090362051 820301830 /nfs/dbraw/zinc/30/18/30/820301830.db2.gz SYRNPJRPMZYBML-HIFRSBDPSA-N 2 2 298.346 0.361 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090362051 820301840 /nfs/dbraw/zinc/30/18/40/820301840.db2.gz SYRNPJRPMZYBML-HIFRSBDPSA-N 2 2 298.346 0.361 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079526733 820423527 /nfs/dbraw/zinc/42/35/27/820423527.db2.gz QMVOWUHXSZZPER-MGPQQGTHSA-N 2 2 281.400 0.330 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001079526733 820423531 /nfs/dbraw/zinc/42/35/31/820423531.db2.gz QMVOWUHXSZZPER-MGPQQGTHSA-N 2 2 281.400 0.330 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001079526733 820423534 /nfs/dbraw/zinc/42/35/34/820423534.db2.gz QMVOWUHXSZZPER-MGPQQGTHSA-N 2 2 281.400 0.330 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001079526733 820423537 /nfs/dbraw/zinc/42/35/37/820423537.db2.gz 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/nfs/dbraw/zinc/77/40/13/362774013.db2.gz SJAQCLWJGOPBRV-ZIAGYGMSSA-N 2 2 281.400 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)C2CC2)CC1 ZINC000081668296 349279399 /nfs/dbraw/zinc/27/93/99/349279399.db2.gz HEHXLRSTHDNDGF-ZDUSSCGKSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)C2CC2)CC1 ZINC000081668296 349279402 /nfs/dbraw/zinc/27/94/02/349279402.db2.gz HEHXLRSTHDNDGF-ZDUSSCGKSA-N 2 2 263.385 0.494 20 30 CCEDLP C=CC[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000154771505 350598866 /nfs/dbraw/zinc/59/88/66/350598866.db2.gz HPIRUYNATDTDBD-UHFFFAOYSA-N 2 2 261.373 0.846 20 30 CCEDLP C=CC[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000154771505 350598869 /nfs/dbraw/zinc/59/88/69/350598869.db2.gz HPIRUYNATDTDBD-UHFFFAOYSA-N 2 2 261.373 0.846 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000296168252 353934793 /nfs/dbraw/zinc/93/47/93/353934793.db2.gz BGFNGIUUWIGSOQ-ZDUSSCGKSA-N 2 2 277.372 0.526 20 30 CCEDLP C[N@H+]1CCN(C(=O)NCc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000557113820 291022871 /nfs/dbraw/zinc/02/28/71/291022871.db2.gz WMPARAOZQUZTEB-AWEZNQCLSA-N 2 2 287.367 0.343 20 30 CCEDLP Cn1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1C#N ZINC000331190927 354485599 /nfs/dbraw/zinc/48/55/99/354485599.db2.gz WRFSFVBRKKXNSJ-UHFFFAOYSA-N 2 2 276.384 0.833 20 30 CCEDLP CNC(=O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271887499 191392451 /nfs/dbraw/zinc/39/24/51/191392451.db2.gz RCCPIILFDKYXNO-UHFFFAOYSA-N 2 2 286.379 0.858 20 30 CCEDLP Cc1cc(N2CCC([NH2+]CCO)CC2)c(C#N)c[nH+]1 ZINC000425247626 235276714 /nfs/dbraw/zinc/27/67/14/235276714.db2.gz OQAAHLXLPVRPTR-UHFFFAOYSA-N 2 2 260.341 0.812 20 30 CCEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000619672799 366318382 /nfs/dbraw/zinc/31/83/82/366318382.db2.gz BAFKMRAXZIENID-PMPSAXMXSA-N 2 2 292.427 0.675 20 30 CCEDLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000619781243 366351329 /nfs/dbraw/zinc/35/13/29/366351329.db2.gz FDAFUFZOBOQSFW-OAHLLOKOSA-N 2 2 278.400 0.776 20 30 CCEDLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000619781243 366351336 /nfs/dbraw/zinc/35/13/36/366351336.db2.gz FDAFUFZOBOQSFW-OAHLLOKOSA-N 2 2 278.400 0.776 20 30 CCEDLP N#CCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611072263 363654949 /nfs/dbraw/zinc/65/49/49/363654949.db2.gz NBWXHRACLGQJIT-ZDUSSCGKSA-N 2 2 264.373 0.704 20 30 CCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440535 360309909 /nfs/dbraw/zinc/30/99/09/360309909.db2.gz DZLYEUXWWQWVAG-OLZOCXBDSA-N 2 2 282.388 0.235 20 30 CCEDLP CC[C@@](C)(C#N)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989923 361298157 /nfs/dbraw/zinc/29/81/57/361298157.db2.gz NOHQNBIVSDKVAT-AWEZNQCLSA-N 2 2 268.405 0.926 20 30 CCEDLP CC[C@@](C)(C#N)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989923 361298159 /nfs/dbraw/zinc/29/81/59/361298159.db2.gz NOHQNBIVSDKVAT-AWEZNQCLSA-N 2 2 268.405 0.926 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000598729564 361499674 /nfs/dbraw/zinc/49/96/74/361499674.db2.gz KVTMGCUWPSINJG-ZIAGYGMSSA-N 2 2 283.416 0.724 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000598729564 361499681 /nfs/dbraw/zinc/49/96/81/361499681.db2.gz KVTMGCUWPSINJG-ZIAGYGMSSA-N 2 2 283.416 0.724 20 30 CCEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719466 361495910 /nfs/dbraw/zinc/49/59/10/361495910.db2.gz IOKVFJZSGLFVRE-KGLIPLIRSA-N 2 2 283.416 0.988 20 30 CCEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719466 361495914 /nfs/dbraw/zinc/49/59/14/361495914.db2.gz IOKVFJZSGLFVRE-KGLIPLIRSA-N 2 2 283.416 0.988 20 30 CCEDLP CC#CC[NH2+]Cc1cn(CCCc2c[nH+]cn2C)nn1 ZINC000641177432 376849298 /nfs/dbraw/zinc/84/92/98/376849298.db2.gz GHAHOBCWNZOTHN-UHFFFAOYSA-N 2 2 272.356 0.757 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478899 389130781 /nfs/dbraw/zinc/13/07/81/389130781.db2.gz ADNQURVMELNUDN-VXGBXAGGSA-N 2 2 282.388 0.270 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478899 389130783 /nfs/dbraw/zinc/13/07/83/389130783.db2.gz ADNQURVMELNUDN-VXGBXAGGSA-N 2 2 282.388 0.270 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345742085 389313382 /nfs/dbraw/zinc/31/33/82/389313382.db2.gz WOXZJQHTBGIXHP-UHFFFAOYSA-N 2 2 291.355 0.601 20 30 CCEDLP N#CCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343668464 389269403 /nfs/dbraw/zinc/26/94/03/389269403.db2.gz MWGJJOYFLXJPFX-UHFFFAOYSA-N 2 2 264.373 0.530 20 30 CCEDLP CC[N@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000429675847 389763936 /nfs/dbraw/zinc/76/39/36/389763936.db2.gz ZDQWQLFXMBHFJU-UHFFFAOYSA-N 2 2 252.362 0.386 20 30 CCEDLP CC[N@@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000429675847 389763939 /nfs/dbraw/zinc/76/39/39/389763939.db2.gz ZDQWQLFXMBHFJU-UHFFFAOYSA-N 2 2 252.362 0.386 20 30 CCEDLP C[C@H]1CCC[N@H+](CCNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000583859080 390317749 /nfs/dbraw/zinc/31/77/49/390317749.db2.gz AHFLFSBSJFIYAK-LSDHHAIUSA-N 2 2 282.432 0.514 20 30 CCEDLP C[C@H]1CCC[N@@H+](CCNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000583859080 390317751 /nfs/dbraw/zinc/31/77/51/390317751.db2.gz AHFLFSBSJFIYAK-LSDHHAIUSA-N 2 2 282.432 0.514 20 30 CCEDLP C[C@H]1CCC[NH+](CCNC[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000583859080 390317753 /nfs/dbraw/zinc/31/77/53/390317753.db2.gz AHFLFSBSJFIYAK-LSDHHAIUSA-N 2 2 282.432 0.514 20 30 CCEDLP C[C@H]1CCC[NH+](CCNC[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000583859080 390317755 /nfs/dbraw/zinc/31/77/55/390317755.db2.gz AHFLFSBSJFIYAK-LSDHHAIUSA-N 2 2 282.432 0.514 20 30 CCEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)CC#N)C[C@H](C)O1 ZINC000519387341 390497360 /nfs/dbraw/zinc/49/73/60/390497360.db2.gz CQMNWRXWCGEFOE-MJBXVCDLSA-N 2 2 283.416 0.986 20 30 CCEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)CC#N)C[C@H](C)O1 ZINC000519387341 390497363 /nfs/dbraw/zinc/49/73/63/390497363.db2.gz CQMNWRXWCGEFOE-MJBXVCDLSA-N 2 2 283.416 0.986 20 30 CCEDLP C[C@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+](C)C1CC1 ZINC000567378318 390696189 /nfs/dbraw/zinc/69/61/89/390696189.db2.gz YCUDTVUGWAGABH-OCCSQVGLSA-N 2 2 268.405 0.265 20 30 CCEDLP C[C@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+](C)C1CC1 ZINC000567378318 390696192 /nfs/dbraw/zinc/69/61/92/390696192.db2.gz YCUDTVUGWAGABH-OCCSQVGLSA-N 2 2 268.405 0.265 20 30 CCEDLP C[C@H](CNC[C@H](O)C[NH+](C)CCC#N)[N@H+](C)C1CC1 ZINC000567378318 390696195 /nfs/dbraw/zinc/69/61/95/390696195.db2.gz YCUDTVUGWAGABH-OCCSQVGLSA-N 2 2 268.405 0.265 20 30 CCEDLP C[C@H](CNC[C@H](O)C[NH+](C)CCC#N)[N@@H+](C)C1CC1 ZINC000567378318 390696197 /nfs/dbraw/zinc/69/61/97/390696197.db2.gz YCUDTVUGWAGABH-OCCSQVGLSA-N 2 2 268.405 0.265 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655625 414431592 /nfs/dbraw/zinc/43/15/92/414431592.db2.gz OFXBATKJGHYBBH-AWEZNQCLSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655625 414431597 /nfs/dbraw/zinc/43/15/97/414431597.db2.gz OFXBATKJGHYBBH-AWEZNQCLSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655625 414431601 /nfs/dbraw/zinc/43/16/01/414431601.db2.gz OFXBATKJGHYBBH-AWEZNQCLSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655625 414431605 /nfs/dbraw/zinc/43/16/05/414431605.db2.gz OFXBATKJGHYBBH-AWEZNQCLSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)COC ZINC000661241507 414583888 /nfs/dbraw/zinc/58/38/88/414583888.db2.gz ZLMCIIQAAHNGER-TZMCWYRMSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H](C)COC ZINC000661241507 414583890 /nfs/dbraw/zinc/58/38/90/414583890.db2.gz ZLMCIIQAAHNGER-TZMCWYRMSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)COC ZINC000661241507 414583892 /nfs/dbraw/zinc/58/38/92/414583892.db2.gz ZLMCIIQAAHNGER-TZMCWYRMSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)COC ZINC000661241507 414583894 /nfs/dbraw/zinc/58/38/94/414583894.db2.gz ZLMCIIQAAHNGER-TZMCWYRMSA-N 2 2 256.390 0.964 20 30 CCEDLP C[NH+](C)CC(=O)N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000046063777 175391470 /nfs/dbraw/zinc/39/14/70/175391470.db2.gz BQPNQCCBTCVXEP-UHFFFAOYSA-N 2 2 286.379 0.764 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@@H]2CCCOC2)CC1 ZINC000490935303 261255743 /nfs/dbraw/zinc/25/57/43/261255743.db2.gz MDUJNRZIWXHZIG-HUUCEWRRSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126475585 328323081 /nfs/dbraw/zinc/32/30/81/328323081.db2.gz RGZKPVIUJJPWCY-AWEZNQCLSA-N 2 2 294.443 0.082 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126475585 328323082 /nfs/dbraw/zinc/32/30/82/328323082.db2.gz RGZKPVIUJJPWCY-AWEZNQCLSA-N 2 2 294.443 0.082 20 30 CCEDLP C#CCNC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126475585 328323083 /nfs/dbraw/zinc/32/30/83/328323083.db2.gz RGZKPVIUJJPWCY-AWEZNQCLSA-N 2 2 294.443 0.082 20 30 CCEDLP C#CCNC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126475585 328323084 /nfs/dbraw/zinc/32/30/84/328323084.db2.gz RGZKPVIUJJPWCY-AWEZNQCLSA-N 2 2 294.443 0.082 20 30 CCEDLP CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000584122263 327044908 /nfs/dbraw/zinc/04/49/08/327044908.db2.gz MHRTVGCGLUJYLZ-CHWSQXEVSA-N 2 2 266.389 0.821 20 30 CCEDLP C[C@H]1C[NH+]=C(NCC2([NH+]3CCOCC3)CCCCC2)N1 ZINC000262685307 330026918 /nfs/dbraw/zinc/02/69/18/330026918.db2.gz YEPZJSPBTNZQJS-ZDUSSCGKSA-N 2 2 280.416 0.959 20 30 CCEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000424138364 330276508 /nfs/dbraw/zinc/27/65/08/330276508.db2.gz QCCVCEXIWQVHQJ-ZDUSSCGKSA-N 2 2 287.367 0.751 20 30 CCEDLP C=CCn1cc(C[NH2+]C2CC[NH+](CCOC)CC2)nn1 ZINC000424296486 330336056 /nfs/dbraw/zinc/33/60/56/330336056.db2.gz OSMLXOJRBWMTJC-UHFFFAOYSA-N 2 2 279.388 0.665 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000490740620 332111273 /nfs/dbraw/zinc/11/12/73/332111273.db2.gz LZPOCAUZFXHLSV-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000490740620 332111274 /nfs/dbraw/zinc/11/12/74/332111274.db2.gz LZPOCAUZFXHLSV-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000490891778 332125221 /nfs/dbraw/zinc/12/52/21/332125221.db2.gz HFQVMJROLBHHDG-NWDGAFQWSA-N 2 2 260.341 0.347 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000490891778 332125223 /nfs/dbraw/zinc/12/52/23/332125223.db2.gz HFQVMJROLBHHDG-NWDGAFQWSA-N 2 2 260.341 0.347 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(OC)C2)CC1 ZINC000491044144 332142435 /nfs/dbraw/zinc/14/24/35/332142435.db2.gz GEOXKHLBHFNDHT-MRXNPFEDSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(OC)C2)CC1 ZINC000491044144 332142436 /nfs/dbraw/zinc/14/24/36/332142436.db2.gz GEOXKHLBHFNDHT-MRXNPFEDSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000491555561 332237448 /nfs/dbraw/zinc/23/74/48/332237448.db2.gz RQOKHDDSLCRELB-HNNXBMFYSA-N 2 2 282.347 0.551 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000491631668 332254295 /nfs/dbraw/zinc/25/42/95/332254295.db2.gz YSTJMAGQWHUGSN-HIFRSBDPSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000491631668 332254291 /nfs/dbraw/zinc/25/42/91/332254291.db2.gz YSTJMAGQWHUGSN-HIFRSBDPSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000491631668 332254292 /nfs/dbraw/zinc/25/42/92/332254292.db2.gz YSTJMAGQWHUGSN-HIFRSBDPSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000491631668 332254294 /nfs/dbraw/zinc/25/42/94/332254294.db2.gz YSTJMAGQWHUGSN-HIFRSBDPSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000245413698 334191102 /nfs/dbraw/zinc/19/11/02/334191102.db2.gz BRORUQYJYXMNSZ-ZIAGYGMSSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000245413698 334191103 /nfs/dbraw/zinc/19/11/03/334191103.db2.gz BRORUQYJYXMNSZ-ZIAGYGMSSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000245413698 334191104 /nfs/dbraw/zinc/19/11/04/334191104.db2.gz BRORUQYJYXMNSZ-ZIAGYGMSSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000245413698 334191105 /nfs/dbraw/zinc/19/11/05/334191105.db2.gz BRORUQYJYXMNSZ-ZIAGYGMSSA-N 2 2 265.401 0.788 20 30 CCEDLP C[NH+]1CCN(c2ncc(C[NH2+]CC3(C#N)CC3)cn2)CC1 ZINC000576688195 335234861 /nfs/dbraw/zinc/23/48/61/335234861.db2.gz BMSNIYYFVSHZHM-UHFFFAOYSA-N 2 2 286.383 0.622 20 30 CCEDLP C[N@@H+]1CCN(C(=O)NCC#Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000576963824 335271052 /nfs/dbraw/zinc/27/10/52/335271052.db2.gz QOEFGEYVMDWNTB-OAHLLOKOSA-N 2 2 286.379 0.322 20 30 CCEDLP C[N@H+]1CCN(C(=O)NCC#Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000576963824 335271054 /nfs/dbraw/zinc/27/10/54/335271054.db2.gz QOEFGEYVMDWNTB-OAHLLOKOSA-N 2 2 286.379 0.322 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000677905140 545376494 /nfs/dbraw/zinc/37/64/94/545376494.db2.gz SKHQGDXGDJJTSO-HOTGVXAUSA-N 2 2 279.428 0.594 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000677905140 545376495 /nfs/dbraw/zinc/37/64/95/545376495.db2.gz SKHQGDXGDJJTSO-HOTGVXAUSA-N 2 2 279.428 0.594 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000783531529 581348537 /nfs/dbraw/zinc/34/85/37/581348537.db2.gz JCHQBFZZGDULKQ-STQMWFEESA-N 2 2 274.430 0.907 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000783531529 581348538 /nfs/dbraw/zinc/34/85/38/581348538.db2.gz JCHQBFZZGDULKQ-STQMWFEESA-N 2 2 274.430 0.907 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753182474 581531081 /nfs/dbraw/zinc/53/10/81/581531081.db2.gz CADPJWCSRRSNDL-CABCVRRESA-N 2 2 298.390 0.874 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753182474 581531085 /nfs/dbraw/zinc/53/10/85/581531085.db2.gz CADPJWCSRRSNDL-CABCVRRESA-N 2 2 298.390 0.874 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000768324442 582105617 /nfs/dbraw/zinc/10/56/17/582105617.db2.gz QZOLCKUMVQVEPN-AWEZNQCLSA-N 2 2 274.368 0.829 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000768324442 582105618 /nfs/dbraw/zinc/10/56/18/582105618.db2.gz QZOLCKUMVQVEPN-AWEZNQCLSA-N 2 2 274.368 0.829 20 30 CCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)OC)n1C ZINC000894863855 613078824 /nfs/dbraw/zinc/07/88/24/613078824.db2.gz XRKOBQMGOFUIRB-UHFFFAOYSA-N 2 2 277.368 0.856 20 30 CCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)OC)n1C ZINC000894863855 613078826 /nfs/dbraw/zinc/07/88/26/613078826.db2.gz XRKOBQMGOFUIRB-UHFFFAOYSA-N 2 2 277.368 0.856 20 30 CCEDLP C#CCC[N@@H+](CCOC)C[C@H](O)C[NH+](C)C(C)C ZINC000852749443 612989338 /nfs/dbraw/zinc/98/93/38/612989338.db2.gz YGTOSVGQXWFUOS-CQSZACIVSA-N 2 2 256.390 0.659 20 30 CCEDLP C#CCC[N@H+](CCOC)C[C@H](O)C[NH+](C)C(C)C ZINC000852749443 612989339 /nfs/dbraw/zinc/98/93/39/612989339.db2.gz YGTOSVGQXWFUOS-CQSZACIVSA-N 2 2 256.390 0.659 20 30 CCEDLP C#CCC[NH+](CCOC)C[C@H](O)C[N@H+](C)C(C)C ZINC000852749443 612989341 /nfs/dbraw/zinc/98/93/41/612989341.db2.gz YGTOSVGQXWFUOS-CQSZACIVSA-N 2 2 256.390 0.659 20 30 CCEDLP C#CCC[NH+](CCOC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000852749443 612989342 /nfs/dbraw/zinc/98/93/42/612989342.db2.gz YGTOSVGQXWFUOS-CQSZACIVSA-N 2 2 256.390 0.659 20 30 CCEDLP C#CCSCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900691797 613008674 /nfs/dbraw/zinc/00/86/74/613008674.db2.gz BCCNXGQTVYUFHY-UHFFFAOYSA-N 2 2 297.468 0.837 20 30 CCEDLP C#CCSCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900691797 613008676 /nfs/dbraw/zinc/00/86/76/613008676.db2.gz BCCNXGQTVYUFHY-UHFFFAOYSA-N 2 2 297.468 0.837 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947860972 613018128 /nfs/dbraw/zinc/01/81/28/613018128.db2.gz CNDUTUVCGWNXET-CHWSQXEVSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947860972 613018131 /nfs/dbraw/zinc/01/81/31/613018131.db2.gz CNDUTUVCGWNXET-CHWSQXEVSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039579 613080635 /nfs/dbraw/zinc/08/06/35/613080635.db2.gz JOQPLBYYUOZULV-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039579 613080636 /nfs/dbraw/zinc/08/06/36/613080636.db2.gz JOQPLBYYUOZULV-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC=C)CC2)CC1 ZINC000957774100 613129084 /nfs/dbraw/zinc/12/90/84/613129084.db2.gz IHVAFLOXUHSKEP-UHFFFAOYSA-N 2 2 275.396 0.662 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000885508522 613175940 /nfs/dbraw/zinc/17/59/40/613175940.db2.gz HPSFYKHNNKHPAY-CYBMUJFWSA-N 2 2 299.440 0.098 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CC2([NH+](C)C)CC2)C1 ZINC000885508522 613175941 /nfs/dbraw/zinc/17/59/41/613175941.db2.gz HPSFYKHNNKHPAY-CYBMUJFWSA-N 2 2 299.440 0.098 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947849757 613261545 /nfs/dbraw/zinc/26/15/45/613261545.db2.gz USHVCEIQANYOJA-NEPJUHHUSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947849757 613261548 /nfs/dbraw/zinc/26/15/48/613261548.db2.gz USHVCEIQANYOJA-NEPJUHHUSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648665 613263583 /nfs/dbraw/zinc/26/35/83/613263583.db2.gz GNHKRGKVMPGCQX-KGLIPLIRSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648665 613263587 /nfs/dbraw/zinc/26/35/87/613263587.db2.gz GNHKRGKVMPGCQX-KGLIPLIRSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648665 613263588 /nfs/dbraw/zinc/26/35/88/613263588.db2.gz GNHKRGKVMPGCQX-KGLIPLIRSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982852592 613292672 /nfs/dbraw/zinc/29/26/72/613292672.db2.gz YYUHTPDCFWLYAH-IYBDPMFKSA-N 2 2 286.379 0.687 20 30 CCEDLP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000982852592 613292674 /nfs/dbraw/zinc/29/26/74/613292674.db2.gz YYUHTPDCFWLYAH-IYBDPMFKSA-N 2 2 286.379 0.687 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000900696182 613364923 /nfs/dbraw/zinc/36/49/23/613364923.db2.gz RJXUQYBCNLFESS-CQSZACIVSA-N 2 2 282.432 0.246 20 30 CCEDLP C=C(CO)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870667119 613367465 /nfs/dbraw/zinc/36/74/65/613367465.db2.gz RHODNUCVQASXMO-UHFFFAOYSA-N 2 2 276.340 0.320 20 30 CCEDLP C=CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000949840470 613508603 /nfs/dbraw/zinc/50/86/03/613508603.db2.gz FHKAMEWTRTZGJL-OAHLLOKOSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000949840470 613508606 /nfs/dbraw/zinc/50/86/06/613508606.db2.gz FHKAMEWTRTZGJL-OAHLLOKOSA-N 2 2 295.427 0.816 20 30 CCEDLP CC#CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895100268 613652656 /nfs/dbraw/zinc/65/26/56/613652656.db2.gz RIVAIQVGDJHTAY-CABCVRRESA-N 2 2 266.385 0.604 20 30 CCEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000951758191 613656038 /nfs/dbraw/zinc/65/60/38/613656038.db2.gz SBGSDNOZFCFWRV-JSGCOSHPSA-N 2 2 265.401 0.903 20 30 CCEDLP C=CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000951758191 613656040 /nfs/dbraw/zinc/65/60/40/613656040.db2.gz SBGSDNOZFCFWRV-JSGCOSHPSA-N 2 2 265.401 0.903 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865193181 613674219 /nfs/dbraw/zinc/67/42/19/613674219.db2.gz HGXDBWXTYQIIKU-ARJAWSKDSA-N 2 2 293.411 0.641 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865128 613849626 /nfs/dbraw/zinc/84/96/26/613849626.db2.gz ATKCBLPYOASHBM-HNNXBMFYSA-N 2 2 294.399 0.464 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865128 613849627 /nfs/dbraw/zinc/84/96/27/613849627.db2.gz ATKCBLPYOASHBM-HNNXBMFYSA-N 2 2 294.399 0.464 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592121 613853356 /nfs/dbraw/zinc/85/33/56/613853356.db2.gz YAFCZOFJNXDWRH-CQSZACIVSA-N 2 2 294.443 0.389 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000884033156 613877540 /nfs/dbraw/zinc/87/75/40/613877540.db2.gz JBZJVTGLGBOQOC-SRVKXCTJSA-N 2 2 283.372 0.019 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001026364106 625414127 /nfs/dbraw/zinc/41/41/27/625414127.db2.gz CFBDNJQJFWHNIW-FPMFFAJLSA-N 2 2 272.352 0.412 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]12 ZINC001026401845 625431624 /nfs/dbraw/zinc/43/16/24/625431624.db2.gz ZEUZAIHHGJJXRY-VHDGCEQUSA-N 2 2 286.379 0.422 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021076127 624656456 /nfs/dbraw/zinc/65/64/56/624656456.db2.gz UPMQEXNMCXHIAF-KKUMJFAQSA-N 2 2 293.411 0.520 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)NC[C@@]1(C)CCCO1 ZINC000261670410 624815728 /nfs/dbraw/zinc/81/57/28/624815728.db2.gz BXSFIHBPRUJVRL-CYBMUJFWSA-N 2 2 254.378 0.426 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)NC[C@H]1CCCS1 ZINC000261971667 624944296 /nfs/dbraw/zinc/94/42/96/624944296.db2.gz MXZQHYGFCJYASU-LLVKDONJSA-N 2 2 256.419 0.753 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010425045 631437180 /nfs/dbraw/zinc/43/71/80/631437180.db2.gz ABWGIFSQHRXLAY-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010425045 631437183 /nfs/dbraw/zinc/43/71/83/631437183.db2.gz ABWGIFSQHRXLAY-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010425045 631437186 /nfs/dbraw/zinc/43/71/86/631437186.db2.gz ABWGIFSQHRXLAY-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010425045 631437190 /nfs/dbraw/zinc/43/71/90/631437190.db2.gz ABWGIFSQHRXLAY-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000841119813 631590166 /nfs/dbraw/zinc/59/01/66/631590166.db2.gz COWRSHRVNWVREC-GXSJLCMTSA-N 2 2 270.296 0.567 20 30 CCEDLP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001006995214 650060826 /nfs/dbraw/zinc/06/08/26/650060826.db2.gz DCVJCZBLYWZJNC-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001006995214 650060827 /nfs/dbraw/zinc/06/08/27/650060827.db2.gz DCVJCZBLYWZJNC-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001006995214 650060829 /nfs/dbraw/zinc/06/08/29/650060829.db2.gz DCVJCZBLYWZJNC-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001006995214 650060831 /nfs/dbraw/zinc/06/08/31/650060831.db2.gz DCVJCZBLYWZJNC-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H]1C ZINC000986214330 632729754 /nfs/dbraw/zinc/72/97/54/632729754.db2.gz PEWDZBSMYYFAQV-VXGBXAGGSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992522647 637461415 /nfs/dbraw/zinc/46/14/15/637461415.db2.gz OLQREVOXEIKOPE-DZGCQCFKSA-N 2 2 272.352 0.630 20 30 CCEDLP C#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992522647 637461433 /nfs/dbraw/zinc/46/14/33/637461433.db2.gz OLQREVOXEIKOPE-DZGCQCFKSA-N 2 2 272.352 0.630 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994506650 637955144 /nfs/dbraw/zinc/95/51/44/637955144.db2.gz LNFKGAWXSFZPRS-CHWSQXEVSA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994506650 637955162 /nfs/dbraw/zinc/95/51/62/637955162.db2.gz LNFKGAWXSFZPRS-CHWSQXEVSA-N 2 2 260.341 0.485 20 30 CCEDLP N#Cc1cnn2cc(C[NH2+]CCn3cc[nH+]c3)cnc12 ZINC000917139330 637955241 /nfs/dbraw/zinc/95/52/41/637955241.db2.gz VPNGOFHQJXHPPW-UHFFFAOYSA-N 2 2 267.296 0.587 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015781134 638023974 /nfs/dbraw/zinc/02/39/74/638023974.db2.gz JDDXYRJWHNFPGA-ZDUSSCGKSA-N 2 2 274.368 0.830 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015781134 638023985 /nfs/dbraw/zinc/02/39/85/638023985.db2.gz JDDXYRJWHNFPGA-ZDUSSCGKSA-N 2 2 274.368 0.830 20 30 CCEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996461149 638819375 /nfs/dbraw/zinc/81/93/75/638819375.db2.gz MIBOZMNFZYFBTM-NSHDSACASA-N 2 2 262.357 0.965 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000999489770 638984385 /nfs/dbraw/zinc/98/43/85/638984385.db2.gz MRZJWIXNOHJGAG-CQSZACIVSA-N 2 2 287.363 0.847 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001000426650 639087742 /nfs/dbraw/zinc/08/77/42/639087742.db2.gz KBIOJGGYGCFFIR-STQMWFEESA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001000426650 639087747 /nfs/dbraw/zinc/08/77/47/639087747.db2.gz KBIOJGGYGCFFIR-STQMWFEESA-N 2 2 274.368 0.802 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014966862 650508997 /nfs/dbraw/zinc/50/89/97/650508997.db2.gz ZNEKAMQLIAYOSA-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014966862 650508999 /nfs/dbraw/zinc/50/89/99/650508999.db2.gz ZNEKAMQLIAYOSA-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014966862 650509000 /nfs/dbraw/zinc/50/90/00/650509000.db2.gz ZNEKAMQLIAYOSA-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014966862 650509003 /nfs/dbraw/zinc/50/90/03/650509003.db2.gz ZNEKAMQLIAYOSA-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001017619663 650814146 /nfs/dbraw/zinc/81/41/46/650814146.db2.gz SFFXAFREYUTSGI-GASCZTMLSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001017619663 650814149 /nfs/dbraw/zinc/81/41/49/650814149.db2.gz SFFXAFREYUTSGI-GASCZTMLSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001017619663 650814151 /nfs/dbraw/zinc/81/41/51/650814151.db2.gz SFFXAFREYUTSGI-GASCZTMLSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001017619663 650814152 /nfs/dbraw/zinc/81/41/52/650814152.db2.gz SFFXAFREYUTSGI-GASCZTMLSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001019447440 650974113 /nfs/dbraw/zinc/97/41/13/650974113.db2.gz ITZKHHQRAKQELW-OLZOCXBDSA-N 2 2 260.341 0.658 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001019493680 650977959 /nfs/dbraw/zinc/97/79/59/650977959.db2.gz JDVAQLWWXZJMQG-RYUDHWBXSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001019493680 650977961 /nfs/dbraw/zinc/97/79/61/650977961.db2.gz JDVAQLWWXZJMQG-RYUDHWBXSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001019493679 650978013 /nfs/dbraw/zinc/97/80/13/650978013.db2.gz JDVAQLWWXZJMQG-NEPJUHHUSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001019493679 650978016 /nfs/dbraw/zinc/97/80/16/650978016.db2.gz JDVAQLWWXZJMQG-NEPJUHHUSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001019722510 651000869 /nfs/dbraw/zinc/00/08/69/651000869.db2.gz CETCEGFHUKABFH-LBPRGKRZSA-N 2 2 262.357 0.729 20 30 CCEDLP [NH2+]=C(NCCCn1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC000303267890 649813603 /nfs/dbraw/zinc/81/36/03/649813603.db2.gz XYQJSQGEBHXERB-NSHDSACASA-N 2 2 251.334 0.357 20 30 CCEDLP CC(C)[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCOCC1 ZINC000303778922 649824444 /nfs/dbraw/zinc/82/44/44/649824444.db2.gz KCMQKUSSTAKNCD-ZDUSSCGKSA-N 2 2 270.421 0.822 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192687 790530175 /nfs/dbraw/zinc/53/01/75/790530175.db2.gz LMAILTFYUOITNH-SOUVJXGZSA-N 2 2 293.411 0.426 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192687 790530186 /nfs/dbraw/zinc/53/01/86/790530186.db2.gz LMAILTFYUOITNH-SOUVJXGZSA-N 2 2 293.411 0.426 20 30 CCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192687 790530201 /nfs/dbraw/zinc/53/02/01/790530201.db2.gz LMAILTFYUOITNH-SOUVJXGZSA-N 2 2 293.411 0.426 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192687 790530214 /nfs/dbraw/zinc/53/02/14/790530214.db2.gz LMAILTFYUOITNH-SOUVJXGZSA-N 2 2 293.411 0.426 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001266492639 790783763 /nfs/dbraw/zinc/78/37/63/790783763.db2.gz TXGBDHTUYYJGIB-CQSZACIVSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001266492639 790783770 /nfs/dbraw/zinc/78/37/70/790783770.db2.gz TXGBDHTUYYJGIB-CQSZACIVSA-N 2 2 274.368 0.567 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266540345 790902392 /nfs/dbraw/zinc/90/23/92/790902392.db2.gz VBYKCXBLCJKYGO-GFCCVEGCSA-N 2 2 260.341 0.414 20 30 CCEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C#N)n1 ZINC001232925986 805996756 /nfs/dbraw/zinc/99/67/56/805996756.db2.gz WANULRJWYQEUDO-UHFFFAOYSA-N 2 2 273.384 0.632 20 30 CCEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C#N)n1 ZINC001232925986 805996763 /nfs/dbraw/zinc/99/67/63/805996763.db2.gz WANULRJWYQEUDO-UHFFFAOYSA-N 2 2 273.384 0.632 20 30 CCEDLP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266838957 791280847 /nfs/dbraw/zinc/28/08/47/791280847.db2.gz FQDJNLBQJSTMBO-CHWSQXEVSA-N 2 2 274.368 0.595 20 30 CCEDLP CC#CC[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001266988310 791424292 /nfs/dbraw/zinc/42/42/92/791424292.db2.gz HJUSALPTGLRSQX-UHFFFAOYSA-N 2 2 262.357 0.759 20 30 CCEDLP CC#CC[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001267152395 791596565 /nfs/dbraw/zinc/59/65/65/791596565.db2.gz LVDNNARIGSEMKD-GFCCVEGCSA-N 2 2 262.357 0.470 20 30 CCEDLP N#Cc1ccc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1 ZINC001234989609 806335381 /nfs/dbraw/zinc/33/53/81/806335381.db2.gz PYGJYCVAOZYXAX-HNNXBMFYSA-N 2 2 272.352 0.401 20 30 CCEDLP C=CCOCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345424 800624683 /nfs/dbraw/zinc/62/46/83/800624683.db2.gz UVJIRJMKESZROA-UHFFFAOYSA-N 2 2 280.372 0.572 20 30 CCEDLP N#Cc1ccc2c(c1)CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001157936986 801532357 /nfs/dbraw/zinc/53/23/57/801532357.db2.gz LXVHFTRZLVEYOK-HNNXBMFYSA-N 2 2 295.346 0.736 20 30 CCEDLP N#Cc1cccnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258514 801608548 /nfs/dbraw/zinc/60/85/48/801608548.db2.gz BBXJADZULFENEG-ZDUSSCGKSA-N 2 2 271.368 0.955 20 30 CCEDLP N#Cc1cccnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258514 801608555 /nfs/dbraw/zinc/60/85/55/801608555.db2.gz BBXJADZULFENEG-ZDUSSCGKSA-N 2 2 271.368 0.955 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001159135769 801763099 /nfs/dbraw/zinc/76/30/99/801763099.db2.gz ZHJHKZXPKATZFL-UXLLHSPISA-N 2 2 298.390 0.607 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001159135769 801763104 /nfs/dbraw/zinc/76/31/04/801763104.db2.gz ZHJHKZXPKATZFL-UXLLHSPISA-N 2 2 298.390 0.607 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160435890 801940645 /nfs/dbraw/zinc/94/06/45/801940645.db2.gz FIILYCZTQODSDT-ZDUSSCGKSA-N 3 2 268.405 0.163 20 30 CCEDLP N#Cc1cnc(Cl)nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867179 802234552 /nfs/dbraw/zinc/23/45/52/802234552.db2.gz LQVMLMUIVVPPIJ-UHFFFAOYSA-N 2 2 280.763 0.259 20 30 CCEDLP C=CC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001276453572 803074818 /nfs/dbraw/zinc/07/48/18/803074818.db2.gz NFHYINMLBRKCAW-NSHDSACASA-N 2 2 262.357 0.585 20 30 CCEDLP C=CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206871744 803295201 /nfs/dbraw/zinc/29/52/01/803295201.db2.gz YTHBYMKZOXBJBC-UHFFFAOYSA-N 2 2 276.384 0.977 20 30 CCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccsc1C#N ZINC001218624004 804041540 /nfs/dbraw/zinc/04/15/40/804041540.db2.gz FRZJOIWFJRCWAI-VIFPVBQESA-N 2 2 275.337 0.862 20 30 CCEDLP N#Cc1cccc2[nH]nc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)c21 ZINC001218656073 804066020 /nfs/dbraw/zinc/06/60/20/804066020.db2.gz BVYJWKKDGSVXEP-FCHSOHFDSA-N 2 2 296.334 0.595 20 30 CCEDLP COc1ccc(C#N)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218978927 804172537 /nfs/dbraw/zinc/17/25/37/804172537.db2.gz GFFLHPRSSPITBD-UHFFFAOYSA-N 2 2 288.351 0.847 20 30 CCEDLP COc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218979271 804173143 /nfs/dbraw/zinc/17/31/43/804173143.db2.gz JEMORVSSUOWJCO-NSHDSACASA-N 2 2 285.307 0.798 20 30 CCEDLP N#CCc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)ccc1F ZINC001219518253 804333353 /nfs/dbraw/zinc/33/33/53/804333353.db2.gz CWPPCXLNXRAZKX-UHFFFAOYSA-N 2 2 276.315 0.911 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC001219940622 804453495 /nfs/dbraw/zinc/45/34/95/804453495.db2.gz AEZCPTIOYMBXQT-HNNXBMFYSA-N 2 2 293.411 0.488 20 30 CCEDLP CC(C)(NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccc(C#N)cc1 ZINC001219988447 804465920 /nfs/dbraw/zinc/46/59/20/804465920.db2.gz XFISNXBHHITBTQ-WMLDXEAASA-N 2 2 298.390 0.861 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C)[C@@H]1C ZINC001088630830 815043335 /nfs/dbraw/zinc/04/33/35/815043335.db2.gz CGWYDFIKHGHYFL-ILXRZTDVSA-N 2 2 275.396 0.849 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C)[C@@H]1C ZINC001088630830 815043341 /nfs/dbraw/zinc/04/33/41/815043341.db2.gz CGWYDFIKHGHYFL-ILXRZTDVSA-N 2 2 275.396 0.849 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C)[C@@H]1C ZINC001088630830 815043348 /nfs/dbraw/zinc/04/33/48/815043348.db2.gz CGWYDFIKHGHYFL-ILXRZTDVSA-N 2 2 275.396 0.849 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C)[C@@H]1C ZINC001088630830 815043353 /nfs/dbraw/zinc/04/33/53/815043353.db2.gz CGWYDFIKHGHYFL-ILXRZTDVSA-N 2 2 275.396 0.849 20 30 CCEDLP C#CCC[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228407932 805443745 /nfs/dbraw/zinc/44/37/45/805443745.db2.gz KLKGEWPPVYRRDK-UHFFFAOYSA-N 2 2 288.395 0.957 20 30 CCEDLP C=CCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252619059 807920639 /nfs/dbraw/zinc/92/06/39/807920639.db2.gz ANNUEDFIOKXBMX-CYBMUJFWSA-N 2 2 280.372 0.375 20 30 CCEDLP C=CCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252619059 807920647 /nfs/dbraw/zinc/92/06/47/807920647.db2.gz ANNUEDFIOKXBMX-CYBMUJFWSA-N 2 2 280.372 0.375 20 30 CCEDLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(C#N)nc1 ZINC001253211864 808034465 /nfs/dbraw/zinc/03/44/65/808034465.db2.gz BMYQLXIESFNGPY-AWEZNQCLSA-N 2 2 262.357 0.746 20 30 CCEDLP C#CCCN1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)C1=O ZINC001253213669 808036974 /nfs/dbraw/zinc/03/69/74/808036974.db2.gz NQBQPWPAVYVEGO-CABCVRRESA-N 2 2 295.427 0.293 20 30 CCEDLP C#CCCN1CCC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001253408248 808061736 /nfs/dbraw/zinc/06/17/36/808061736.db2.gz ADOPFYQRIIYSEE-KBPBESRZSA-N 2 2 295.427 0.339 20 30 CCEDLP C#CCCN1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1=O ZINC001256198576 808477596 /nfs/dbraw/zinc/47/75/96/808477596.db2.gz OHUVXBLOMVZASF-CQSZACIVSA-N 2 2 263.385 0.685 20 30 CCEDLP N#C[C@@H]1C[NH2+]CCN1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256856584 808565274 /nfs/dbraw/zinc/56/52/74/808565274.db2.gz LCODUQCRQHRPAB-OAHLLOKOSA-N 2 2 271.368 0.848 20 30 CCEDLP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001265359620 809763680 /nfs/dbraw/zinc/76/36/80/809763680.db2.gz ACLKTJNCOXFXHL-UONOGXRCSA-N 2 2 286.379 0.563 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266031631 809922160 /nfs/dbraw/zinc/92/21/60/809922160.db2.gz HJSGDWICSFYYJC-ZDUSSCGKSA-N 2 2 274.368 0.722 20 30 CCEDLP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001279746306 811636391 /nfs/dbraw/zinc/63/63/91/811636391.db2.gz KVKYWHZFZQEKDJ-CYBMUJFWSA-N 2 2 292.383 0.042 20 30 CCEDLP C#CC[NH+]1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267701019 811666374 /nfs/dbraw/zinc/66/63/74/811666374.db2.gz LZGHUHWRIYVLAS-MRXNPFEDSA-N 2 2 285.391 0.971 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001268031081 812037311 /nfs/dbraw/zinc/03/73/11/812037311.db2.gz ZHRXPCRNDXCMLJ-AWEZNQCLSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001268031081 812037321 /nfs/dbraw/zinc/03/73/21/812037321.db2.gz ZHRXPCRNDXCMLJ-AWEZNQCLSA-N 2 2 283.416 0.721 20 30 CCEDLP C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268239267 812405772 /nfs/dbraw/zinc/40/57/72/812405772.db2.gz AIMOATRMZRPQDW-ZDUSSCGKSA-N 2 2 274.368 0.469 20 30 CCEDLP C#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268239267 812405776 /nfs/dbraw/zinc/40/57/76/812405776.db2.gz AIMOATRMZRPQDW-ZDUSSCGKSA-N 2 2 274.368 0.469 20 30 CCEDLP C#CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001269134463 813233285 /nfs/dbraw/zinc/23/32/85/813233285.db2.gz BMTDAWGEILUICX-ZDUSSCGKSA-N 2 2 260.341 0.080 20 30 CCEDLP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001269273111 813300849 /nfs/dbraw/zinc/30/08/49/813300849.db2.gz RJSGHQZZQMNHSY-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001269273111 813300854 /nfs/dbraw/zinc/30/08/54/813300854.db2.gz RJSGHQZZQMNHSY-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001269273111 813300860 /nfs/dbraw/zinc/30/08/60/813300860.db2.gz RJSGHQZZQMNHSY-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001269273111 813300865 /nfs/dbraw/zinc/30/08/65/813300865.db2.gz RJSGHQZZQMNHSY-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[N@H+]1CC[C@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001271160505 814252892 /nfs/dbraw/zinc/25/28/92/814252892.db2.gz ULADSSFPCHWLKG-INIZCTEOSA-N 2 2 298.346 0.363 20 30 CCEDLP C#CC[N@@H+]1CC[C@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001271160505 814252897 /nfs/dbraw/zinc/25/28/97/814252897.db2.gz ULADSSFPCHWLKG-INIZCTEOSA-N 2 2 298.346 0.363 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001088059130 814325635 /nfs/dbraw/zinc/32/56/35/814325635.db2.gz KHYYEBLDVVGUMQ-CABCVRRESA-N 2 2 286.379 0.687 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001088059130 814325645 /nfs/dbraw/zinc/32/56/45/814325645.db2.gz KHYYEBLDVVGUMQ-CABCVRRESA-N 2 2 286.379 0.687 20 30 CCEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001280416668 814519865 /nfs/dbraw/zinc/51/98/65/814519865.db2.gz YUYFIFFFEOZFDZ-HUUCEWRRSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001280416668 814519870 /nfs/dbraw/zinc/51/98/70/814519870.db2.gz YUYFIFFFEOZFDZ-HUUCEWRRSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001280416668 814519874 /nfs/dbraw/zinc/51/98/74/814519874.db2.gz YUYFIFFFEOZFDZ-HUUCEWRRSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001280416668 814519879 /nfs/dbraw/zinc/51/98/79/814519879.db2.gz YUYFIFFFEOZFDZ-HUUCEWRRSA-N 2 2 295.427 0.721 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001030031462 815659382 /nfs/dbraw/zinc/65/93/82/815659382.db2.gz LUEMARSFZRTSCD-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC001030031462 815659385 /nfs/dbraw/zinc/65/93/85/815659385.db2.gz LUEMARSFZRTSCD-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](C)O)C1 ZINC001030031462 815659389 /nfs/dbraw/zinc/65/93/89/815659389.db2.gz LUEMARSFZRTSCD-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](C)O)C1 ZINC001030031462 815659390 /nfs/dbraw/zinc/65/93/90/815659390.db2.gz LUEMARSFZRTSCD-ILXRZTDVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC(C)C)C1 ZINC001030462943 816050395 /nfs/dbraw/zinc/05/03/95/816050395.db2.gz AOYFVLMJZKULMA-AWEZNQCLSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC(C)C)C1 ZINC001030462943 816050401 /nfs/dbraw/zinc/05/04/01/816050401.db2.gz AOYFVLMJZKULMA-AWEZNQCLSA-N 2 2 263.385 0.540 20 30 CCEDLP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001272452843 816442568 /nfs/dbraw/zinc/44/25/68/816442568.db2.gz JQJWDJXTFWSGFG-GXTWGEPZSA-N 2 2 292.383 0.088 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212199301 816636046 /nfs/dbraw/zinc/63/60/46/816636046.db2.gz UENMKKSYRSBGOB-CHWSQXEVSA-N 2 2 292.383 0.734 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212199301 816636050 /nfs/dbraw/zinc/63/60/50/816636050.db2.gz UENMKKSYRSBGOB-CHWSQXEVSA-N 2 2 292.383 0.734 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800749 816920392 /nfs/dbraw/zinc/92/03/92/816920392.db2.gz JENQASBPIRGCAT-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031768625 817351646 /nfs/dbraw/zinc/35/16/46/817351646.db2.gz JVYJVXXFMRGWMB-UHFFFAOYSA-N 2 2 268.320 0.858 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127771911 817851479 /nfs/dbraw/zinc/85/14/79/817851479.db2.gz AFWOCYSLDSPGRT-AWEZNQCLSA-N 2 2 289.383 0.519 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127771911 817851489 /nfs/dbraw/zinc/85/14/89/817851489.db2.gz AFWOCYSLDSPGRT-AWEZNQCLSA-N 2 2 289.383 0.519 20 30 CCEDLP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032332381 817884916 /nfs/dbraw/zinc/88/49/16/817884916.db2.gz UHKRCZQFLCWBQW-KKUMJFAQSA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032332381 817884926 /nfs/dbraw/zinc/88/49/26/817884926.db2.gz UHKRCZQFLCWBQW-KKUMJFAQSA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032332381 817884930 /nfs/dbraw/zinc/88/49/30/817884930.db2.gz UHKRCZQFLCWBQW-KKUMJFAQSA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032332381 817884937 /nfs/dbraw/zinc/88/49/37/817884937.db2.gz UHKRCZQFLCWBQW-KKUMJFAQSA-N 2 2 293.411 0.568 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001078793753 818054239 /nfs/dbraw/zinc/05/42/39/818054239.db2.gz BCXPMPNEBLZWBC-UONOGXRCSA-N 2 2 286.379 0.911 20 30 CCEDLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(OCC#N)cn2)CC1 ZINC001168736459 818548080 /nfs/dbraw/zinc/54/80/80/818548080.db2.gz MSNLRTNHJFHGQH-UHFFFAOYSA-N 2 2 274.328 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2 2 261.369 0.389 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C1CCC1 ZINC001032447465 897574885 /nfs/dbraw/zinc/57/48/85/897574885.db2.gz LYAWHPRYBLVTEU-KBPBESRZSA-N 2 2 261.369 0.389 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1 ZINC001032447465 897574902 /nfs/dbraw/zinc/57/49/02/897574902.db2.gz LYAWHPRYBLVTEU-KBPBESRZSA-N 2 2 261.369 0.389 20 30 CCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001486091070 898650716 /nfs/dbraw/zinc/65/07/16/898650716.db2.gz PSYCGKONQOQSLP-QWHCGFSZSA-N 2 2 292.383 0.734 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001491273911 903477114 /nfs/dbraw/zinc/47/71/14/903477114.db2.gz NLSFCKYHYHQWIN-OAHLLOKOSA-N 2 2 288.395 0.957 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001491508037 903627941 /nfs/dbraw/zinc/62/79/41/903627941.db2.gz NAFMEINRLMPOFZ-QWHCGFSZSA-N 2 2 274.368 0.563 20 30 CCEDLP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001282412353 904469194 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0.820 20 30 CCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC001337650777 921281228 /nfs/dbraw/zinc/28/12/28/921281228.db2.gz IKMAHGMKGTWIIS-AWEZNQCLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC001337650777 921281231 /nfs/dbraw/zinc/28/12/31/921281231.db2.gz IKMAHGMKGTWIIS-AWEZNQCLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC001337650777 921281235 /nfs/dbraw/zinc/28/12/35/921281235.db2.gz IKMAHGMKGTWIIS-AWEZNQCLSA-N 2 2 292.427 0.820 20 30 CCEDLP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001491888578 907625105 /nfs/dbraw/zinc/62/51/05/907625105.db2.gz HZJKLUTUTXBPLN-QWHCGFSZSA-N 2 2 274.368 0.993 20 30 CCEDLP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317176105 909029784 /nfs/dbraw/zinc/02/97/84/909029784.db2.gz JQXCJZHYEPOJOL-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317176105 909029800 /nfs/dbraw/zinc/02/98/00/909029800.db2.gz JQXCJZHYEPOJOL-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#CCOC ZINC001318590763 909829199 /nfs/dbraw/zinc/82/91/99/909829199.db2.gz ILBRZJKGVJBARY-GFCCVEGCSA-N 2 2 278.356 0.086 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001319329654 910100599 /nfs/dbraw/zinc/10/05/99/910100599.db2.gz DSBOMTAAZXKNKW-UONOGXRCSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001319329654 910100604 /nfs/dbraw/zinc/10/06/04/910100604.db2.gz DSBOMTAAZXKNKW-UONOGXRCSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001319329655 910101153 /nfs/dbraw/zinc/10/11/53/910101153.db2.gz DSBOMTAAZXKNKW-ZIAGYGMSSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001319329655 910101161 /nfs/dbraw/zinc/10/11/61/910101161.db2.gz DSBOMTAAZXKNKW-ZIAGYGMSSA-N 2 2 283.416 0.720 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001320163655 910484976 /nfs/dbraw/zinc/48/49/76/910484976.db2.gz JTSVPSFFOAYUGY-JSGCOSHPSA-N 2 2 274.368 0.850 20 30 CCEDLP C[C@@H](CO)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322339323 911768676 /nfs/dbraw/zinc/76/86/76/911768676.db2.gz OMESHTORLXWNJM-LBPRGKRZSA-N 2 2 294.374 0.882 20 30 CCEDLP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392607499 911981698 /nfs/dbraw/zinc/98/16/98/911981698.db2.gz GNIWDONGTCTUGA-JTQLQIEISA-N 2 2 270.764 0.809 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313334792 260285285 /nfs/dbraw/zinc/28/52/85/260285285.db2.gz BAILFVKBDVTRDR-ZDUSSCGKSA-N 2 2 267.373 0.237 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313334792 260285287 /nfs/dbraw/zinc/28/52/87/260285287.db2.gz BAILFVKBDVTRDR-ZDUSSCGKSA-N 2 2 267.373 0.237 20 30 CCEDLP Cn1c[nH+]cc1CC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000602797436 362806792 /nfs/dbraw/zinc/80/67/92/362806792.db2.gz WQANJFSASHQUGH-UHFFFAOYSA-N 2 2 287.371 0.535 20 30 CCEDLP Cn1c[nH+]cc1CC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000602797436 362806797 /nfs/dbraw/zinc/80/67/97/362806797.db2.gz WQANJFSASHQUGH-UHFFFAOYSA-N 2 2 287.371 0.535 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+](CC=C)CC=C)CC1 ZINC000081672305 349280049 /nfs/dbraw/zinc/28/00/49/349280049.db2.gz GFUGSFCTWVGBTN-UHFFFAOYSA-N 2 2 261.369 0.438 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000173173705 351029633 /nfs/dbraw/zinc/02/96/33/351029633.db2.gz UWZRBLPMYCUGSC-UHFFFAOYSA-N 2 2 263.385 0.496 20 30 CCEDLP C=CCC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000186064099 351474912 /nfs/dbraw/zinc/47/49/12/351474912.db2.gz IZOPVUVYZRIMFJ-GJZGRUSLSA-N 2 2 295.427 0.864 20 30 CCEDLP N#Cc1cccc(CNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603909644 363171211 /nfs/dbraw/zinc/17/12/11/363171211.db2.gz GWQJBIPFHJWNTF-GASCZTMLSA-N 2 2 284.363 0.326 20 30 CCEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603909644 363171215 /nfs/dbraw/zinc/17/12/15/363171215.db2.gz GWQJBIPFHJWNTF-GASCZTMLSA-N 2 2 284.363 0.326 20 30 CCEDLP C[C@@H](C#N)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354970148 356540394 /nfs/dbraw/zinc/54/03/94/356540394.db2.gz BGZHVLMVQOMOBP-QWHCGFSZSA-N 2 2 278.400 0.773 20 30 CCEDLP C[C@@H](C#N)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354970148 356540395 /nfs/dbraw/zinc/54/03/95/356540395.db2.gz BGZHVLMVQOMOBP-QWHCGFSZSA-N 2 2 278.400 0.773 20 30 CCEDLP C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000609921547 363529049 /nfs/dbraw/zinc/52/90/49/363529049.db2.gz KTRUJWRYLBVASU-RYUDHWBXSA-N 2 2 264.373 0.431 20 30 CCEDLP C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000609921547 363529052 /nfs/dbraw/zinc/52/90/52/363529052.db2.gz KTRUJWRYLBVASU-RYUDHWBXSA-N 2 2 264.373 0.431 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366482453 357217101 /nfs/dbraw/zinc/21/71/01/357217101.db2.gz NAMCRXZVIGEVKP-HIFRSBDPSA-N 2 2 278.400 0.775 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366482453 357217106 /nfs/dbraw/zinc/21/71/06/357217106.db2.gz NAMCRXZVIGEVKP-HIFRSBDPSA-N 2 2 278.400 0.775 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366482453 357217110 /nfs/dbraw/zinc/21/71/10/357217110.db2.gz NAMCRXZVIGEVKP-HIFRSBDPSA-N 2 2 278.400 0.775 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366482453 357217112 /nfs/dbraw/zinc/21/71/12/357217112.db2.gz NAMCRXZVIGEVKP-HIFRSBDPSA-N 2 2 278.400 0.775 20 30 CCEDLP C[NH+](C)C1(CNC[C@@H](O)C[N@H+](C)CCC#N)CCC1 ZINC000591762646 359655185 /nfs/dbraw/zinc/65/51/85/359655185.db2.gz PHKDGYVPDJWZME-CYBMUJFWSA-N 2 2 268.405 0.267 20 30 CCEDLP C[NH+](C)C1(CNC[C@@H](O)C[N@@H+](C)CCC#N)CCC1 ZINC000591762646 359655188 /nfs/dbraw/zinc/65/51/88/359655188.db2.gz PHKDGYVPDJWZME-CYBMUJFWSA-N 2 2 268.405 0.267 20 30 CCEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000611386498 363712399 /nfs/dbraw/zinc/71/23/99/363712399.db2.gz LGYWTEHFHRZHPZ-ZDUSSCGKSA-N 2 2 286.379 0.983 20 30 CCEDLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435728 360304369 /nfs/dbraw/zinc/30/43/69/360304369.db2.gz JJWWNBXNELWJMI-CYBMUJFWSA-N 2 2 282.388 0.188 20 30 CCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437849 360307158 /nfs/dbraw/zinc/30/71/58/360307158.db2.gz LANSSUNIWQAEKN-CYBMUJFWSA-N 2 2 296.415 0.625 20 30 CCEDLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437849 360307164 /nfs/dbraw/zinc/30/71/64/360307164.db2.gz LANSSUNIWQAEKN-CYBMUJFWSA-N 2 2 296.415 0.625 20 30 CCEDLP C=CCCn1cc(C[N@H+](C)CCN2CC[NH2+]CC2)nn1 ZINC000655936791 412707290 /nfs/dbraw/zinc/70/72/90/412707290.db2.gz OZWQFFWQRAZZAY-UHFFFAOYSA-N 2 2 278.404 0.191 20 30 CCEDLP C=CCCn1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)nn1 ZINC000655936791 412707294 /nfs/dbraw/zinc/70/72/94/412707294.db2.gz OZWQFFWQRAZZAY-UHFFFAOYSA-N 2 2 278.404 0.191 20 30 CCEDLP C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C[NH+]1CCOCC1 ZINC000598721512 361495831 /nfs/dbraw/zinc/49/58/31/361495831.db2.gz VASRCBNFMWSQPG-KGLIPLIRSA-N 2 2 283.416 0.845 20 30 CCEDLP C=CC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000625704912 368299930 /nfs/dbraw/zinc/29/99/30/368299930.db2.gz VSBSONBFTILTLR-CYBMUJFWSA-N 2 2 251.374 0.658 20 30 CCEDLP C=CC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000625704912 368299934 /nfs/dbraw/zinc/29/99/34/368299934.db2.gz VSBSONBFTILTLR-CYBMUJFWSA-N 2 2 251.374 0.658 20 30 CCEDLP N#Cc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264540749 190117224 /nfs/dbraw/zinc/11/72/24/190117224.db2.gz APAZPKFUBRMDPT-HNNXBMFYSA-N 2 2 286.379 0.988 20 30 CCEDLP N#Cc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000264540749 190117225 /nfs/dbraw/zinc/11/72/25/190117225.db2.gz APAZPKFUBRMDPT-HNNXBMFYSA-N 2 2 286.379 0.988 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000266125601 190232482 /nfs/dbraw/zinc/23/24/82/190232482.db2.gz PWZAAPGSXZNXBL-LLVKDONJSA-N 2 2 282.388 0.461 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266926020 190291064 /nfs/dbraw/zinc/29/10/64/190291064.db2.gz NINZSKQQVSSNOD-RYUDHWBXSA-N 2 2 260.341 0.727 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266926020 190291065 /nfs/dbraw/zinc/29/10/65/190291065.db2.gz NINZSKQQVSSNOD-RYUDHWBXSA-N 2 2 260.341 0.727 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)CSCC[NH+](C)C)CC1 ZINC000109151521 389100325 /nfs/dbraw/zinc/10/03/25/389100325.db2.gz YUMLBHWZWISJEO-UHFFFAOYSA-N 2 2 269.414 0.059 20 30 CCEDLP C=CCOCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000338999108 389120770 /nfs/dbraw/zinc/12/07/70/389120770.db2.gz VMRYIYQMXJIXNT-UHFFFAOYSA-N 2 2 250.346 0.730 20 30 CCEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000359952952 389186773 /nfs/dbraw/zinc/18/67/73/389186773.db2.gz ROHMAYSOADVNQI-LBPRGKRZSA-N 2 2 266.389 0.821 20 30 CCEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000329801954 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N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000424134932 330268044 /nfs/dbraw/zinc/26/80/44/330268044.db2.gz OMEOGDTULOIUOL-ZIAGYGMSSA-N 2 2 294.399 0.331 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CCC)CC1 ZINC000490739919 332110517 /nfs/dbraw/zinc/11/05/17/332110517.db2.gz HTZYESLPJNTCQY-UHFFFAOYSA-N 2 2 251.374 0.496 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CCC)CC1 ZINC000490739919 332110518 /nfs/dbraw/zinc/11/05/18/332110518.db2.gz HTZYESLPJNTCQY-UHFFFAOYSA-N 2 2 251.374 0.496 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H](C)[C@H]2C)CC1 ZINC000490760467 332112926 /nfs/dbraw/zinc/11/29/26/332112926.db2.gz LVIUOUBJLACKQG-ZIAGYGMSSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H](C)[C@H]2C)CC1 ZINC000490760467 332112928 /nfs/dbraw/zinc/11/29/28/332112928.db2.gz LVIUOUBJLACKQG-ZIAGYGMSSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000490924633 332129952 /nfs/dbraw/zinc/12/99/52/332129952.db2.gz 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/nfs/dbraw/zinc/94/54/46/650945446.db2.gz LEIKIQBGIVNHGO-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH+]1CCC(N(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001006349003 647574884 /nfs/dbraw/zinc/57/48/84/647574884.db2.gz WIHVPMWFIKCMHI-UHFFFAOYSA-N 2 2 274.368 0.817 20 30 CCEDLP CC1CCN(C(=[NH2+])NCC[N@@H+]2CCCOCC2)CC1 ZINC000187844101 649336665 /nfs/dbraw/zinc/33/66/65/649336665.db2.gz VWQBFBYDFROMPQ-UHFFFAOYSA-N 2 2 268.405 0.755 20 30 CCEDLP CC1CCN(C(=[NH2+])NCC[N@H+]2CCCOCC2)CC1 ZINC000187844101 649336669 /nfs/dbraw/zinc/33/66/69/649336669.db2.gz VWQBFBYDFROMPQ-UHFFFAOYSA-N 2 2 268.405 0.755 20 30 CCEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000303789944 649825172 /nfs/dbraw/zinc/82/51/72/649825172.db2.gz VXZPLZZMNFDUQD-OLZOCXBDSA-N 2 2 286.420 0.282 20 30 CCEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266249378 790323119 /nfs/dbraw/zinc/32/31/19/790323119.db2.gz XHHFRCIEZGDDCL-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266249378 790323123 /nfs/dbraw/zinc/32/31/23/790323123.db2.gz XHHFRCIEZGDDCL-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP CC[N@H+](CC[NH3+])C[C@H](O)COc1ccccc1C#N ZINC000402123736 790409901 /nfs/dbraw/zinc/40/99/01/790409901.db2.gz CBOJCSDPQJAKBR-ZDUSSCGKSA-N 2 2 263.341 0.579 20 30 CCEDLP CC[N@@H+](CC[NH3+])C[C@H](O)COc1ccccc1C#N ZINC000402123736 790409909 /nfs/dbraw/zinc/40/99/09/790409909.db2.gz CBOJCSDPQJAKBR-ZDUSSCGKSA-N 2 2 263.341 0.579 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266634836 791062776 /nfs/dbraw/zinc/06/27/76/791062776.db2.gz HSWKRUIAFVMFMD-HAQNSBGRSA-N 2 2 260.341 0.223 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001121998441 799118264 /nfs/dbraw/zinc/11/82/64/799118264.db2.gz ZEQOQLGNDJSJBN-IHRRRGAJSA-N 2 2 283.416 0.895 20 30 CCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001278164352 806735464 /nfs/dbraw/zinc/73/54/64/806735464.db2.gz CPTYEGJCBADWDU-WCQYABFASA-N 2 2 280.372 0.231 20 30 CCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001278164352 806735472 /nfs/dbraw/zinc/73/54/72/806735472.db2.gz CPTYEGJCBADWDU-WCQYABFASA-N 2 2 280.372 0.231 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C12CCC2 ZINC001202857209 799748039 /nfs/dbraw/zinc/74/80/39/799748039.db2.gz PKPDWXQKYUMFOE-STQMWFEESA-N 2 2 286.379 0.993 20 30 CCEDLP C=CCC[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495619 800635753 /nfs/dbraw/zinc/63/57/53/800635753.db2.gz LHTDYHUPPUPBQV-GFCCVEGCSA-N 2 2 250.346 0.944 20 30 CCEDLP Cc1cnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c(C#N)n1 ZINC001155378333 800961940 /nfs/dbraw/zinc/96/19/40/800961940.db2.gz XYNBZFSQWTUREP-CYBMUJFWSA-N 2 2 286.383 0.516 20 30 CCEDLP N#CCCN(Cc1cccnc1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157720291 801463108 /nfs/dbraw/zinc/46/31/08/801463108.db2.gz FMOVGPZRPXJDNW-HOCLYGCPSA-N 2 2 299.378 0.275 20 30 CCEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533880 801662453 /nfs/dbraw/zinc/66/24/53/801662453.db2.gz JUWWJRARWGAESK-CQSZACIVSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533880 801662454 /nfs/dbraw/zinc/66/24/54/801662454.db2.gz JUWWJRARWGAESK-CQSZACIVSA-N 2 2 274.368 0.898 20 30 CCEDLP N#Cc1cnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c(F)c1 ZINC001160514385 801957489 /nfs/dbraw/zinc/95/74/89/801957489.db2.gz WFDZTEFUWYJIQQ-AWEZNQCLSA-N 2 2 275.331 0.927 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203532031 803033019 /nfs/dbraw/zinc/03/30/19/803033019.db2.gz YWFQUICXOIVHQI-STQMWFEESA-N 2 2 286.379 0.993 20 30 CCEDLP C=CCN(CC=C)CC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001208129847 803493905 /nfs/dbraw/zinc/49/39/05/803493905.db2.gz KDJCOVXOBWCHGT-UHFFFAOYSA-N 2 2 280.460 0.840 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208247486 803500097 /nfs/dbraw/zinc/50/00/97/803500097.db2.gz JRCBSJGMVQUSTD-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208247486 803500102 /nfs/dbraw/zinc/50/01/02/803500102.db2.gz JRCBSJGMVQUSTD-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210668894 803657264 /nfs/dbraw/zinc/65/72/64/803657264.db2.gz RILHMHWCNRQZNI-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000402282766 803819471 /nfs/dbraw/zinc/81/94/71/803819471.db2.gz VCGIISHVQZIVTQ-YPMHNXCESA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000402282766 803819479 /nfs/dbraw/zinc/81/94/79/803819479.db2.gz VCGIISHVQZIVTQ-YPMHNXCESA-N 2 2 263.341 0.577 20 30 CCEDLP CC(C)(C#N)c1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001218582038 804020399 /nfs/dbraw/zinc/02/03/99/804020399.db2.gz RTIXEJPXKFYUSM-UHFFFAOYSA-N 2 2 287.367 0.902 20 30 CCEDLP COc1ccc(C#N)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218979430 804173682 /nfs/dbraw/zinc/17/36/82/804173682.db2.gz LKTLWRFZLWOASH-HFAKWTLXSA-N 2 2 286.335 0.727 20 30 CCEDLP N#Cc1cc(N)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1C#N ZINC001218986774 804175213 /nfs/dbraw/zinc/17/52/13/804175213.db2.gz DCRNRIWBFQHGMH-UHFFFAOYSA-N 2 2 298.350 0.292 20 30 CCEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH3+] ZINC001219870687 804435613 /nfs/dbraw/zinc/43/56/13/804435613.db2.gz PRXGFZNOYAEXKT-OAHLLOKOSA-N 2 2 286.379 0.988 20 30 CCEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH3+] ZINC001219870687 804435617 /nfs/dbraw/zinc/43/56/17/804435617.db2.gz PRXGFZNOYAEXKT-OAHLLOKOSA-N 2 2 286.379 0.988 20 30 CCEDLP CC1(C)CC(=O)C=C(NC(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001220414316 804598835 /nfs/dbraw/zinc/59/88/35/804598835.db2.gz YVBRHDIIBZLFNC-UHFFFAOYSA-N 2 2 265.357 0.457 20 30 CCEDLP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220596898 804634896 /nfs/dbraw/zinc/63/48/96/804634896.db2.gz MOKNFYNKJVGXBZ-MELADBBJSA-N 2 2 270.336 0.208 20 30 CCEDLP C=CCOc1ccccc1[C@@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220663699 804645558 /nfs/dbraw/zinc/64/55/58/804645558.db2.gz LKSRHSKRMDXPNN-XBFCOCLRSA-N 2 2 289.379 0.975 20 30 CCEDLP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278377033 807051563 /nfs/dbraw/zinc/05/15/63/807051563.db2.gz CEQCMUMLHTVNDT-TZMCWYRMSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278377033 807051566 /nfs/dbraw/zinc/05/15/66/807051566.db2.gz CEQCMUMLHTVNDT-TZMCWYRMSA-N 2 2 274.368 0.945 20 30 CCEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246307443 807216635 /nfs/dbraw/zinc/21/66/35/807216635.db2.gz MONJHZYHNGMTBH-KCPJHIHWSA-N 2 2 259.353 0.659 20 30 CCEDLP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001278578390 807604127 /nfs/dbraw/zinc/60/41/27/807604127.db2.gz YOEBQEXEBOIQAP-MRXNPFEDSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CCOC[C@@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001251906977 807744900 /nfs/dbraw/zinc/74/49/00/807744900.db2.gz RVVRQLKWADUPRO-LBPRGKRZSA-N 2 2 250.298 0.061 20 30 CCEDLP C=CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252462652 807874705 /nfs/dbraw/zinc/87/47/05/807874705.db2.gz IQDOBQPELFNPIA-RRFJBIMHSA-N 2 2 284.400 0.202 20 30 CCEDLP C=CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252462652 807874711 /nfs/dbraw/zinc/87/47/11/807874711.db2.gz IQDOBQPELFNPIA-RRFJBIMHSA-N 2 2 284.400 0.202 20 30 CCEDLP C=CCOC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252462652 807874719 /nfs/dbraw/zinc/87/47/19/807874719.db2.gz IQDOBQPELFNPIA-RRFJBIMHSA-N 2 2 284.400 0.202 20 30 CCEDLP C=CCOC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252462652 807874727 /nfs/dbraw/zinc/87/47/27/807874727.db2.gz IQDOBQPELFNPIA-RRFJBIMHSA-N 2 2 284.400 0.202 20 30 CCEDLP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252597773 807916855 /nfs/dbraw/zinc/91/68/55/807916855.db2.gz DBQLHDGQRZEKOB-SOUVJXGZSA-N 2 2 268.401 0.966 20 30 CCEDLP C=CCC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252597773 807916859 /nfs/dbraw/zinc/91/68/59/807916859.db2.gz DBQLHDGQRZEKOB-SOUVJXGZSA-N 2 2 268.401 0.966 20 30 CCEDLP C=CCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252597773 807916862 /nfs/dbraw/zinc/91/68/62/807916862.db2.gz DBQLHDGQRZEKOB-SOUVJXGZSA-N 2 2 268.401 0.966 20 30 CCEDLP C=CCC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252597773 807916865 /nfs/dbraw/zinc/91/68/65/807916865.db2.gz DBQLHDGQRZEKOB-SOUVJXGZSA-N 2 2 268.401 0.966 20 30 CCEDLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cncc(C#N)c1 ZINC001253408386 808061349 /nfs/dbraw/zinc/06/13/49/808061349.db2.gz DGMVVJZEBVEAKP-ZDUSSCGKSA-N 2 2 262.357 0.792 20 30 CCEDLP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001278884200 808426724 /nfs/dbraw/zinc/42/67/24/808426724.db2.gz ZTABRMAVJNVJHD-CYBMUJFWSA-N 2 2 281.400 0.210 20 30 CCEDLP C=CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001278884200 808426732 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359428078 /nfs/dbraw/zinc/42/80/78/359428078.db2.gz IKCOOXRLRJPJKM-CQSZACIVSA-N 2 2 294.399 0.331 20 30 CCEDLP N#CCCOCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000590166954 359428083 /nfs/dbraw/zinc/42/80/83/359428083.db2.gz IKCOOXRLRJPJKM-CQSZACIVSA-N 2 2 294.399 0.331 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCC#N)C2)CC1 ZINC000589703055 359399338 /nfs/dbraw/zinc/39/93/38/359399338.db2.gz VQYKSIVVLKUGLL-ZDUSSCGKSA-N 2 2 278.400 0.965 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCC#N)C2)CC1 ZINC000589703055 359399340 /nfs/dbraw/zinc/39/93/40/359399340.db2.gz VQYKSIVVLKUGLL-ZDUSSCGKSA-N 2 2 278.400 0.965 20 30 CCEDLP N#Cc1cnccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000592494307 359859284 /nfs/dbraw/zinc/85/92/84/359859284.db2.gz PPRGSKIBBXBJBV-HNNXBMFYSA-N 2 2 271.368 0.433 20 30 CCEDLP N#Cc1cnccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000592494307 359859289 /nfs/dbraw/zinc/85/92/89/359859289.db2.gz PPRGSKIBBXBJBV-HNNXBMFYSA-N 2 2 271.368 0.433 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccnc(C#N)n3)C2)CC1 ZINC000594556061 360331377 /nfs/dbraw/zinc/33/13/77/360331377.db2.gz MQFUVGLJEOBBTF-LBPRGKRZSA-N 2 2 286.383 0.351 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccnc(C#N)n3)C2)CC1 ZINC000594556061 360331379 /nfs/dbraw/zinc/33/13/79/360331379.db2.gz MQFUVGLJEOBBTF-LBPRGKRZSA-N 2 2 286.383 0.351 20 30 CCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766037 375995468 /nfs/dbraw/zinc/99/54/68/375995468.db2.gz NCFZKXMOYVWWBX-MRXNPFEDSA-N 2 2 297.443 0.800 20 30 CCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766037 375995477 /nfs/dbraw/zinc/99/54/77/375995477.db2.gz NCFZKXMOYVWWBX-MRXNPFEDSA-N 2 2 297.443 0.800 20 30 CCEDLP C=CC[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000186624339 388843302 /nfs/dbraw/zinc/84/33/02/388843302.db2.gz BEJAXMMMPPKFJB-ZDUSSCGKSA-N 2 2 298.431 0.249 20 30 CCEDLP C[N@H+](CCCO)C1CC[NH+](CCOCCC#N)CC1 ZINC000339003714 389120559 /nfs/dbraw/zinc/12/05/59/389120559.db2.gz XAOCUKAHOXFPLV-UHFFFAOYSA-N 2 2 269.389 0.695 20 30 CCEDLP C[N@@H+](CCCO)C1CC[NH+](CCOCCC#N)CC1 ZINC000339003714 389120561 /nfs/dbraw/zinc/12/05/61/389120561.db2.gz XAOCUKAHOXFPLV-UHFFFAOYSA-N 2 2 269.389 0.695 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000339021716 389122435 /nfs/dbraw/zinc/12/24/35/389122435.db2.gz NBYACUPQEVCDRH-CQSZACIVSA-N 2 2 281.400 0.427 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000339021716 389122438 /nfs/dbraw/zinc/12/24/38/389122438.db2.gz NBYACUPQEVCDRH-CQSZACIVSA-N 2 2 281.400 0.427 20 30 CCEDLP C[N@@H+]1CCO[C@H](C[NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329629118 389179485 /nfs/dbraw/zinc/17/94/85/389179485.db2.gz UYORBJFWPPZYJI-GHMZBOCLSA-N 2 2 293.371 0.101 20 30 CCEDLP C[N@H+]1CCO[C@H](C[NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329629118 389179491 /nfs/dbraw/zinc/17/94/91/389179491.db2.gz UYORBJFWPPZYJI-GHMZBOCLSA-N 2 2 293.371 0.101 20 30 CCEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000123565623 389157213 /nfs/dbraw/zinc/15/72/13/389157213.db2.gz CMBBTVZROPGSDJ-GFCCVEGCSA-N 2 2 275.356 0.314 20 30 CCEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000123565623 389157215 /nfs/dbraw/zinc/15/72/15/389157215.db2.gz CMBBTVZROPGSDJ-GFCCVEGCSA-N 2 2 275.356 0.314 20 30 CCEDLP CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000330713891 389253162 /nfs/dbraw/zinc/25/31/62/389253162.db2.gz ZMIHESUUJGWEJB-CYBMUJFWSA-N 2 2 285.436 0.076 20 30 CCEDLP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000330713891 389253164 /nfs/dbraw/zinc/25/31/64/389253164.db2.gz ZMIHESUUJGWEJB-CYBMUJFWSA-N 2 2 285.436 0.076 20 30 CCEDLP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000330713891 389253166 /nfs/dbraw/zinc/25/31/66/389253166.db2.gz ZMIHESUUJGWEJB-CYBMUJFWSA-N 2 2 285.436 0.076 20 30 CCEDLP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000330713891 389253169 /nfs/dbraw/zinc/25/31/69/389253169.db2.gz ZMIHESUUJGWEJB-CYBMUJFWSA-N 2 2 285.436 0.076 20 30 CCEDLP CCN(CCC#N)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181059374 389680600 /nfs/dbraw/zinc/68/06/00/389680600.db2.gz QJZQVONDKSQVFO-UHFFFAOYSA-N 2 2 277.372 0.967 20 30 CCEDLP CCN(CCC#N)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181059374 389680605 /nfs/dbraw/zinc/68/06/05/389680605.db2.gz QJZQVONDKSQVFO-UHFFFAOYSA-N 2 2 277.372 0.967 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420363395 389992686 /nfs/dbraw/zinc/99/26/86/389992686.db2.gz IAFIJFRJIBCHPB-DOMZBBRYSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420363395 389992688 /nfs/dbraw/zinc/99/26/88/389992688.db2.gz IAFIJFRJIBCHPB-DOMZBBRYSA-N 2 2 294.399 0.462 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492809375 390118543 /nfs/dbraw/zinc/11/85/43/390118543.db2.gz FXLSGKUAHAWIOH-PLNGDYQASA-N 2 2 258.325 0.590 20 30 CCEDLP C[NH+](C)C[C@](C)(C#N)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000578975708 390130256 /nfs/dbraw/zinc/13/02/56/390130256.db2.gz NHTAOOLHEHKKMT-HNNXBMFYSA-N 2 2 278.400 0.821 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655626 414433169 /nfs/dbraw/zinc/43/31/69/414433169.db2.gz OFXBATKJGHYBBH-CQSZACIVSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655626 414433173 /nfs/dbraw/zinc/43/31/73/414433173.db2.gz OFXBATKJGHYBBH-CQSZACIVSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655626 414433179 /nfs/dbraw/zinc/43/31/79/414433179.db2.gz OFXBATKJGHYBBH-CQSZACIVSA-N 2 2 251.374 0.706 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655626 414433184 /nfs/dbraw/zinc/43/31/84/414433184.db2.gz OFXBATKJGHYBBH-CQSZACIVSA-N 2 2 251.374 0.706 20 30 CCEDLP C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660711792 414455906 /nfs/dbraw/zinc/45/59/06/414455906.db2.gz GZKAZCGXYWTCST-CHWSQXEVSA-N 2 2 296.415 0.001 20 30 CCEDLP C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660711792 414455909 /nfs/dbraw/zinc/45/59/09/414455909.db2.gz GZKAZCGXYWTCST-CHWSQXEVSA-N 2 2 296.415 0.001 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662324250 414709722 /nfs/dbraw/zinc/70/97/22/414709722.db2.gz SSYVQSFQOFHFQQ-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662324250 414709723 /nfs/dbraw/zinc/70/97/23/414709723.db2.gz SSYVQSFQOFHFQQ-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[C@@]1(C(=O)N2CC[NH+](CCOC)CC2)CCC[NH2+]1 ZINC000662671620 414739446 /nfs/dbraw/zinc/73/94/46/414739446.db2.gz VXQRXXLRNLLQKR-HNNXBMFYSA-N 2 2 281.400 0.475 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000662700709 414743073 /nfs/dbraw/zinc/74/30/73/414743073.db2.gz KBUMORMFGUINSS-INIZCTEOSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000662700709 414743074 /nfs/dbraw/zinc/74/30/74/414743074.db2.gz KBUMORMFGUINSS-INIZCTEOSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662859446 414852746 /nfs/dbraw/zinc/85/27/46/414852746.db2.gz MXODOUJVUBBLGC-OFQRWUPVSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662859446 414852752 /nfs/dbraw/zinc/85/27/52/414852752.db2.gz MXODOUJVUBBLGC-OFQRWUPVSA-N 2 2 295.427 0.910 20 30 CCEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@@H+]1C ZINC000347065634 226012637 /nfs/dbraw/zinc/01/26/37/226012637.db2.gz YKEAKMDGLQRMFY-STQMWFEESA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@H+]1C ZINC000347065634 226012639 /nfs/dbraw/zinc/01/26/39/226012639.db2.gz YKEAKMDGLQRMFY-STQMWFEESA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1C ZINC000347065634 226012642 /nfs/dbraw/zinc/01/26/42/226012642.db2.gz YKEAKMDGLQRMFY-STQMWFEESA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1C ZINC000347065634 226012646 /nfs/dbraw/zinc/01/26/46/226012646.db2.gz YKEAKMDGLQRMFY-STQMWFEESA-N 2 2 278.400 0.963 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161380176 544705444 /nfs/dbraw/zinc/70/54/44/544705444.db2.gz YPGIBTKRDWTTDW-CYBMUJFWSA-N 2 2 274.368 0.894 20 30 CCEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335852578 265222902 /nfs/dbraw/zinc/22/29/02/265222902.db2.gz TUGLMIASQHFFIM-ZDUSSCGKSA-N 2 2 251.374 0.801 20 30 CCEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335852578 265222897 /nfs/dbraw/zinc/22/28/97/265222897.db2.gz TUGLMIASQHFFIM-ZDUSSCGKSA-N 2 2 251.374 0.801 20 30 CCEDLP C#CC[NH+](CC#C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000158759871 277682804 /nfs/dbraw/zinc/68/28/04/277682804.db2.gz FZKIHLGBQUAREX-QGZVFWFLSA-N 2 2 297.402 0.974 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCCC1 ZINC000262694426 328151372 /nfs/dbraw/zinc/15/13/72/328151372.db2.gz WZZLMKSCLFYUOW-UHFFFAOYSA-N 2 2 264.377 0.657 20 30 CCEDLP CN(C)C(=[NH+]CC[N@@H+]1CCOC(C)(C)C1)N(C)C ZINC000170912886 329072322 /nfs/dbraw/zinc/07/23/22/329072322.db2.gz PPEKHGOSUZFCNO-UHFFFAOYSA-N 2 2 256.394 0.576 20 30 CCEDLP CN(C)C(=[NH+]CC[N@H+]1CCOC(C)(C)C1)N(C)C ZINC000170912886 329072323 /nfs/dbraw/zinc/07/23/23/329072323.db2.gz PPEKHGOSUZFCNO-UHFFFAOYSA-N 2 2 256.394 0.576 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173596351 329149623 /nfs/dbraw/zinc/14/96/23/329149623.db2.gz XKPZIQGYAJMOAL-HUUCEWRRSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173596351 329149624 /nfs/dbraw/zinc/14/96/24/329149624.db2.gz XKPZIQGYAJMOAL-HUUCEWRRSA-N 2 2 277.412 0.932 20 30 CCEDLP C=CCN1CC[C@H]([NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)C1=O ZINC000420365763 329762301 /nfs/dbraw/zinc/76/23/01/329762301.db2.gz LNAVEXBIVJJDCH-QNWHQSFQSA-N 2 2 251.374 0.749 20 30 CCEDLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424136043 330271309 /nfs/dbraw/zinc/27/13/09/330271309.db2.gz QCXNEJPAEJWTGY-ZDUSSCGKSA-N 2 2 282.388 0.188 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000490739913 332110575 /nfs/dbraw/zinc/11/05/75/332110575.db2.gz HRCJYXBSEJGPOD-HUUCEWRRSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@H](C)OC)C(C)C)CC1 ZINC000490781114 332115551 /nfs/dbraw/zinc/11/55/51/332115551.db2.gz WIJFELWUJSXYNO-HNNXBMFYSA-N 2 2 295.427 0.509 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@H](C)OC)C(C)C)CC1 ZINC000490781114 332115553 /nfs/dbraw/zinc/11/55/53/332115553.db2.gz WIJFELWUJSXYNO-HNNXBMFYSA-N 2 2 295.427 0.509 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(O)(CC)CC2)CC1 ZINC000490840436 332119413 /nfs/dbraw/zinc/11/94/13/332119413.db2.gz OHUXPPNDHSAUFJ-UHFFFAOYSA-N 2 2 293.411 0.001 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OC)C[C@@H]2C)CC1 ZINC000491325942 332189960 /nfs/dbraw/zinc/18/99/60/332189960.db2.gz IIYMJBPVJPGCFA-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)CC1 ZINC000491325942 332189962 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CC[C@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000566428782 334648350 /nfs/dbraw/zinc/64/83/50/334648350.db2.gz JYGIBDMCFXPORB-GFCCVEGCSA-N 2 2 266.389 0.869 20 30 CCEDLP C[N@@H+]1CCN(C(=O)NCC#Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000576963823 335270900 /nfs/dbraw/zinc/27/09/00/335270900.db2.gz QOEFGEYVMDWNTB-HNNXBMFYSA-N 2 2 286.379 0.322 20 30 CCEDLP C[N@H+]1CCN(C(=O)NCC#Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000576963823 335270902 /nfs/dbraw/zinc/27/09/02/335270902.db2.gz QOEFGEYVMDWNTB-HNNXBMFYSA-N 2 2 286.379 0.322 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177382825 335371203 /nfs/dbraw/zinc/37/12/03/335371203.db2.gz CNTIMUZKXPUDKW-AWEZNQCLSA-N 2 2 296.459 0.635 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177382825 335371205 /nfs/dbraw/zinc/37/12/05/335371205.db2.gz CNTIMUZKXPUDKW-AWEZNQCLSA-N 2 2 296.459 0.635 20 30 CCEDLP C=CCNC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177382825 335371207 /nfs/dbraw/zinc/37/12/07/335371207.db2.gz 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/nfs/dbraw/zinc/55/29/48/613552948.db2.gz JECGTAOSRDRLOE-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000981439808 613552949 /nfs/dbraw/zinc/55/29/49/613552949.db2.gz JECGTAOSRDRLOE-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981439808 613552950 /nfs/dbraw/zinc/55/29/50/613552950.db2.gz JECGTAOSRDRLOE-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980893207 613694596 /nfs/dbraw/zinc/69/45/96/613694596.db2.gz IXCCPPUKPSNAPU-CYBMUJFWSA-N 2 2 267.373 0.037 20 30 CCEDLP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893207 613694599 /nfs/dbraw/zinc/69/45/99/613694599.db2.gz IXCCPPUKPSNAPU-CYBMUJFWSA-N 2 2 267.373 0.037 20 30 CCEDLP C=CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893207 613694601 /nfs/dbraw/zinc/69/46/01/613694601.db2.gz IXCCPPUKPSNAPU-CYBMUJFWSA-N 2 2 267.373 0.037 20 30 CCEDLP C=CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893207 613694603 /nfs/dbraw/zinc/69/46/03/613694603.db2.gz IXCCPPUKPSNAPU-CYBMUJFWSA-N 2 2 267.373 0.037 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1=O ZINC000879579666 613778468 /nfs/dbraw/zinc/77/84/68/613778468.db2.gz ASSJRHKMGXJEGV-MCIONIFRSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1=O ZINC000879579666 613778469 /nfs/dbraw/zinc/77/84/69/613778469.db2.gz ASSJRHKMGXJEGV-MCIONIFRSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879579666 613778471 /nfs/dbraw/zinc/77/84/71/613778471.db2.gz ASSJRHKMGXJEGV-MCIONIFRSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879579666 613778472 /nfs/dbraw/zinc/77/84/72/613778472.db2.gz ASSJRHKMGXJEGV-MCIONIFRSA-N 2 2 263.385 0.799 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000884027307 613877434 /nfs/dbraw/zinc/87/74/34/613877434.db2.gz YNNSCHFYCRENIT-NEPJUHHUSA-N 2 2 283.372 0.034 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000884035275 613877519 /nfs/dbraw/zinc/87/75/19/613877519.db2.gz VZFIIXWBQJGSPK-SDDRHHMPSA-N 2 2 283.372 0.019 20 30 CCEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C=NOC)CC2)CC1 ZINC000817657349 615099865 /nfs/dbraw/zinc/09/98/65/615099865.db2.gz XRLVEGNMRKDLAL-UHFFFAOYSA-N 2 2 296.415 0.637 20 30 CCEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C=NOC)CC2)CC1 ZINC000817657349 615099866 /nfs/dbraw/zinc/09/98/66/615099866.db2.gz XRLVEGNMRKDLAL-UHFFFAOYSA-N 2 2 296.415 0.637 20 30 CCEDLP CN(CCCn1cc[nH+]c1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852889839 616076386 /nfs/dbraw/zinc/07/63/86/616076386.db2.gz RHALGDWBUACGNO-UHFFFAOYSA-N 2 2 274.368 0.735 20 30 CCEDLP C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876789848 616227958 /nfs/dbraw/zinc/22/79/58/616227958.db2.gz LBXAMKOAHJGSJW-OAHLLOKOSA-N 2 2 284.363 0.519 20 30 CCEDLP CN(C)C(=[NH+]CCCCN1CC[NH+](C)CC1)N(C)C ZINC000104169861 616240507 /nfs/dbraw/zinc/24/05/07/616240507.db2.gz FJTRCWHLPMLBRR-UHFFFAOYSA-N 2 2 269.437 0.493 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001026325257 625398448 /nfs/dbraw/zinc/39/84/48/625398448.db2.gz WPKOCMBOMYBHPW-SOUVJXGZSA-N 2 2 286.379 0.733 20 30 CCEDLP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]12 ZINC001026432238 625448194 /nfs/dbraw/zinc/44/81/94/625448194.db2.gz PUXKKHNFCJXHEI-MGPQQGTHSA-N 2 2 274.368 0.896 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001020432238 624475866 /nfs/dbraw/zinc/47/58/66/624475866.db2.gz GVMDXVWBQAMOTB-RBSFLKMASA-N 2 2 293.411 0.357 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001020432238 624475868 /nfs/dbraw/zinc/47/58/68/624475868.db2.gz GVMDXVWBQAMOTB-RBSFLKMASA-N 2 2 293.411 0.357 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001022119309 624876407 /nfs/dbraw/zinc/87/64/07/624876407.db2.gz CWKVAXNXVXTORU-BETUJISGSA-N 2 2 286.379 0.632 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001022310754 624921351 /nfs/dbraw/zinc/92/13/51/624921351.db2.gz IYRCNBQFXVETCT-RWMBFGLXSA-N 2 2 272.352 0.316 20 30 CCEDLP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001007004649 650061948 /nfs/dbraw/zinc/06/19/48/650061948.db2.gz WCQZZXBHNQESGG-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001007004649 650061949 /nfs/dbraw/zinc/06/19/49/650061949.db2.gz WCQZZXBHNQESGG-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001007004649 650061951 /nfs/dbraw/zinc/06/19/51/650061951.db2.gz WCQZZXBHNQESGG-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001007004649 650061953 /nfs/dbraw/zinc/06/19/53/650061953.db2.gz WCQZZXBHNQESGG-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000987440935 632867777 /nfs/dbraw/zinc/86/77/77/632867777.db2.gz NQDCQWPEQIYNLF-GXTWGEPZSA-N 2 2 274.368 0.565 20 30 CCEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])N(C)C)C[C@H](C)O1 ZINC000170909558 637105444 /nfs/dbraw/zinc/10/54/44/637105444.db2.gz YWSZAAFAPCQIID-PHIMTYICSA-N 2 2 256.394 0.751 20 30 CCEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])N(C)C)C[C@H](C)O1 ZINC000170909558 637105448 /nfs/dbraw/zinc/10/54/48/637105448.db2.gz YWSZAAFAPCQIID-PHIMTYICSA-N 2 2 256.394 0.751 20 30 CCEDLP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001169067 639245418 /nfs/dbraw/zinc/24/54/18/639245418.db2.gz NMDXAKSCNZOHMZ-HUUCEWRRSA-N 2 2 298.390 0.905 20 30 CCEDLP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001001169067 639245430 /nfs/dbraw/zinc/24/54/30/639245430.db2.gz NMDXAKSCNZOHMZ-HUUCEWRRSA-N 2 2 298.390 0.905 20 30 CCEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014953738 650507612 /nfs/dbraw/zinc/50/76/12/650507612.db2.gz GOQAMKRSENUCBQ-CHWSQXEVSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014953738 650507617 /nfs/dbraw/zinc/50/76/17/650507617.db2.gz GOQAMKRSENUCBQ-CHWSQXEVSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014953738 650507619 /nfs/dbraw/zinc/50/76/19/650507619.db2.gz GOQAMKRSENUCBQ-CHWSQXEVSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014953738 650507622 /nfs/dbraw/zinc/50/76/22/650507622.db2.gz GOQAMKRSENUCBQ-CHWSQXEVSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005209595 639889706 /nfs/dbraw/zinc/88/97/06/639889706.db2.gz MHTNXMNWACSBBZ-CQSZACIVSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209595 639889709 /nfs/dbraw/zinc/88/97/09/639889709.db2.gz MHTNXMNWACSBBZ-CQSZACIVSA-N 2 2 281.400 0.426 20 30 CCEDLP OCC[NH+]1CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000819809065 641433837 /nfs/dbraw/zinc/43/38/37/641433837.db2.gz MRYYDNZLHQZFOT-UHFFFAOYSA-N 2 2 287.161 0.938 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000834516460 642599850 /nfs/dbraw/zinc/59/98/50/642599850.db2.gz IQSDMMCWMGDOSL-TZMCWYRMSA-N 2 2 281.319 0.714 20 30 CCEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016994412 650775695 /nfs/dbraw/zinc/77/56/95/650775695.db2.gz LFPKWCCJSRSLFX-ZDUSSCGKSA-N 2 2 272.352 0.487 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001017419588 650800971 /nfs/dbraw/zinc/80/09/71/650800971.db2.gz RBNUBJSKZGJWOU-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C ZINC001017419588 650800973 /nfs/dbraw/zinc/80/09/73/650800973.db2.gz RBNUBJSKZGJWOU-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001017419588 650800975 /nfs/dbraw/zinc/80/09/75/650800975.db2.gz RBNUBJSKZGJWOU-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C ZINC001017419588 650800978 /nfs/dbraw/zinc/80/09/78/650800978.db2.gz RBNUBJSKZGJWOU-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP N#Cc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000872146833 646213994 /nfs/dbraw/zinc/21/39/94/646213994.db2.gz YOXSOWZXTVKIOG-CYBMUJFWSA-N 2 2 271.368 0.685 20 30 CCEDLP C[C@H]1C[N@H+](CC(=O)NCCC#N)CCN1c1cc[nH+]cc1 ZINC000880262351 647176893 /nfs/dbraw/zinc/17/68/93/647176893.db2.gz XFDVLPOUNBPUBP-ZDUSSCGKSA-N 2 2 287.367 0.622 20 30 CCEDLP C[C@H]1C[N@@H+](CC(=O)NCCC#N)CCN1c1cc[nH+]cc1 ZINC000880262351 647176896 /nfs/dbraw/zinc/17/68/96/647176896.db2.gz XFDVLPOUNBPUBP-ZDUSSCGKSA-N 2 2 287.367 0.622 20 30 CCEDLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c[nH+]1 ZINC000884250714 647680573 /nfs/dbraw/zinc/68/05/73/647680573.db2.gz MARYERVJYBXLOU-MNOVXSKESA-N 2 2 261.329 0.154 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCC1 ZINC000886173026 647913870 /nfs/dbraw/zinc/91/38/70/647913870.db2.gz CVZBDLSRYOVMHM-CYBMUJFWSA-N 2 2 289.383 0.977 20 30 CCEDLP C[NH+]=C(NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)NC1CC1 ZINC000303391788 649818285 /nfs/dbraw/zinc/81/82/85/649818285.db2.gz FCOJYYLNKRRUIG-AWEZNQCLSA-N 2 2 281.448 0.586 20 30 CCEDLP C=C(C)CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303787680 649825026 /nfs/dbraw/zinc/82/50/26/649825026.db2.gz SQZLIYOIYFVDNC-AWEZNQCLSA-N 2 2 281.448 0.739 20 30 CCEDLP C#CCC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001266335073 790529187 /nfs/dbraw/zinc/52/91/87/790529187.db2.gz GVFWQFAACOMKPT-LBPRGKRZSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CCC[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001266335073 790529196 /nfs/dbraw/zinc/52/91/96/790529196.db2.gz GVFWQFAACOMKPT-LBPRGKRZSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CCC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001266335073 790529199 /nfs/dbraw/zinc/52/91/99/790529199.db2.gz GVFWQFAACOMKPT-LBPRGKRZSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CCC[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001266335073 790529206 /nfs/dbraw/zinc/52/92/06/790529206.db2.gz GVFWQFAACOMKPT-LBPRGKRZSA-N 2 2 262.357 0.660 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193268 790557512 /nfs/dbraw/zinc/55/75/12/790557512.db2.gz IXPHSMNOYBFMOM-SOUVJXGZSA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193268 790557521 /nfs/dbraw/zinc/55/75/21/790557521.db2.gz IXPHSMNOYBFMOM-SOUVJXGZSA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193268 790557525 /nfs/dbraw/zinc/55/75/25/790557525.db2.gz IXPHSMNOYBFMOM-SOUVJXGZSA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193268 790557535 /nfs/dbraw/zinc/55/75/35/790557535.db2.gz IXPHSMNOYBFMOM-SOUVJXGZSA-N 2 2 293.411 0.568 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038257330 791673913 /nfs/dbraw/zinc/67/39/13/791673913.db2.gz AHNHZNUWAAFHDH-KBPBESRZSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038257330 791673917 /nfs/dbraw/zinc/67/39/17/791673917.db2.gz AHNHZNUWAAFHDH-KBPBESRZSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038257330 791673920 /nfs/dbraw/zinc/67/39/20/791673920.db2.gz AHNHZNUWAAFHDH-KBPBESRZSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038257330 791673923 /nfs/dbraw/zinc/67/39/23/791673923.db2.gz AHNHZNUWAAFHDH-KBPBESRZSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001267216819 791686156 /nfs/dbraw/zinc/68/61/56/791686156.db2.gz RFBZGNXROFDROQ-CYBMUJFWSA-N 2 2 288.395 0.813 20 30 CCEDLP N#Cc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(O)c1 ZINC001234989750 806335218 /nfs/dbraw/zinc/33/52/18/806335218.db2.gz LUMCMMQKZXMHIA-OAHLLOKOSA-N 2 2 272.352 0.401 20 30 CCEDLP N#Cc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064378 806366727 /nfs/dbraw/zinc/36/67/27/806366727.db2.gz XLDDAOWLTXEOHV-HNNXBMFYSA-N 2 2 272.352 0.401 20 30 CCEDLP N#Cc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(O)c1 ZINC001235064378 806366735 /nfs/dbraw/zinc/36/67/35/806366735.db2.gz XLDDAOWLTXEOHV-HNNXBMFYSA-N 2 2 272.352 0.401 20 30 CCEDLP C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC[NH3+])CC2 ZINC001235576281 806461617 /nfs/dbraw/zinc/46/16/17/806461617.db2.gz SSDQVZLQICTDSE-AWEZNQCLSA-N 2 2 251.374 0.978 20 30 CCEDLP C=CCN1C(=O)CC[C@]12CCC[N@H+](CC[NH3+])CC2 ZINC001235576281 806461620 /nfs/dbraw/zinc/46/16/20/806461620.db2.gz SSDQVZLQICTDSE-AWEZNQCLSA-N 2 2 251.374 0.978 20 30 CCEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278104983 806674058 /nfs/dbraw/zinc/67/40/58/806674058.db2.gz CVAJLKODUOYTIF-OLZOCXBDSA-N 2 2 292.383 0.088 20 30 CCEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001278164353 806734808 /nfs/dbraw/zinc/73/48/08/806734808.db2.gz CPTYEGJCBADWDU-YPMHNXCESA-N 2 2 280.372 0.231 20 30 CCEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001278164353 806734810 /nfs/dbraw/zinc/73/48/10/806734810.db2.gz CPTYEGJCBADWDU-YPMHNXCESA-N 2 2 280.372 0.231 20 30 CCEDLP N#CCc1cc[nH+]c(N[C@@H]2COCCC23C[NH2+]C3)c1 ZINC001155467778 800982147 /nfs/dbraw/zinc/98/21/47/800982147.db2.gz IGLABLJHXFFJTG-GFCCVEGCSA-N 2 2 258.325 0.938 20 30 CCEDLP N#CCCN(Cc1cccnc1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157721029 801463016 /nfs/dbraw/zinc/46/30/16/801463016.db2.gz RRWNZJRGXALFHZ-SOUVJXGZSA-N 2 2 299.378 0.274 20 30 CCEDLP Cc1cc(C#N)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157916000 801521259 /nfs/dbraw/zinc/52/12/59/801521259.db2.gz JOEQRQHULKIOPC-UHFFFAOYSA-N 2 2 258.329 0.856 20 30 CCEDLP Cc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)cnc1C#N ZINC001158267695 801610331 /nfs/dbraw/zinc/61/03/31/801610331.db2.gz JCIOHUNJDSJOAC-LBPRGKRZSA-N 2 2 286.383 0.659 20 30 CCEDLP Cc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)cnc1C#N ZINC001158267695 801610339 /nfs/dbraw/zinc/61/03/39/801610339.db2.gz JCIOHUNJDSJOAC-LBPRGKRZSA-N 2 2 286.383 0.659 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161314640 802123208 /nfs/dbraw/zinc/12/32/08/802123208.db2.gz GGJWGKNAORYXOA-ZDUSSCGKSA-N 2 2 274.368 0.565 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380709 809647890 /nfs/dbraw/zinc/64/78/90/809647890.db2.gz PPIBQJPTQLXRQO-AWEZNQCLSA-N 2 2 263.385 0.638 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380709 809647895 /nfs/dbraw/zinc/64/78/95/809647895.db2.gz PPIBQJPTQLXRQO-AWEZNQCLSA-N 2 2 263.385 0.638 20 30 CCEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001264381204 809648290 /nfs/dbraw/zinc/64/82/90/809648290.db2.gz YZXDBAKVLXDIHI-ZDUSSCGKSA-N 2 2 262.357 0.910 20 30 CCEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001264381204 809648293 /nfs/dbraw/zinc/64/82/93/809648293.db2.gz YZXDBAKVLXDIHI-ZDUSSCGKSA-N 2 2 262.357 0.910 20 30 CCEDLP C[NH+](C)C1(CNc2nnccc2C#N)CC[NH+](C)CC1 ZINC001164207194 802688388 /nfs/dbraw/zinc/68/83/88/802688388.db2.gz ULSZPDPGJPSNPJ-UHFFFAOYSA-N 2 2 274.372 0.786 20 30 CCEDLP C=CCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209161436 803576862 /nfs/dbraw/zinc/57/68/62/803576862.db2.gz JTTAQKVKODZDFC-UHFFFAOYSA-N 2 2 267.417 0.902 20 30 CCEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031872 803665440 /nfs/dbraw/zinc/66/54/40/803665440.db2.gz OUJYCFCOIVWAJA-HUUCEWRRSA-N 2 2 293.411 0.169 20 30 CCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211031872 803665442 /nfs/dbraw/zinc/66/54/42/803665442.db2.gz OUJYCFCOIVWAJA-HUUCEWRRSA-N 2 2 293.411 0.169 20 30 CCEDLP CC[N@H+](CC[NH3+])C[C@H](O)COc1ccc(C#N)cc1 ZINC000402167787 803814911 /nfs/dbraw/zinc/81/49/11/803814911.db2.gz AHDURKQDRCBNMI-ZDUSSCGKSA-N 2 2 263.341 0.579 20 30 CCEDLP CC[N@@H+](CC[NH3+])C[C@H](O)COc1ccc(C#N)cc1 ZINC000402167787 803814921 /nfs/dbraw/zinc/81/49/21/803814921.db2.gz AHDURKQDRCBNMI-ZDUSSCGKSA-N 2 2 263.341 0.579 20 30 CCEDLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000402282761 803818717 /nfs/dbraw/zinc/81/87/17/803818717.db2.gz VCGIISHVQZIVTQ-AAEUAGOBSA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000402282761 803818728 /nfs/dbraw/zinc/81/87/28/803818728.db2.gz VCGIISHVQZIVTQ-AAEUAGOBSA-N 2 2 263.341 0.577 20 30 CCEDLP N#C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001219557445 804347826 /nfs/dbraw/zinc/34/78/26/804347826.db2.gz AHVNZRDTVXNWAM-CHWSQXEVSA-N 2 2 269.308 0.661 20 30 CCEDLP CC(=O)/C=C(/C)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219911968 804447175 /nfs/dbraw/zinc/44/71/75/804447175.db2.gz RJKPNWOIGGDRNN-JWJUJFCLSA-N 2 2 261.325 0.868 20 30 CCEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220868412 804686134 /nfs/dbraw/zinc/68/61/34/804686134.db2.gz IMZQHFWMVPWOMB-QWHCGFSZSA-N 2 2 277.372 0.046 20 30 CCEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH]cn1 ZINC001220868412 804686140 /nfs/dbraw/zinc/68/61/40/804686140.db2.gz IMZQHFWMVPWOMB-QWHCGFSZSA-N 2 2 277.372 0.046 20 30 CCEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220868412 804686144 /nfs/dbraw/zinc/68/61/44/804686144.db2.gz IMZQHFWMVPWOMB-QWHCGFSZSA-N 2 2 277.372 0.046 20 30 CCEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1cnc[nH]1 ZINC001220868412 804686151 /nfs/dbraw/zinc/68/61/51/804686151.db2.gz IMZQHFWMVPWOMB-QWHCGFSZSA-N 2 2 277.372 0.046 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666433 815052416 /nfs/dbraw/zinc/05/24/16/815052416.db2.gz HMRBDWOMAGGBRD-RDBSUJKOSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001088666433 815052423 /nfs/dbraw/zinc/05/24/23/815052423.db2.gz HMRBDWOMAGGBRD-RDBSUJKOSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001088666433 815052429 /nfs/dbraw/zinc/05/24/29/815052429.db2.gz HMRBDWOMAGGBRD-RDBSUJKOSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001088666433 815052435 /nfs/dbraw/zinc/05/24/35/815052435.db2.gz HMRBDWOMAGGBRD-RDBSUJKOSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674225 815054941 /nfs/dbraw/zinc/05/49/41/815054941.db2.gz DAECHPKKBBRYBN-IPYPFGDCSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674225 815054946 /nfs/dbraw/zinc/05/49/46/815054946.db2.gz DAECHPKKBBRYBN-IPYPFGDCSA-N 2 2 286.379 0.658 20 30 CCEDLP CC#CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001277224172 805371030 /nfs/dbraw/zinc/37/10/30/805371030.db2.gz DKQPDFZGDPQGHL-UHFFFAOYSA-N 2 2 260.341 0.224 20 30 CCEDLP C=C1CN(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001228043559 805409930 /nfs/dbraw/zinc/40/99/30/805409930.db2.gz OHGKFLWQBRBOPW-ZDUSSCGKSA-N 2 2 278.400 0.736 20 30 CCEDLP C=C1CN(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001228043559 805409937 /nfs/dbraw/zinc/40/99/37/805409937.db2.gz OHGKFLWQBRBOPW-ZDUSSCGKSA-N 2 2 278.400 0.736 20 30 CCEDLP C#CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001279021065 808621458 /nfs/dbraw/zinc/62/14/58/808621458.db2.gz HCXWJKQALJUBGF-CYBMUJFWSA-N 2 2 276.384 0.716 20 30 CCEDLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC001262482476 809317897 /nfs/dbraw/zinc/31/78/97/809317897.db2.gz DNRIUVTYRSNIDO-LSJOCFKGSA-N 2 2 266.370 0.857 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462084 815301089 /nfs/dbraw/zinc/30/10/89/815301089.db2.gz HNBIALOEXNQNMH-GXTWGEPZSA-N 2 2 272.352 0.129 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462084 815301092 /nfs/dbraw/zinc/30/10/92/815301092.db2.gz HNBIALOEXNQNMH-GXTWGEPZSA-N 2 2 272.352 0.129 20 30 CCEDLP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001266006829 809916569 /nfs/dbraw/zinc/91/65/69/809916569.db2.gz PXOMYDJJTMMFDZ-TZMCWYRMSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100715498 811474724 /nfs/dbraw/zinc/47/47/24/811474724.db2.gz ODWYXLWWEAMYJP-IYXRBSQSSA-N 2 2 274.368 0.952 20 30 CCEDLP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001279746307 811637244 /nfs/dbraw/zinc/63/72/44/811637244.db2.gz KVKYWHZFZQEKDJ-ZDUSSCGKSA-N 2 2 292.383 0.042 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC(=C)C ZINC001038369933 811839010 /nfs/dbraw/zinc/83/90/10/811839010.db2.gz YAWDNNSPWOFYBY-GJZGRUSLSA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(=C)C ZINC001038369933 811839021 /nfs/dbraw/zinc/83/90/21/811839021.db2.gz YAWDNNSPWOFYBY-GJZGRUSLSA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC(=C)C ZINC001038369933 811839030 /nfs/dbraw/zinc/83/90/30/811839030.db2.gz YAWDNNSPWOFYBY-GJZGRUSLSA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC(=C)C ZINC001038369933 811839038 /nfs/dbraw/zinc/83/90/38/811839038.db2.gz YAWDNNSPWOFYBY-GJZGRUSLSA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[NH2+]CCN(CC)C(=O)c1cc(C[NH+](C)C)on1 ZINC001268463012 812607714 /nfs/dbraw/zinc/60/77/14/812607714.db2.gz WAIZSFKMAUQVDQ-UHFFFAOYSA-N 2 2 278.356 0.421 20 30 CCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605263 812965956 /nfs/dbraw/zinc/96/59/56/812965956.db2.gz PMVMYQKYFINEHO-JHJVBQTASA-N 2 2 272.352 0.585 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605263 812965962 /nfs/dbraw/zinc/96/59/62/812965962.db2.gz PMVMYQKYFINEHO-JHJVBQTASA-N 2 2 272.352 0.585 20 30 CCEDLP CC#CC[NH2+]C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268686500 813009489 /nfs/dbraw/zinc/00/94/89/813009489.db2.gz DWWWBCKQACEPPB-ZDUSSCGKSA-N 2 2 288.395 0.880 20 30 CCEDLP N#CCc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc[nH+]1 ZINC001168373448 815571683 /nfs/dbraw/zinc/57/16/83/815571683.db2.gz BDWDDWIBUFRXIR-CQSZACIVSA-N 2 2 272.352 0.845 20 30 CCEDLP N#CCc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc[nH+]1 ZINC001168373448 815571688 /nfs/dbraw/zinc/57/16/88/815571688.db2.gz BDWDDWIBUFRXIR-CQSZACIVSA-N 2 2 272.352 0.845 20 30 CCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645970 813110019 /nfs/dbraw/zinc/11/00/19/813110019.db2.gz PMKNLQNBTLRPEK-GFCCVEGCSA-N 2 2 290.367 0.421 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645970 813110025 /nfs/dbraw/zinc/11/00/25/813110025.db2.gz PMKNLQNBTLRPEK-GFCCVEGCSA-N 2 2 290.367 0.421 20 30 CCEDLP C=CCC[NH+]1CC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001269886503 813546966 /nfs/dbraw/zinc/54/69/66/813546966.db2.gz HUNWIPDMXRBRLP-CQSZACIVSA-N 2 2 295.427 0.673 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001270435712 813761907 /nfs/dbraw/zinc/76/19/07/813761907.db2.gz GISCJOJKFJSJAC-KGLIPLIRSA-N 2 2 288.395 0.811 20 30 CCEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001270606268 813834944 /nfs/dbraw/zinc/83/49/44/813834944.db2.gz ATOFDKLBLBEYDW-HNNXBMFYSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001270606268 813834951 /nfs/dbraw/zinc/83/49/51/813834951.db2.gz ATOFDKLBLBEYDW-HNNXBMFYSA-N 2 2 274.368 0.567 20 30 CCEDLP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042570326 814540527 /nfs/dbraw/zinc/54/05/27/814540527.db2.gz OXZKEPBONRUBMV-ZDUSSCGKSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042570326 814540532 /nfs/dbraw/zinc/54/05/32/814540532.db2.gz OXZKEPBONRUBMV-ZDUSSCGKSA-N 2 2 267.373 0.036 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001030306297 815968800 /nfs/dbraw/zinc/96/88/00/815968800.db2.gz OKQXLRAKTKWKHX-HIFRSBDPSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001030306297 815968804 /nfs/dbraw/zinc/96/88/04/815968804.db2.gz OKQXLRAKTKWKHX-HIFRSBDPSA-N 2 2 275.396 0.685 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030345178 815986551 /nfs/dbraw/zinc/98/65/51/815986551.db2.gz ADRFXTIFKKAEKJ-UONOGXRCSA-N 2 2 279.384 0.226 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030345178 815986556 /nfs/dbraw/zinc/98/65/56/815986556.db2.gz ADRFXTIFKKAEKJ-UONOGXRCSA-N 2 2 279.384 0.226 20 30 CCEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839546 816333347 /nfs/dbraw/zinc/33/33/47/816333347.db2.gz MVCLUKQRJHNZSL-AWEZNQCLSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839546 816333352 /nfs/dbraw/zinc/33/33/52/816333352.db2.gz MVCLUKQRJHNZSL-AWEZNQCLSA-N 2 2 281.400 0.472 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001031431682 817050254 /nfs/dbraw/zinc/05/02/54/817050254.db2.gz SKPQMQJIWUYNCA-STQMWFEESA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@@H](C)COC)C2)CC1 ZINC001031435254 817054333 /nfs/dbraw/zinc/05/43/33/817054333.db2.gz VSOQDDRAIWRIED-ZDUSSCGKSA-N 2 2 293.411 0.167 20 30 CCEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001031730739 817296147 /nfs/dbraw/zinc/29/61/47/817296147.db2.gz XAHNGGYMYFOGNG-ZDUSSCGKSA-N 2 2 274.368 0.995 20 30 CCEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001031731544 817296655 /nfs/dbraw/zinc/29/66/55/817296655.db2.gz DEYDORJJCVJRGK-AWEZNQCLSA-N 2 2 286.379 0.832 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922808 817446817 /nfs/dbraw/zinc/44/68/17/817446817.db2.gz NGFOODXVJFHJBR-TZMCWYRMSA-N 2 2 288.395 0.968 20 30 CCEDLP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031933088 817475575 /nfs/dbraw/zinc/47/55/75/817475575.db2.gz LDNAAVAAJKRIDG-CQSZACIVSA-N 2 2 286.379 0.435 20 30 CCEDLP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107817583 818029887 /nfs/dbraw/zinc/02/98/87/818029887.db2.gz UMBVLZYYKARHGR-GOEBONIOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107817583 818029895 /nfs/dbraw/zinc/02/98/95/818029895.db2.gz UMBVLZYYKARHGR-GOEBONIOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107817583 818029905 /nfs/dbraw/zinc/02/99/05/818029905.db2.gz UMBVLZYYKARHGR-GOEBONIOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107817583 818029914 /nfs/dbraw/zinc/02/99/14/818029914.db2.gz UMBVLZYYKARHGR-GOEBONIOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078830350 818056379 /nfs/dbraw/zinc/05/63/79/818056379.db2.gz XSUOOWATJLYCMD-OLZOCXBDSA-N 2 2 272.352 0.533 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078830349 818056561 /nfs/dbraw/zinc/05/65/61/818056561.db2.gz XSUOOWATJLYCMD-CHWSQXEVSA-N 2 2 272.352 0.533 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703561 818891776 /nfs/dbraw/zinc/89/17/76/818891776.db2.gz HHHJMJCMNRGNIA-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703561 818891781 /nfs/dbraw/zinc/89/17/81/818891781.db2.gz HHHJMJCMNRGNIA-CYBMUJFWSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CCOc1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702564678 819145779 /nfs/dbraw/zinc/14/57/79/819145779.db2.gz ZDZDXXFMVZTGJL-MRXNPFEDSA-N 2 2 274.364 0.855 20 30 CCEDLP C#CCOc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702564678 819145783 /nfs/dbraw/zinc/14/57/83/819145783.db2.gz ZDZDXXFMVZTGJL-MRXNPFEDSA-N 2 2 274.364 0.855 20 30 CCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC#C)CC2 ZINC001035724925 819614237 /nfs/dbraw/zinc/61/42/37/819614237.db2.gz VGPKRWXVDWHSOT-INIZCTEOSA-N 2 2 299.418 0.642 20 30 CCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC#C)CC2 ZINC001035724925 819614248 /nfs/dbraw/zinc/61/42/48/819614248.db2.gz VGPKRWXVDWHSOT-INIZCTEOSA-N 2 2 299.418 0.642 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001036251214 819716225 /nfs/dbraw/zinc/71/62/25/819716225.db2.gz BIEFYNHPCUPLBG-OCCSQVGLSA-N 2 2 276.384 0.975 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164660 819732962 /nfs/dbraw/zinc/73/29/62/819732962.db2.gz YYFKDHHAAVFDEI-OAHLLOKOSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164660 819732969 /nfs/dbraw/zinc/73/29/69/819732969.db2.gz YYFKDHHAAVFDEI-OAHLLOKOSA-N 2 2 295.427 0.721 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080670813 820617413 /nfs/dbraw/zinc/61/74/13/820617413.db2.gz CLJZSPCDQPRQLD-VXGBXAGGSA-N 2 2 260.341 0.412 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001080670813 820617416 /nfs/dbraw/zinc/61/74/16/820617416.db2.gz CLJZSPCDQPRQLD-VXGBXAGGSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC)C[C@H]1OC ZINC001081811386 820843238 /nfs/dbraw/zinc/84/32/38/820843238.db2.gz VVVZKZSZJMXMJB-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1OC ZINC001081811386 820843248 /nfs/dbraw/zinc/84/32/48/820843248.db2.gz VVVZKZSZJMXMJB-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)C[C@H]1OC ZINC001081811386 820843258 /nfs/dbraw/zinc/84/32/58/820843258.db2.gz VVVZKZSZJMXMJB-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC)C[C@H]1OC ZINC001081811386 820843269 /nfs/dbraw/zinc/84/32/69/820843269.db2.gz VVVZKZSZJMXMJB-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081856608 820859926 /nfs/dbraw/zinc/85/99/26/820859926.db2.gz CUNKCHOELHRKFE-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081856608 820859937 /nfs/dbraw/zinc/85/99/37/820859937.db2.gz CUNKCHOELHRKFE-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081856608 820859947 /nfs/dbraw/zinc/85/99/47/820859947.db2.gz CUNKCHOELHRKFE-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081856608 820859959 /nfs/dbraw/zinc/85/99/59/820859959.db2.gz CUNKCHOELHRKFE-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC001119594954 821383019 /nfs/dbraw/zinc/38/30/19/821383019.db2.gz IHJQMHDDGIAQLJ-NSHDSACASA-N 2 2 266.345 0.078 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085674445 821889581 /nfs/dbraw/zinc/88/95/81/821889581.db2.gz WHBIWGVHESQZMX-KGLIPLIRSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001085674445 821889589 /nfs/dbraw/zinc/88/95/89/821889589.db2.gz WHBIWGVHESQZMX-KGLIPLIRSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001085674445 821889598 /nfs/dbraw/zinc/88/95/98/821889598.db2.gz WHBIWGVHESQZMX-KGLIPLIRSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001085674445 821889607 /nfs/dbraw/zinc/88/96/07/821889607.db2.gz WHBIWGVHESQZMX-KGLIPLIRSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086125885 822120157 /nfs/dbraw/zinc/12/01/57/822120157.db2.gz LKOODVHCBZKZCP-MCIONIFRSA-N 2 2 286.379 0.563 20 30 CCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287072 822302830 /nfs/dbraw/zinc/30/28/30/822302830.db2.gz KEBKLAAEUKPBBO-INIZCTEOSA-N 2 2 295.427 0.559 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481481 837804240 /nfs/dbraw/zinc/80/42/40/837804240.db2.gz UMHORGOEUKUMSQ-LBPRGKRZSA-N 2 2 262.357 0.727 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398964 835999669 /nfs/dbraw/zinc/99/96/69/835999669.db2.gz LFQIQJNMKDDHPJ-OAHLLOKOSA-N 2 2 281.400 0.475 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398964 835999675 /nfs/dbraw/zinc/99/96/75/835999675.db2.gz LFQIQJNMKDDHPJ-OAHLLOKOSA-N 2 2 281.400 0.475 20 30 CCEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1)C2 ZINC001112590704 836800998 /nfs/dbraw/zinc/80/09/98/836800998.db2.gz LWNRKXLMIXBKGP-HOCLYGCPSA-N 2 2 286.379 0.735 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001113343739 837093793 /nfs/dbraw/zinc/09/37/93/837093793.db2.gz ARHCBZPGVXPHFG-OAHLLOKOSA-N 2 2 295.427 0.818 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001113343739 837093806 /nfs/dbraw/zinc/09/38/06/837093806.db2.gz ARHCBZPGVXPHFG-OAHLLOKOSA-N 2 2 295.427 0.818 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001113351344 837102429 /nfs/dbraw/zinc/10/24/29/837102429.db2.gz YBAKNJMHBRSNJV-AWEZNQCLSA-N 2 2 283.416 0.673 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221351 838340913 /nfs/dbraw/zinc/34/09/13/838340913.db2.gz GGLAIKRTWSJQLO-UONOGXRCSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132221351 838340920 /nfs/dbraw/zinc/34/09/20/838340920.db2.gz GGLAIKRTWSJQLO-UONOGXRCSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134233837 838913978 /nfs/dbraw/zinc/91/39/78/838913978.db2.gz BMFQEJJCJIVHRQ-NWDGAFQWSA-N 2 2 262.357 0.848 20 30 CCEDLP C=CC[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134614265 839019562 /nfs/dbraw/zinc/01/95/62/839019562.db2.gz VCPLVCACHRGZET-UHFFFAOYSA-N 2 2 281.400 0.523 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001185572122 844433678 /nfs/dbraw/zinc/43/36/78/844433678.db2.gz HFOALDCLPRCQEX-TZMCWYRMSA-N 2 2 288.395 0.968 20 30 CCEDLP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799904 839420042 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CCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188354371 844881648 /nfs/dbraw/zinc/88/16/48/844881648.db2.gz RWRRFFNDSLZNPO-CQSZACIVSA-N 2 2 274.368 0.877 20 30 CCEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048760 845965305 /nfs/dbraw/zinc/96/53/05/845965305.db2.gz WFEHQAWLPUEDGY-CYBMUJFWSA-N 2 2 292.383 0.688 20 30 CCEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048760 845965306 /nfs/dbraw/zinc/96/53/06/845965306.db2.gz WFEHQAWLPUEDGY-CYBMUJFWSA-N 2 2 292.383 0.688 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195127884 846465819 /nfs/dbraw/zinc/46/58/19/846465819.db2.gz BJJVEAOFSDZJHU-CHWSQXEVSA-N 2 2 278.356 0.011 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195127884 846465822 /nfs/dbraw/zinc/46/58/22/846465822.db2.gz BJJVEAOFSDZJHU-CHWSQXEVSA-N 2 2 278.356 0.011 20 30 CCEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201727581 847807412 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ATZUBUCGHDVPFN-ILXRZTDVSA-N 2 2 286.379 0.936 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001054952371 853042556 /nfs/dbraw/zinc/04/25/56/853042556.db2.gz SIXWLNMCFHQMTN-CHWSQXEVSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050153267 853325057 /nfs/dbraw/zinc/32/50/57/853325057.db2.gz MCPGATCIDLGDKT-GXTWGEPZSA-N 2 2 272.352 0.508 20 30 CCEDLP C#CCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073018615 854514908 /nfs/dbraw/zinc/51/49/08/854514908.db2.gz GHVSZMCXXBRFKC-UHFFFAOYSA-N 2 2 272.352 0.510 20 30 CCEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073018615 854514914 /nfs/dbraw/zinc/51/49/14/854514914.db2.gz GHVSZMCXXBRFKC-UHFFFAOYSA-N 2 2 272.352 0.510 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099122472 854915767 /nfs/dbraw/zinc/91/57/67/854915767.db2.gz VIZMTRFNATYCTC-BBRMVZONSA-N 2 2 286.379 0.567 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099122472 854915779 /nfs/dbraw/zinc/91/57/79/854915779.db2.gz VIZMTRFNATYCTC-BBRMVZONSA-N 2 2 286.379 0.567 20 30 CCEDLP CC#CC[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100921225 855238329 /nfs/dbraw/zinc/23/83/29/855238329.db2.gz NPIIXALJDRBOEP-UHFFFAOYSA-N 2 2 274.368 0.768 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102174486 855417031 /nfs/dbraw/zinc/41/70/31/855417031.db2.gz VZALGTPCVLVTEH-ZIAGYGMSSA-N 2 2 288.395 0.670 20 30 CCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001102174486 855417037 /nfs/dbraw/zinc/41/70/37/855417037.db2.gz VZALGTPCVLVTEH-ZIAGYGMSSA-N 2 2 288.395 0.670 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102532182 855444051 /nfs/dbraw/zinc/44/40/51/855444051.db2.gz YMJRPOKXCUNGON-DGCLKSJQSA-N 2 2 274.368 0.578 20 30 CCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102532182 855444056 /nfs/dbraw/zinc/44/40/56/855444056.db2.gz YMJRPOKXCUNGON-DGCLKSJQSA-N 2 2 274.368 0.578 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001118958985 856508013 /nfs/dbraw/zinc/50/80/13/856508013.db2.gz LUXGPJXCVXAQRA-VXGBXAGGSA-N 2 2 260.341 0.842 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001118958983 856507903 /nfs/dbraw/zinc/50/79/03/856507903.db2.gz LUXGPJXCVXAQRA-RYUDHWBXSA-N 2 2 260.341 0.842 20 30 CCEDLP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001324286126 912757000 /nfs/dbraw/zinc/75/70/00/912757000.db2.gz OVOBYSACEMCLQU-AWEZNQCLSA-N 2 2 290.367 0.114 20 30 CCEDLP C#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001324518011 912885407 /nfs/dbraw/zinc/88/54/07/912885407.db2.gz OIRAPAZQEJWVKP-CQSZACIVSA-N 2 2 274.368 0.781 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001481456089 892683367 /nfs/dbraw/zinc/68/33/67/892683367.db2.gz FABZPGGBZIDLNC-CQSZACIVSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001481456089 892683372 /nfs/dbraw/zinc/68/33/72/892683372.db2.gz FABZPGGBZIDLNC-CQSZACIVSA-N 2 2 288.395 0.814 20 30 CCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481689781 893012236 /nfs/dbraw/zinc/01/22/36/893012236.db2.gz YQZOHYOSWLMDPA-AWEZNQCLSA-N 2 2 292.383 0.735 20 30 CCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481689781 893012253 /nfs/dbraw/zinc/01/22/53/893012253.db2.gz YQZOHYOSWLMDPA-AWEZNQCLSA-N 2 2 292.383 0.735 20 30 CCEDLP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484128784 896204939 /nfs/dbraw/zinc/20/49/39/896204939.db2.gz RBEGAPKNVBDKJI-OAHLLOKOSA-N 2 2 274.368 0.735 20 30 CCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001484295031 896323862 /nfs/dbraw/zinc/32/38/62/896323862.db2.gz IJFFZJMTANLMJP-CQSZACIVSA-N 2 2 297.443 0.846 20 30 CCEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001484695140 896552328 /nfs/dbraw/zinc/55/23/28/896552328.db2.gz JJCRUBPVVIKOOC-CYBMUJFWSA-N 2 2 292.383 0.735 20 30 CCEDLP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001485173507 896842332 /nfs/dbraw/zinc/84/23/32/896842332.db2.gz FMMYSAXMUBLPQJ-OLZOCXBDSA-N 2 2 276.384 0.859 20 30 CCEDLP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485321639 896946600 /nfs/dbraw/zinc/94/66/00/896946600.db2.gz ZPNQJRZKPPLMNX-OLZOCXBDSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485321639 896946609 /nfs/dbraw/zinc/94/66/09/896946609.db2.gz ZPNQJRZKPPLMNX-OLZOCXBDSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077776581 897483740 /nfs/dbraw/zinc/48/37/40/897483740.db2.gz WBOMLAYDNLNMLV-RBSFLKMASA-N 2 2 293.411 0.044 20 30 CCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077776581 897483746 /nfs/dbraw/zinc/48/37/46/897483746.db2.gz WBOMLAYDNLNMLV-RBSFLKMASA-N 2 2 293.411 0.044 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776581 897483753 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ZINC001282738492 904533690 /nfs/dbraw/zinc/53/36/90/904533690.db2.gz GRUSEMNWMLTRES-CQSZACIVSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317352404 908179828 /nfs/dbraw/zinc/17/98/28/908179828.db2.gz DKIFOEWONUMESE-CHWSQXEVSA-N 2 2 274.368 0.993 20 30 CCEDLP C#CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001317177205 909029368 /nfs/dbraw/zinc/02/93/68/909029368.db2.gz QBYHQUYPMXJLRU-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001317177205 909029387 /nfs/dbraw/zinc/02/93/87/909029387.db2.gz QBYHQUYPMXJLRU-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001318079817 909609785 /nfs/dbraw/zinc/60/97/85/909609785.db2.gz LYHINZJWCNXTMK-UHFFFAOYSA-N 2 2 279.384 0.085 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001319322021 910094330 /nfs/dbraw/zinc/09/43/30/910094330.db2.gz HAVUTYMVQZXJBD-HUUCEWRRSA-N 2 2 295.427 0.721 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001319322021 910094343 /nfs/dbraw/zinc/09/43/43/910094343.db2.gz HAVUTYMVQZXJBD-HUUCEWRRSA-N 2 2 295.427 0.721 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001319322021 910094354 /nfs/dbraw/zinc/09/43/54/910094354.db2.gz HAVUTYMVQZXJBD-HUUCEWRRSA-N 2 2 295.427 0.721 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001319322021 910094367 /nfs/dbraw/zinc/09/43/67/910094367.db2.gz HAVUTYMVQZXJBD-HUUCEWRRSA-N 2 2 295.427 0.721 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001319547681 910196294 /nfs/dbraw/zinc/19/62/94/910196294.db2.gz BJPBWHOBHXRMFC-CQSZACIVSA-N 2 2 295.427 0.557 20 30 CCEDLP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001320049088 910434515 /nfs/dbraw/zinc/43/45/15/910434515.db2.gz CGGDXGZBKJKIAM-ZIAGYGMSSA-N 2 2 288.395 0.937 20 30 CCEDLP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001320049088 910434529 /nfs/dbraw/zinc/43/45/29/910434529.db2.gz CGGDXGZBKJKIAM-ZIAGYGMSSA-N 2 2 288.395 0.937 20 30 CCEDLP C=CC[NH2+]CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001320512317 910713409 /nfs/dbraw/zinc/71/34/09/910713409.db2.gz NOIUSXKVYSAGRQ-GFCCVEGCSA-N 2 2 250.346 0.944 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)C)CC1 ZINC001321773546 911485490 /nfs/dbraw/zinc/48/54/90/911485490.db2.gz OQRDKZRZMHIPKO-UHFFFAOYSA-N 2 2 251.374 0.542 20 30 CCEDLP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001328869034 915486617 /nfs/dbraw/zinc/48/66/17/915486617.db2.gz JCWBTGXYIUPRAK-FIYWTHMPSA-N 2 2 272.352 0.631 20 30 CCEDLP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001328869034 915486632 /nfs/dbraw/zinc/48/66/32/915486632.db2.gz JCWBTGXYIUPRAK-FIYWTHMPSA-N 2 2 272.352 0.631 20 30 CCEDLP CC#CC[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001329591590 916044006 /nfs/dbraw/zinc/04/40/06/916044006.db2.gz CRMJLSLMMLNITF-LBPRGKRZSA-N 2 2 262.357 0.422 20 30 CCEDLP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001329591590 916044023 /nfs/dbraw/zinc/04/40/23/916044023.db2.gz CRMJLSLMMLNITF-LBPRGKRZSA-N 2 2 262.357 0.422 20 30 CCEDLP C#CC[NH2+]CCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001330826907 916898219 /nfs/dbraw/zinc/89/82/19/916898219.db2.gz KCXFNFVCZYPIDI-GFCCVEGCSA-N 2 2 262.357 0.850 20 30 CCEDLP C#CC[NH2+]CCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001330826907 916898225 /nfs/dbraw/zinc/89/82/25/916898225.db2.gz KCXFNFVCZYPIDI-GFCCVEGCSA-N 2 2 262.357 0.850 20 30 CCEDLP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001331337492 917273936 /nfs/dbraw/zinc/27/39/36/917273936.db2.gz CKPCTJSKHFPRBY-GFCCVEGCSA-N 2 2 262.357 0.965 20 30 CCEDLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC001342949765 923144987 /nfs/dbraw/zinc/14/49/87/923144987.db2.gz DKZPCRFLGFKEDX-UONOGXRCSA-N 2 2 296.415 0.577 20 30 CCEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001447296660 930603394 /nfs/dbraw/zinc/60/33/94/930603394.db2.gz CGHIPTTVHWRGHI-GFCCVEGCSA-N 2 2 298.774 0.453 20 30 CCEDLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000602864069 362849501 /nfs/dbraw/zinc/84/95/01/362849501.db2.gz QKJFNHRJYMBPLS-GFCCVEGCSA-N 2 2 266.389 0.867 20 30 CCEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000602989496 362924614 /nfs/dbraw/zinc/92/46/14/362924614.db2.gz QPTQSMZOXDKWNS-STQMWFEESA-N 2 2 264.373 0.384 20 30 CCEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000602989496 362924618 /nfs/dbraw/zinc/92/46/18/362924618.db2.gz QPTQSMZOXDKWNS-STQMWFEESA-N 2 2 264.373 0.384 20 30 CCEDLP CC#CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000121859005 350059552 /nfs/dbraw/zinc/05/95/52/350059552.db2.gz QASBZJBMBSXFSK-UHFFFAOYSA-N 2 2 259.357 0.688 20 30 CCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000226059822 352018434 /nfs/dbraw/zinc/01/84/34/352018434.db2.gz VNKGFYBSJJRZIH-LSDHHAIUSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000226059822 352018437 /nfs/dbraw/zinc/01/84/37/352018437.db2.gz VNKGFYBSJJRZIH-LSDHHAIUSA-N 2 2 289.379 0.982 20 30 CCEDLP CC#CCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655552108 412618491 /nfs/dbraw/zinc/61/84/91/412618491.db2.gz NDVLBJKHKXDSGS-CQSZACIVSA-N 2 2 292.427 0.820 20 30 CCEDLP CC#CCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655552108 412618495 /nfs/dbraw/zinc/61/84/95/412618495.db2.gz NDVLBJKHKXDSGS-CQSZACIVSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CC3CC3)C2)CC1 ZINC000491167491 358292982 /nfs/dbraw/zinc/29/29/82/358292982.db2.gz YFUQWJHJYWPSBN-INIZCTEOSA-N 2 2 289.423 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CC3CC3)C2)CC1 ZINC000491167491 358292988 /nfs/dbraw/zinc/29/29/88/358292988.db2.gz YFUQWJHJYWPSBN-INIZCTEOSA-N 2 2 289.423 0.886 20 30 CCEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000582308932 359133927 /nfs/dbraw/zinc/13/39/27/359133927.db2.gz COZMNGGHIMPGBF-LBPRGKRZSA-N 2 2 287.367 0.772 20 30 CCEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000582308932 359133930 /nfs/dbraw/zinc/13/39/30/359133930.db2.gz COZMNGGHIMPGBF-LBPRGKRZSA-N 2 2 287.367 0.772 20 30 CCEDLP N#Cc1ccncc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000583971157 359159634 /nfs/dbraw/zinc/15/96/34/359159634.db2.gz NYFSXRRXBPVONJ-UHFFFAOYSA-N 2 2 282.351 0.972 20 30 CCEDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000591733748 359649934 /nfs/dbraw/zinc/64/99/34/359649934.db2.gz HRBWHIWLJZYDMX-GJZGRUSLSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000591733748 359649938 /nfs/dbraw/zinc/64/99/38/359649938.db2.gz HRBWHIWLJZYDMX-GJZGRUSLSA-N 2 2 289.379 0.982 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CCCC#N ZINC000594820271 360389163 /nfs/dbraw/zinc/38/91/63/360389163.db2.gz AHHDYDJEPREWBZ-UHFFFAOYSA-N 2 2 290.433 0.093 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CCCC#N ZINC000594820271 360389169 /nfs/dbraw/zinc/38/91/69/360389169.db2.gz AHHDYDJEPREWBZ-UHFFFAOYSA-N 2 2 290.433 0.093 20 30 CCEDLP C=CCCSCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000595269965 360469939 /nfs/dbraw/zinc/46/99/39/360469939.db2.gz AAKLNWLWYKJMHU-LBPRGKRZSA-N 2 2 286.445 0.580 20 30 CCEDLP C=CCCSCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000595269965 360469942 /nfs/dbraw/zinc/46/99/42/360469942.db2.gz AAKLNWLWYKJMHU-LBPRGKRZSA-N 2 2 286.445 0.580 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595898842 360696201 /nfs/dbraw/zinc/69/62/01/360696201.db2.gz MJULZBCBVSBKDB-SECBINFHSA-N 2 2 256.350 0.056 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595898842 360696205 /nfs/dbraw/zinc/69/62/05/360696205.db2.gz MJULZBCBVSBKDB-SECBINFHSA-N 2 2 256.350 0.056 20 30 CCEDLP C=CCCSCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000595939467 360716997 /nfs/dbraw/zinc/71/69/97/360716997.db2.gz JXBVMSYKZGANTN-LLVKDONJSA-N 2 2 259.419 0.691 20 30 CCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613210486 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JOJLOFRADSVLKN-CABCVRRESA-N 2 2 295.427 0.993 20 30 CCEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156612464 801197191 /nfs/dbraw/zinc/19/71/91/801197191.db2.gz LWPWSUWCMNBNIX-LLVKDONJSA-N 2 2 262.357 0.720 20 30 CCEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156612464 801197198 /nfs/dbraw/zinc/19/71/98/801197198.db2.gz LWPWSUWCMNBNIX-LLVKDONJSA-N 2 2 262.357 0.720 20 30 CCEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157747435 801470142 /nfs/dbraw/zinc/47/01/42/801470142.db2.gz HAPFKNHJXJCKMO-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001157747435 801470145 /nfs/dbraw/zinc/47/01/45/801470145.db2.gz HAPFKNHJXJCKMO-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001157747435 801470148 /nfs/dbraw/zinc/47/01/48/801470148.db2.gz HAPFKNHJXJCKMO-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP N#Cc1ccc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2c1 ZINC001158204972 801592541 /nfs/dbraw/zinc/59/25/41/801592541.db2.gz YQEPNCFBBJOSAF-LLVKDONJSA-N 2 2 294.318 0.549 20 30 CCEDLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(Cl)cc1C#N ZINC001158209125 801595703 /nfs/dbraw/zinc/59/57/03/801595703.db2.gz HEYXATYPPGXFNJ-SNVBAGLBSA-N 2 2 291.742 0.963 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161209225 802108513 /nfs/dbraw/zinc/10/85/13/802108513.db2.gz DGNTZRJJEVZHHL-GFCCVEGCSA-N 2 2 262.357 0.727 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161209226 802109109 /nfs/dbraw/zinc/10/91/09/802109109.db2.gz DGNTZRJJEVZHHL-LBPRGKRZSA-N 2 2 262.357 0.727 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163043938 802466469 /nfs/dbraw/zinc/46/64/69/802466469.db2.gz CTIUMJQCFDDAQC-UHFFFAOYSA-N 2 2 262.357 0.472 20 30 CCEDLP Cc1[nH+]c2c(n1-c1ncc(C#N)nc1C)CC[NH2+]CC2 ZINC001165355327 802826580 /nfs/dbraw/zinc/82/65/80/802826580.db2.gz UGXQZRANWANAQY-UHFFFAOYSA-N 2 2 268.324 0.839 20 30 CCEDLP N#Cc1ccnc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205688589 803156900 /nfs/dbraw/zinc/15/69/00/803156900.db2.gz JHPMRIOMKTUFLW-CQSZACIVSA-N 2 2 260.341 0.629 20 30 CCEDLP N#Cc1ccnc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205688589 803156905 /nfs/dbraw/zinc/15/69/05/803156905.db2.gz JHPMRIOMKTUFLW-CQSZACIVSA-N 2 2 260.341 0.629 20 30 CCEDLP C#CC[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206683234 803278008 /nfs/dbraw/zinc/27/80/08/803278008.db2.gz FBKYEHBPLONAQG-UHFFFAOYSA-N 2 2 260.341 0.414 20 30 CCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836916 803632281 /nfs/dbraw/zinc/63/22/81/803632281.db2.gz OPCORBZMFRXATM-CYBMUJFWSA-N 2 2 290.367 0.183 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213239409 803686264 /nfs/dbraw/zinc/68/62/64/803686264.db2.gz ISOAKNHKKPYLTB-ZIAGYGMSSA-N 2 2 292.383 0.665 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213239409 803686270 /nfs/dbraw/zinc/68/62/70/803686270.db2.gz ISOAKNHKKPYLTB-ZIAGYGMSSA-N 2 2 292.383 0.665 20 30 CCEDLP C#CC[NH2+]C[C@@H](NC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC001276712539 803749980 /nfs/dbraw/zinc/74/99/80/803749980.db2.gz WFHDGHGPWOAJEM-CQSZACIVSA-N 2 2 274.368 0.781 20 30 CCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214894755 803764403 /nfs/dbraw/zinc/76/44/03/803764403.db2.gz PYYZPDWVJZMPNG-RGCMKSIDSA-N 2 2 286.379 0.973 20 30 CCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214894755 803764411 /nfs/dbraw/zinc/76/44/11/803764411.db2.gz PYYZPDWVJZMPNG-RGCMKSIDSA-N 2 2 286.379 0.973 20 30 CCEDLP N#Cc1cccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218587062 804022623 /nfs/dbraw/zinc/02/26/23/804022623.db2.gz FOGUODYBXMFJMU-SNVBAGLBSA-N 2 2 256.269 0.185 20 30 CCEDLP Cc1nc(C#N)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)o1 ZINC001218649636 804059034 /nfs/dbraw/zinc/05/90/34/804059034.db2.gz FKQTUTKLZSQSNA-VIFPVBQESA-N 2 2 274.284 0.097 20 30 CCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(O)c(C#N)c1 ZINC001218953924 804165180 /nfs/dbraw/zinc/16/51/80/804165180.db2.gz CVUYLGXXFGEROQ-LBPRGKRZSA-N 2 2 285.307 0.506 20 30 CCEDLP C#Cc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001220381329 804588917 /nfs/dbraw/zinc/58/89/17/804588917.db2.gz HUQFWZZAIXDEBJ-AWEZNQCLSA-N 2 2 268.320 0.577 20 30 CCEDLP C#Cc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc1 ZINC001220381405 804589961 /nfs/dbraw/zinc/58/99/61/804589961.db2.gz JMXGQRSERAJXSQ-HNNXBMFYSA-N 2 2 282.347 0.588 20 30 CCEDLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCCS)cc1 ZINC001220587778 804632177 /nfs/dbraw/zinc/63/21/77/804632177.db2.gz JHNJPNCXXMBURO-LLVKDONJSA-N 2 2 253.371 0.695 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088688544 815057947 /nfs/dbraw/zinc/05/79/47/815057947.db2.gz QTXLEYHULLNJMN-YPMHNXCESA-N 2 2 290.367 0.562 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088688544 815057955 /nfs/dbraw/zinc/05/79/55/815057955.db2.gz QTXLEYHULLNJMN-YPMHNXCESA-N 2 2 290.367 0.562 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001226734848 805275324 /nfs/dbraw/zinc/27/53/24/805275324.db2.gz OFJSUEZARWPGRQ-LBPRGKRZSA-N 2 2 275.356 0.062 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001278526810 807564641 /nfs/dbraw/zinc/56/46/41/807564641.db2.gz MYJOJDJAJGQNQA-DZGCQCFKSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001278526810 807564643 /nfs/dbraw/zinc/56/46/43/807564643.db2.gz MYJOJDJAJGQNQA-DZGCQCFKSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967937 815130194 /nfs/dbraw/zinc/13/01/94/815130194.db2.gz XOVYXLKQGQJIDB-SQWLQELKSA-N 2 2 298.390 0.611 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967937 815130197 /nfs/dbraw/zinc/13/01/97/815130197.db2.gz XOVYXLKQGQJIDB-SQWLQELKSA-N 2 2 298.390 0.611 20 30 CCEDLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001255951253 808441093 /nfs/dbraw/zinc/44/10/93/808441093.db2.gz OTPFXNAUTGUJFA-TUAOUCFPSA-N 2 2 257.378 0.933 20 30 CCEDLP CC(C)C[NH+]1CCC(N2CC[NH2+]C[C@H]2C#N)CC1 ZINC001258010566 808648683 /nfs/dbraw/zinc/64/86/83/808648683.db2.gz CPNLMVWGTSDLFX-CQSZACIVSA-N 2 2 250.390 0.904 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001262153023 809207469 /nfs/dbraw/zinc/20/74/69/809207469.db2.gz OWMFQXLISKGGGR-GJZGRUSLSA-N 2 2 275.396 0.781 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+]2CCC[C@H]2C1 ZINC001262153023 809207476 /nfs/dbraw/zinc/20/74/76/809207476.db2.gz OWMFQXLISKGGGR-GJZGRUSLSA-N 2 2 275.396 0.781 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001262153023 809207480 /nfs/dbraw/zinc/20/74/80/809207480.db2.gz OWMFQXLISKGGGR-GJZGRUSLSA-N 2 2 275.396 0.781 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001262153023 809207483 /nfs/dbraw/zinc/20/74/83/809207483.db2.gz OWMFQXLISKGGGR-GJZGRUSLSA-N 2 2 275.396 0.781 20 30 CCEDLP C#CC[NH2+]CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001263183604 809473651 /nfs/dbraw/zinc/47/36/51/809473651.db2.gz XNCZDJVAAFBKCG-HNNXBMFYSA-N 2 2 282.347 0.963 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001265294844 809748094 /nfs/dbraw/zinc/74/80/94/809748094.db2.gz LERWFGCWEHAKDW-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001265294844 809748096 /nfs/dbraw/zinc/74/80/96/809748096.db2.gz LERWFGCWEHAKDW-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265791879 809855311 /nfs/dbraw/zinc/85/53/11/809855311.db2.gz CIMUPFYXMQVPIP-NEPJUHHUSA-N 2 2 260.341 0.173 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038863860 812266719 /nfs/dbraw/zinc/26/67/19/812266719.db2.gz FCJDIRBJOFVTGC-HNNXBMFYSA-N 2 2 295.346 0.705 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038863860 812266722 /nfs/dbraw/zinc/26/67/22/812266722.db2.gz FCJDIRBJOFVTGC-HNNXBMFYSA-N 2 2 295.346 0.705 20 30 CCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC#N)CC2)CC1 ZINC000426450179 812827543 /nfs/dbraw/zinc/82/75/43/812827543.db2.gz KYOGDQAYNAULBC-UHFFFAOYSA-N 2 2 293.415 0.758 20 30 CCEDLP CC#CC[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001269639035 813458258 /nfs/dbraw/zinc/45/82/58/813458258.db2.gz SGQDXBGADCOPDF-HNNXBMFYSA-N 2 2 274.368 0.850 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981506 816201688 /nfs/dbraw/zinc/20/16/88/816201688.db2.gz XPBULGCMGDOKEU-YPMHNXCESA-N 2 2 262.357 0.728 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981506 816201692 /nfs/dbraw/zinc/20/16/92/816201692.db2.gz XPBULGCMGDOKEU-YPMHNXCESA-N 2 2 262.357 0.728 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001031253016 816896966 /nfs/dbraw/zinc/89/69/66/816896966.db2.gz 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N#CC1(C[C@H](O)C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000600741997 362051317 /nfs/dbraw/zinc/05/13/17/362051317.db2.gz HXBOXURGYKAZTJ-KBPBESRZSA-N 2 2 281.400 0.478 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+][C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000600741997 362051324 /nfs/dbraw/zinc/05/13/24/362051324.db2.gz HXBOXURGYKAZTJ-KBPBESRZSA-N 2 2 281.400 0.478 20 30 CCEDLP Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1C#N ZINC000190855585 351736770 /nfs/dbraw/zinc/73/67/70/351736770.db2.gz MZHJYJRKJGYIAW-OAHLLOKOSA-N 2 2 276.384 0.833 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000226059812 352018908 /nfs/dbraw/zinc/01/89/08/352018908.db2.gz VNKGFYBSJJRZIH-HUUCEWRRSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000226059812 352018914 /nfs/dbraw/zinc/01/89/14/352018914.db2.gz VNKGFYBSJJRZIH-HUUCEWRRSA-N 2 2 289.379 0.982 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389955 363192380 /nfs/dbraw/zinc/19/23/80/363192380.db2.gz 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C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573792928 358999801 /nfs/dbraw/zinc/99/98/01/358999801.db2.gz FOHISLWFYCDSKL-JKJDWNRSSA-N 2 2 298.427 0.780 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)NCCNc1cccc[nH+]1 ZINC000296998274 200057576 /nfs/dbraw/zinc/05/75/76/200057576.db2.gz TWNRLQSRUTZVTI-UHFFFAOYSA-N 2 2 289.383 0.748 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)NCCNc1cccc[nH+]1 ZINC000296998274 200057578 /nfs/dbraw/zinc/05/75/78/200057578.db2.gz TWNRLQSRUTZVTI-UHFFFAOYSA-N 2 2 289.383 0.748 20 30 CCEDLP C[NH+](C)CCN1CC[N@H+](CCCCC#N)CC1=O ZINC000593053354 360021717 /nfs/dbraw/zinc/02/17/17/360021717.db2.gz ZQEGDYSTOLENMR-UHFFFAOYSA-N 2 2 252.362 0.386 20 30 CCEDLP C[NH+](C)CCN1CC[N@@H+](CCCCC#N)CC1=O ZINC000593053354 360021718 /nfs/dbraw/zinc/02/17/18/360021718.db2.gz ZQEGDYSTOLENMR-UHFFFAOYSA-N 2 2 252.362 0.386 20 30 CCEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440537 360309930 /nfs/dbraw/zinc/30/99/30/360309930.db2.gz DZLYEUXWWQWVAG-STQMWFEESA-N 2 2 282.388 0.235 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594445164 360312724 /nfs/dbraw/zinc/31/27/24/360312724.db2.gz AZHUAWLHZWOUIN-LBPRGKRZSA-N 2 2 252.362 0.562 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000598729561 361499111 /nfs/dbraw/zinc/49/91/11/361499111.db2.gz KVTMGCUWPSINJG-KBPBESRZSA-N 2 2 283.416 0.724 20 30 CCEDLP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000598729561 361499117 /nfs/dbraw/zinc/49/91/17/361499117.db2.gz KVTMGCUWPSINJG-KBPBESRZSA-N 2 2 283.416 0.724 20 30 CCEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613209630 364162543 /nfs/dbraw/zinc/16/25/43/364162543.db2.gz BISKXMNKIFROBZ-MCIONIFRSA-N 2 2 263.385 0.727 20 30 CCEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613209630 364162549 /nfs/dbraw/zinc/16/25/49/364162549.db2.gz BISKXMNKIFROBZ-MCIONIFRSA-N 2 2 263.385 0.727 20 30 CCEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866720 370726046 /nfs/dbraw/zinc/72/60/46/370726046.db2.gz WUKKJDMJVQVKMM-UHFFFAOYSA-N 2 2 281.400 0.233 20 30 CCEDLP CC#CC[NH2+]Cc1cn(CCc2c[nH+]cn2C)nn1 ZINC000641173475 376843125 /nfs/dbraw/zinc/84/31/25/376843125.db2.gz KYBDYHOMANMNQM-UHFFFAOYSA-N 2 2 258.329 0.367 20 30 CCEDLP C=CCCn1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)nn1 ZINC000657325018 412962543 /nfs/dbraw/zinc/96/25/43/412962543.db2.gz FGVDXVKOUGJUNC-UHFFFAOYSA-N 2 2 293.415 0.791 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000339021714 389122143 /nfs/dbraw/zinc/12/21/43/389122143.db2.gz NBYACUPQEVCDRH-AWEZNQCLSA-N 2 2 281.400 0.427 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000339021714 389122146 /nfs/dbraw/zinc/12/21/46/389122146.db2.gz NBYACUPQEVCDRH-AWEZNQCLSA-N 2 2 281.400 0.427 20 30 CCEDLP CC#CC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000339752572 389138731 /nfs/dbraw/zinc/13/87/31/389138731.db2.gz LFDLWXICAQWBMN-OAHLLOKOSA-N 2 2 295.427 0.415 20 30 CCEDLP CC#CC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000339752572 389138735 /nfs/dbraw/zinc/13/87/35/389138735.db2.gz LFDLWXICAQWBMN-OAHLLOKOSA-N 2 2 295.427 0.415 20 30 CCEDLP CC#CC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000339752572 389138738 /nfs/dbraw/zinc/13/87/38/389138738.db2.gz LFDLWXICAQWBMN-OAHLLOKOSA-N 2 2 295.427 0.415 20 30 CCEDLP CC#CC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000339752572 389138739 /nfs/dbraw/zinc/13/87/39/389138739.db2.gz LFDLWXICAQWBMN-OAHLLOKOSA-N 2 2 295.427 0.415 20 30 CCEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]21 ZINC000158489740 389343299 /nfs/dbraw/zinc/34/32/99/389343299.db2.gz LXPMXJOTWIMPOS-RYUDHWBXSA-N 2 2 250.346 0.042 20 30 CCEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]21 ZINC000158489740 389343302 /nfs/dbraw/zinc/34/33/02/389343302.db2.gz LXPMXJOTWIMPOS-RYUDHWBXSA-N 2 2 250.346 0.042 20 30 CCEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC000158489740 389343306 /nfs/dbraw/zinc/34/33/06/389343306.db2.gz LXPMXJOTWIMPOS-RYUDHWBXSA-N 2 2 250.346 0.042 20 30 CCEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]21 ZINC000158489740 389343311 /nfs/dbraw/zinc/34/33/11/389343311.db2.gz LXPMXJOTWIMPOS-RYUDHWBXSA-N 2 2 250.346 0.042 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150857214 389274561 /nfs/dbraw/zinc/27/45/61/389274561.db2.gz XNXXOTBIHLAFSO-CYBMUJFWSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150857214 389274565 /nfs/dbraw/zinc/27/45/65/389274565.db2.gz XNXXOTBIHLAFSO-CYBMUJFWSA-N 2 2 294.399 0.416 20 30 CCEDLP CN1CC[NH+]=C1NCC[N@@H+]1CCc2sccc2C1 ZINC000262625726 389290294 /nfs/dbraw/zinc/29/02/94/389290294.db2.gz DIDJHRPOITVBSA-UHFFFAOYSA-N 2 2 264.398 0.997 20 30 CCEDLP CN1CC[NH+]=C1NCC[N@H+]1CCc2sccc2C1 ZINC000262625726 389290296 /nfs/dbraw/zinc/29/02/96/389290296.db2.gz DIDJHRPOITVBSA-UHFFFAOYSA-N 2 2 264.398 0.997 20 30 CCEDLP C#CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000170740945 389461908 /nfs/dbraw/zinc/46/19/08/389461908.db2.gz WLOLZVYKGCTYGE-UHFFFAOYSA-N 2 2 266.389 0.287 20 30 CCEDLP C#CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000170740945 389461911 /nfs/dbraw/zinc/46/19/11/389461911.db2.gz WLOLZVYKGCTYGE-UHFFFAOYSA-N 2 2 266.389 0.287 20 30 CCEDLP COC[C@@H](C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912480 389468999 /nfs/dbraw/zinc/46/89/99/389468999.db2.gz DOCXWNPKBQCLJH-LLVKDONJSA-N 2 2 288.355 0.707 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430606768 389811939 /nfs/dbraw/zinc/81/19/39/389811939.db2.gz ARWALPIXFKJESN-RYUDHWBXSA-N 2 2 282.388 0.318 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430606768 389811941 /nfs/dbraw/zinc/81/19/41/389811941.db2.gz ARWALPIXFKJESN-RYUDHWBXSA-N 2 2 282.388 0.318 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])C1=O ZINC000420265761 389975559 /nfs/dbraw/zinc/97/55/59/389975559.db2.gz BWLWNUUVAJNOCO-UPJWGTAASA-N 2 2 251.374 0.975 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])C1=O ZINC000420265761 389975560 /nfs/dbraw/zinc/97/55/60/389975560.db2.gz BWLWNUUVAJNOCO-UPJWGTAASA-N 2 2 251.374 0.975 20 30 CCEDLP Cc1nn(C)c(N2CC[NH+](CCn3cc[nH+]c3)CC2)c1C#N ZINC000530361027 390876537 /nfs/dbraw/zinc/87/65/37/390876537.db2.gz BTAAVLIRBVFINM-UHFFFAOYSA-N 2 2 299.382 0.619 20 30 CCEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)COC ZINC000661241505 414584204 /nfs/dbraw/zinc/58/42/04/414584204.db2.gz ZLMCIIQAAHNGER-JSGCOSHPSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H](C)COC ZINC000661241505 414584207 /nfs/dbraw/zinc/58/42/07/414584207.db2.gz ZLMCIIQAAHNGER-JSGCOSHPSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)COC ZINC000661241505 414584210 /nfs/dbraw/zinc/58/42/10/414584210.db2.gz ZLMCIIQAAHNGER-JSGCOSHPSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)COC ZINC000661241505 414584214 /nfs/dbraw/zinc/58/42/14/414584214.db2.gz ZLMCIIQAAHNGER-JSGCOSHPSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)COC ZINC000661241506 414584543 /nfs/dbraw/zinc/58/45/43/414584543.db2.gz ZLMCIIQAAHNGER-OCCSQVGLSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H](C)COC ZINC000661241506 414584548 /nfs/dbraw/zinc/58/45/48/414584548.db2.gz ZLMCIIQAAHNGER-OCCSQVGLSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](C)COC ZINC000661241506 414584552 /nfs/dbraw/zinc/58/45/52/414584552.db2.gz ZLMCIIQAAHNGER-OCCSQVGLSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)COC ZINC000661241506 414584556 /nfs/dbraw/zinc/58/45/56/414584556.db2.gz ZLMCIIQAAHNGER-OCCSQVGLSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000662701520 414743061 /nfs/dbraw/zinc/74/30/61/414743061.db2.gz QKHAPVAXVRYIRV-DZGCQCFKSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000662701520 414743062 /nfs/dbraw/zinc/74/30/62/414743062.db2.gz QKHAPVAXVRYIRV-DZGCQCFKSA-N 2 2 281.400 0.522 20 30 CCEDLP [O-]C(NCC[NH+]1CCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330276759 228089244 /nfs/dbraw/zinc/08/92/44/228089244.db2.gz NJCFHGXBAYALQC-NSHDSACASA-N 2 2 263.345 0.407 20 30 CCEDLP C=C(C)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103150954 261278257 /nfs/dbraw/zinc/27/82/57/261278257.db2.gz JFFYRNFUZKAEOL-UHFFFAOYSA-N 2 2 251.374 0.803 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579977 328311259 /nfs/dbraw/zinc/31/12/59/328311259.db2.gz JZCJGBWNKXHRRP-NWDGAFQWSA-N 2 2 262.357 0.900 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579977 328311260 /nfs/dbraw/zinc/31/12/60/328311260.db2.gz JZCJGBWNKXHRRP-NWDGAFQWSA-N 2 2 262.357 0.900 20 30 CCEDLP C[C@H]1CN(C(=[NH2+])NCC[N@@H+]2CCOCC2(C)C)CCO1 ZINC000262461676 330014719 /nfs/dbraw/zinc/01/47/19/330014719.db2.gz MOALQZBPVWJJOQ-LBPRGKRZSA-N 2 2 284.404 0.133 20 30 CCEDLP C[C@H]1CN(C(=[NH2+])NCC[N@H+]2CCOCC2(C)C)CCO1 ZINC000262461676 330014721 /nfs/dbraw/zinc/01/47/21/330014721.db2.gz MOALQZBPVWJJOQ-LBPRGKRZSA-N 2 2 284.404 0.133 20 30 CCEDLP [NH2+]=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCSCC1 ZINC000263135052 330045282 /nfs/dbraw/zinc/04/52/82/330045282.db2.gz NONULDYJDRRWJU-TXEJJXNPSA-N 2 2 284.429 0.213 20 30 CCEDLP [NH2+]=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CCSCC1 ZINC000263135052 330045283 /nfs/dbraw/zinc/04/52/83/330045283.db2.gz NONULDYJDRRWJU-TXEJJXNPSA-N 2 2 284.429 0.213 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)CCC)CC1 ZINC000490762491 332114015 /nfs/dbraw/zinc/11/40/15/332114015.db2.gz GYMIMWQVKIQTOB-UHFFFAOYSA-N 2 2 266.345 0.062 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC2CCCC2)CC1 ZINC000490841858 332120041 /nfs/dbraw/zinc/12/00/41/332120041.db2.gz XEPSSLKNZPIBPV-UHFFFAOYSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2CCCC2)CC1 ZINC000490841858 332120042 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CCEDLP CC(C)[C@@H](CNC(=[NH2+])N(C)C)[NH+]1CCN(C)CC1 ZINC000170910328 637105410 /nfs/dbraw/zinc/10/54/10/637105410.db2.gz KOCPMQCGAMYBHZ-GFCCVEGCSA-N 2 2 255.410 0.135 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994233094 637877335 /nfs/dbraw/zinc/87/73/35/637877335.db2.gz RIHJJHPKHMQJSA-DZGCQCFKSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994233094 637877341 /nfs/dbraw/zinc/87/73/41/637877341.db2.gz RIHJJHPKHMQJSA-DZGCQCFKSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994406820 637933632 /nfs/dbraw/zinc/93/36/32/637933632.db2.gz KVUIEOSDIYAEQL-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994406820 637933637 /nfs/dbraw/zinc/93/36/37/637933637.db2.gz KVUIEOSDIYAEQL-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000999556804 638985847 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CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016903315 650770405 /nfs/dbraw/zinc/77/04/05/650770405.db2.gz ZFHQRAOLPJEVDT-ZDUSSCGKSA-N 2 2 286.379 0.946 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000844195065 643179258 /nfs/dbraw/zinc/17/92/58/643179258.db2.gz PPDQQAVRXXVZKB-YUELXQCFSA-N 2 2 299.378 0.274 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000844195065 643179260 /nfs/dbraw/zinc/17/92/60/643179260.db2.gz PPDQQAVRXXVZKB-YUELXQCFSA-N 2 2 299.378 0.274 20 30 CCEDLP C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000847023020 643479528 /nfs/dbraw/zinc/47/95/28/643479528.db2.gz KOCKZYLMSKRQIM-GJZGRUSLSA-N 2 2 277.412 0.884 20 30 CCEDLP C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000847023020 643479536 /nfs/dbraw/zinc/47/95/36/643479536.db2.gz KOCKZYLMSKRQIM-GJZGRUSLSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001019061332 650934920 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COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231253972 805761930 /nfs/dbraw/zinc/76/19/30/805761930.db2.gz DDJVOFBRTFORIY-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231253972 805761933 /nfs/dbraw/zinc/76/19/33/805761933.db2.gz DDJVOFBRTFORIY-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001231253972 805761936 /nfs/dbraw/zinc/76/19/36/805761936.db2.gz DDJVOFBRTFORIY-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231253979 805762509 /nfs/dbraw/zinc/76/25/09/805762509.db2.gz DDJVOFBRTFORIY-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001231253979 805762517 /nfs/dbraw/zinc/76/25/17/805762517.db2.gz DDJVOFBRTFORIY-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001231253979 805762525 /nfs/dbraw/zinc/76/25/25/805762525.db2.gz DDJVOFBRTFORIY-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267133738 791579595 /nfs/dbraw/zinc/57/95/95/791579595.db2.gz LXWPVDSLWUFJNH-QWHCGFSZSA-N 2 2 274.368 0.563 20 30 CCEDLP C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120537293 798851678 /nfs/dbraw/zinc/85/16/78/798851678.db2.gz XWPPXKIPAYCUPB-KGLIPLIRSA-N 2 2 296.415 0.442 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203012904 799887336 /nfs/dbraw/zinc/88/73/36/799887336.db2.gz GOXKRSXTOSVOSJ-ZIAGYGMSSA-N 2 2 286.379 0.993 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203012904 799887343 /nfs/dbraw/zinc/88/73/43/799887343.db2.gz GOXKRSXTOSVOSJ-ZIAGYGMSSA-N 2 2 286.379 0.993 20 30 CCEDLP C#CCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203051233 799925121 /nfs/dbraw/zinc/92/51/21/799925121.db2.gz ASCURDIWOGNMCJ-UHFFFAOYSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383303 801159264 /nfs/dbraw/zinc/15/92/64/801159264.db2.gz KPAUTAILENGTDU-GFCCVEGCSA-N 2 2 262.357 0.422 20 30 CCEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383303 801159267 /nfs/dbraw/zinc/15/92/67/801159267.db2.gz KPAUTAILENGTDU-GFCCVEGCSA-N 2 2 262.357 0.422 20 30 CCEDLP N#CCCN(Cc1cccnc1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157720289 801462358 /nfs/dbraw/zinc/46/23/58/801462358.db2.gz FMOVGPZRPXJDNW-GDBMZVCRSA-N 2 2 299.378 0.275 20 30 CCEDLP N#Cc1ccc2c(c1)CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001157937627 801532322 /nfs/dbraw/zinc/53/23/22/801532322.db2.gz YENZNOMVMKMPDJ-KGLIPLIRSA-N 2 2 270.336 0.132 20 30 CCEDLP N#Cc1cnc(Cl)cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203095 801591417 /nfs/dbraw/zinc/59/14/17/801591417.db2.gz FBXICVPVYDBPAZ-SECBINFHSA-N 2 2 277.715 0.654 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323596 802126407 /nfs/dbraw/zinc/12/64/07/802126407.db2.gz OQLBBMLCLHWGEO-CYBMUJFWSA-N 2 2 288.395 0.942 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323596 802126412 /nfs/dbraw/zinc/12/64/12/802126412.db2.gz OQLBBMLCLHWGEO-CYBMUJFWSA-N 2 2 288.395 0.942 20 30 CCEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678449 803535297 /nfs/dbraw/zinc/53/52/97/803535297.db2.gz HURJXYHMRGPUTO-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837669 803632200 /nfs/dbraw/zinc/63/22/00/803632200.db2.gz QULRQODGQGKNHP-ZDUSSCGKSA-N 2 2 292.383 0.735 20 30 CCEDLP N#Cc1sccc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218624826 804040336 /nfs/dbraw/zinc/04/03/36/804040336.db2.gz OYWDFKAZNRYVFR-MRVPVSSYSA-N 2 2 261.310 0.851 20 30 CCEDLP Cc1coc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1C#N ZINC001218765045 804114141 /nfs/dbraw/zinc/11/41/41/804114141.db2.gz RPZMGFYQLIZLCO-SNVBAGLBSA-N 2 2 259.269 0.691 20 30 CCEDLP N#Cc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c(C#N)c1 ZINC001219393845 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251.374 0.847 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038111350 815069379 /nfs/dbraw/zinc/06/93/79/815069379.db2.gz RJYQOSZWEJEORL-STQMWFEESA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038111350 815069385 /nfs/dbraw/zinc/06/93/85/815069385.db2.gz RJYQOSZWEJEORL-STQMWFEESA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001038111350 815069390 /nfs/dbraw/zinc/06/93/90/815069390.db2.gz RJYQOSZWEJEORL-STQMWFEESA-N 2 2 251.374 0.847 20 30 CCEDLP C=C[C@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001253575854 808083154 /nfs/dbraw/zinc/08/31/54/808083154.db2.gz GHDGPTBLSNFJQM-HOTGVXAUSA-N 2 2 298.427 0.594 20 30 CCEDLP C=C[C@H](O)C[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001253575854 808083161 /nfs/dbraw/zinc/08/31/61/808083161.db2.gz GHDGPTBLSNFJQM-HOTGVXAUSA-N 2 2 298.427 0.594 20 30 CCEDLP C=C[C@H](O)C[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001253575854 808083166 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C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290508 811698100 /nfs/dbraw/zinc/69/81/00/811698100.db2.gz DOGDOYKIWKHKNS-UONOGXRCSA-N 2 2 290.367 0.371 20 30 CCEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290508 811698108 /nfs/dbraw/zinc/69/81/08/811698108.db2.gz DOGDOYKIWKHKNS-UONOGXRCSA-N 2 2 290.367 0.371 20 30 CCEDLP CC#CC[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001267842858 811830279 /nfs/dbraw/zinc/83/02/79/811830279.db2.gz CJLSIQRFVGOPKC-UHFFFAOYSA-N 2 2 274.368 0.994 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC1CC1 ZINC001038369941 811839399 /nfs/dbraw/zinc/83/93/99/811839399.db2.gz YBHZSUJWJGYNEK-GJZGRUSLSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CC1 ZINC001038369941 811839406 /nfs/dbraw/zinc/83/94/06/811839406.db2.gz YBHZSUJWJGYNEK-GJZGRUSLSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CC1CC1 ZINC001038369941 811839412 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C#CCC[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001268670590 812993439 /nfs/dbraw/zinc/99/34/39/812993439.db2.gz DZGXATDRUUSEOX-GFCCVEGCSA-N 2 2 262.357 0.470 20 30 CCEDLP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268735084 813048440 /nfs/dbraw/zinc/04/84/40/813048440.db2.gz DQDPVBWTIDAHHY-KGLIPLIRSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268735084 813048447 /nfs/dbraw/zinc/04/84/47/813048447.db2.gz DQDPVBWTIDAHHY-KGLIPLIRSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CC[NH2+]CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001268810296 813097006 /nfs/dbraw/zinc/09/70/06/813097006.db2.gz MOCCYZDXYQPHLW-UHFFFAOYSA-N 2 2 262.357 0.424 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038453375 814312338 /nfs/dbraw/zinc/31/23/38/814312338.db2.gz YCAIRBDDDIOPGO-CYBMUJFWSA-N 2 2 263.385 0.991 20 30 CCEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001038453375 814312346 /nfs/dbraw/zinc/31/23/46/814312346.db2.gz YCAIRBDDDIOPGO-CYBMUJFWSA-N 2 2 263.385 0.991 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151749 814428319 /nfs/dbraw/zinc/42/83/19/814428319.db2.gz SEJAZZWNRAPBKN-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151749 814428322 /nfs/dbraw/zinc/42/83/22/814428322.db2.gz SEJAZZWNRAPBKN-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001271997464 814672373 /nfs/dbraw/zinc/67/23/73/814672373.db2.gz ZRFQURVOSKPFIZ-HNNXBMFYSA-N 2 2 281.400 0.211 20 30 CCEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001271997464 814672377 /nfs/dbraw/zinc/67/23/77/814672377.db2.gz ZRFQURVOSKPFIZ-HNNXBMFYSA-N 2 2 281.400 0.211 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088405357 814675219 /nfs/dbraw/zinc/67/52/19/814675219.db2.gz VFMGQRMXHYHDAE-CYBMUJFWSA-N 2 2 274.368 0.946 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001031253015 816897062 /nfs/dbraw/zinc/89/70/62/816897062.db2.gz DLVYPQWSTVFELX-UKRRQHHQSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106876953 816972601 /nfs/dbraw/zinc/97/26/01/816972601.db2.gz GKTYKHHJUXAVNU-ZIAGYGMSSA-N 2 2 288.395 0.670 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106876956 816972909 /nfs/dbraw/zinc/97/29/09/816972909.db2.gz GOFKEORJKPFDLW-ZIAGYGMSSA-N 2 2 288.395 0.670 20 30 CCEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001031415500 817040540 /nfs/dbraw/zinc/04/05/40/817040540.db2.gz WOSXLFACQNDCGE-CYBMUJFWSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001031415500 817040544 /nfs/dbraw/zinc/04/05/44/817040544.db2.gz WOSXLFACQNDCGE-CYBMUJFWSA-N 2 2 267.373 0.084 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106923008 817446842 /nfs/dbraw/zinc/44/68/42/817446842.db2.gz XPDNCPKBIDISDN-TZMCWYRMSA-N 2 2 288.395 0.968 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C12CCC2 ZINC001078793752 818054329 /nfs/dbraw/zinc/05/43/29/818054329.db2.gz BCXPMPNEBLZWBC-KGLIPLIRSA-N 2 2 286.379 0.911 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001032837214 818234467 /nfs/dbraw/zinc/23/44/67/818234467.db2.gz MYLJPCUHWAUWSF-KFWWJZLASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001032837214 818234476 /nfs/dbraw/zinc/23/44/76/818234476.db2.gz MYLJPCUHWAUWSF-KFWWJZLASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](C)OC)C1 ZINC001032837214 818234481 /nfs/dbraw/zinc/23/44/81/818234481.db2.gz MYLJPCUHWAUWSF-KFWWJZLASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](C)OC)C1 ZINC001032837214 818234488 /nfs/dbraw/zinc/23/44/88/818234488.db2.gz MYLJPCUHWAUWSF-KFWWJZLASA-N 2 2 293.411 0.309 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033780114 818937865 /nfs/dbraw/zinc/93/78/65/818937865.db2.gz GHSSTFIVMVTXSF-KGLIPLIRSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033780114 818937870 /nfs/dbraw/zinc/93/78/70/818937870.db2.gz GHSSTFIVMVTXSF-KGLIPLIRSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001033780114 818937874 /nfs/dbraw/zinc/93/78/74/818937874.db2.gz GHSSTFIVMVTXSF-KGLIPLIRSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001033780114 818937879 /nfs/dbraw/zinc/93/78/79/818937879.db2.gz GHSSTFIVMVTXSF-KGLIPLIRSA-N 2 2 281.400 0.426 20 30 CCEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035231215 819426880 /nfs/dbraw/zinc/42/68/80/819426880.db2.gz KBVNFZSPMZJQQL-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035231215 819426887 /nfs/dbraw/zinc/42/68/87/819426887.db2.gz KBVNFZSPMZJQQL-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001035390046 819506260 /nfs/dbraw/zinc/50/62/60/819506260.db2.gz VICVRDYKRCBACN-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001035390046 819506266 /nfs/dbraw/zinc/50/62/66/819506266.db2.gz VICVRDYKRCBACN-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035390046 819506270 /nfs/dbraw/zinc/50/62/70/819506270.db2.gz VICVRDYKRCBACN-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035390046 819506275 /nfs/dbraw/zinc/50/62/75/819506275.db2.gz VICVRDYKRCBACN-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001035390044 819506776 /nfs/dbraw/zinc/50/67/76/819506776.db2.gz VICVRDYKRCBACN-GJZGRUSLSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001035390044 819506779 /nfs/dbraw/zinc/50/67/79/819506779.db2.gz VICVRDYKRCBACN-GJZGRUSLSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035390044 819506783 /nfs/dbraw/zinc/50/67/83/819506783.db2.gz VICVRDYKRCBACN-GJZGRUSLSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035390044 819506786 /nfs/dbraw/zinc/50/67/86/819506786.db2.gz VICVRDYKRCBACN-GJZGRUSLSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001036046106 819677568 /nfs/dbraw/zinc/67/75/68/819677568.db2.gz HTWRFFXBQJDSOC-JSGCOSHPSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001036046106 819677572 /nfs/dbraw/zinc/67/75/72/819677572.db2.gz HTWRFFXBQJDSOC-JSGCOSHPSA-N 2 2 274.368 0.802 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001036251212 819715850 /nfs/dbraw/zinc/71/58/50/819715850.db2.gz BIEFYNHPCUPLBG-JSGCOSHPSA-N 2 2 276.384 0.975 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001082270508 820924723 /nfs/dbraw/zinc/92/47/23/820924723.db2.gz JLAMJHXOSPEKHC-HUUCEWRRSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001082270508 820924726 /nfs/dbraw/zinc/92/47/26/820924726.db2.gz JLAMJHXOSPEKHC-HUUCEWRRSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001084456082 821291204 /nfs/dbraw/zinc/29/12/04/821291204.db2.gz UMXCNGCWKHRGCF-RBSFLKMASA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001084456082 821291212 /nfs/dbraw/zinc/29/12/12/821291212.db2.gz UMXCNGCWKHRGCF-RBSFLKMASA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001084456082 821291220 /nfs/dbraw/zinc/29/12/20/821291220.db2.gz UMXCNGCWKHRGCF-RBSFLKMASA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001084456082 821291229 /nfs/dbraw/zinc/29/12/29/821291229.db2.gz UMXCNGCWKHRGCF-RBSFLKMASA-N 2 2 275.396 0.637 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461539 821292542 /nfs/dbraw/zinc/29/25/42/821292542.db2.gz HAMKMWQVRHZRDR-IIAWOOMASA-N 2 2 298.390 0.611 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084461539 821292545 /nfs/dbraw/zinc/29/25/45/821292545.db2.gz HAMKMWQVRHZRDR-IIAWOOMASA-N 2 2 298.390 0.611 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCOC ZINC001085646457 821869378 /nfs/dbraw/zinc/86/93/78/821869378.db2.gz CHVBXQHHGSHPRJ-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCOC ZINC001085646457 821869384 /nfs/dbraw/zinc/86/93/84/821869384.db2.gz CHVBXQHHGSHPRJ-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCOC ZINC001085646457 821869391 /nfs/dbraw/zinc/86/93/91/821869391.db2.gz CHVBXQHHGSHPRJ-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCOC ZINC001085646457 821869401 /nfs/dbraw/zinc/86/94/01/821869401.db2.gz CHVBXQHHGSHPRJ-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086475052 822272701 /nfs/dbraw/zinc/27/27/01/822272701.db2.gz IOFVTTFARJIBRS-JHJVBQTASA-N 2 2 286.379 0.947 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnoc1C ZINC001129771123 837558314 /nfs/dbraw/zinc/55/83/14/837558314.db2.gz RRXNXGMMXMGIQT-AWEZNQCLSA-N 2 2 290.367 0.286 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnoc1C ZINC001129771123 837558318 /nfs/dbraw/zinc/55/83/18/837558318.db2.gz RRXNXGMMXMGIQT-AWEZNQCLSA-N 2 2 290.367 0.286 20 30 CCEDLP C#CC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491507 837805676 /nfs/dbraw/zinc/80/56/76/837805676.db2.gz VAODJMIEIROPEI-NSHDSACASA-N 2 2 260.341 0.162 20 30 CCEDLP C#CC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491507 837805684 /nfs/dbraw/zinc/80/56/84/837805684.db2.gz VAODJMIEIROPEI-NSHDSACASA-N 2 2 260.341 0.162 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001183731837 844081597 /nfs/dbraw/zinc/08/15/97/844081597.db2.gz WFQQZWNNXDXPMN-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001108322629 835973304 /nfs/dbraw/zinc/97/33/04/835973304.db2.gz AGOAKUQSZJLUCK-HNNXBMFYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108322629 835973305 /nfs/dbraw/zinc/97/33/05/835973305.db2.gz AGOAKUQSZJLUCK-HNNXBMFYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108322629 835973312 /nfs/dbraw/zinc/97/33/12/835973312.db2.gz AGOAKUQSZJLUCK-HNNXBMFYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108322629 835973316 /nfs/dbraw/zinc/97/33/16/835973316.db2.gz AGOAKUQSZJLUCK-HNNXBMFYSA-N 2 2 283.416 0.721 20 30 CCEDLP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399277 836003960 /nfs/dbraw/zinc/00/39/60/836003960.db2.gz NCSDVIZBOUJVRU-MRXNPFEDSA-N 2 2 293.411 0.313 20 30 CCEDLP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399277 836003963 /nfs/dbraw/zinc/00/39/63/836003963.db2.gz NCSDVIZBOUJVRU-MRXNPFEDSA-N 2 2 293.411 0.313 20 30 CCEDLP Cc1cc(Cl)c(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067669 836123697 /nfs/dbraw/zinc/12/36/97/836123697.db2.gz VLYRKTMOVYPXBR-SECBINFHSA-N 2 2 291.742 0.963 20 30 CCEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112551870 836794381 /nfs/dbraw/zinc/79/43/81/836794381.db2.gz UHXILZDPEDPWIC-BBRMVZONSA-N 2 2 286.379 0.804 20 30 CCEDLP Cc1ccc(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204961 837983499 /nfs/dbraw/zinc/98/34/99/837983499.db2.gz YDRVIDIXQINWSU-LLVKDONJSA-N 2 2 257.297 0.310 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664728 838691372 /nfs/dbraw/zinc/69/13/72/838691372.db2.gz YLFAMPJNQQZYRT-LLVKDONJSA-N 2 2 260.341 0.559 20 30 CCEDLP C=CCOCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498851 838994378 /nfs/dbraw/zinc/99/43/78/838994378.db2.gz PXQZSPJQUSBVSH-CYBMUJFWSA-N 2 2 280.372 0.743 20 30 CCEDLP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798514 839418054 /nfs/dbraw/zinc/41/80/54/839418054.db2.gz IBFQLNIJYKQHOT-VXGBXAGGSA-N 2 2 262.357 0.848 20 30 CCEDLP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944717 839476309 /nfs/dbraw/zinc/47/63/09/839476309.db2.gz OIOLVGXGCSDWIL-VXGBXAGGSA-N 2 2 262.357 0.469 20 30 CCEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136030523 839500843 /nfs/dbraw/zinc/50/08/43/839500843.db2.gz ABSVINYPYFKLPO-WDEREUQCSA-N 2 2 262.357 0.767 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727560 839757076 /nfs/dbraw/zinc/75/70/76/839757076.db2.gz LOWYSYLTFBMWID-UONOGXRCSA-N 2 2 292.383 0.090 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727560 839757084 /nfs/dbraw/zinc/75/70/84/839757084.db2.gz LOWYSYLTFBMWID-UONOGXRCSA-N 2 2 292.383 0.090 20 30 CCEDLP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146759442 840370890 /nfs/dbraw/zinc/37/08/90/840370890.db2.gz WGKVHSGJFUFWFC-ZIAGYGMSSA-N 2 2 292.383 0.406 20 30 CCEDLP C[C@H]1CN(O)C(=O)[C@H]1Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001171363277 840950954 /nfs/dbraw/zinc/95/09/54/840950954.db2.gz WNPKYRFOJWYBPJ-JQWIXIFHSA-N 2 2 291.355 0.139 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001095240881 842123778 /nfs/dbraw/zinc/12/37/78/842123778.db2.gz IEKYLMWWOWICIQ-ZOBORPQBSA-N 2 2 263.385 0.988 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001095240881 842123786 /nfs/dbraw/zinc/12/37/86/842123786.db2.gz IEKYLMWWOWICIQ-ZOBORPQBSA-N 2 2 263.385 0.988 20 30 CCEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001095240881 842123791 /nfs/dbraw/zinc/12/37/91/842123791.db2.gz IEKYLMWWOWICIQ-ZOBORPQBSA-N 2 2 263.385 0.988 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351687 842562650 /nfs/dbraw/zinc/56/26/50/842562650.db2.gz MWERDAWSLPWXBN-UHFFFAOYSA-N 2 2 262.357 0.783 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001182011810 843690879 /nfs/dbraw/zinc/69/08/79/843690879.db2.gz FRYVYTPMOJGOHZ-CQSZACIVSA-N 2 2 263.385 0.658 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203243248 847084147 /nfs/dbraw/zinc/08/41/47/847084147.db2.gz ZIKZNQOOJVAYND-ZIAGYGMSSA-N 2 2 286.379 0.923 20 30 CCEDLP C#CCN1CC[C@@]2(CCC[N@@H+]2CCn2cc[nH+]c2)C1=O ZINC001273785377 847417134 /nfs/dbraw/zinc/41/71/34/847417134.db2.gz RDKRPRFWXYTBOQ-HNNXBMFYSA-N 2 2 272.352 0.583 20 30 CCEDLP C#CCN1CC[C@@]2(CCC[N@H+]2CCn2cc[nH+]c2)C1=O ZINC001273785377 847417141 /nfs/dbraw/zinc/41/71/41/847417141.db2.gz RDKRPRFWXYTBOQ-HNNXBMFYSA-N 2 2 272.352 0.583 20 30 CCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201725516 847808020 /nfs/dbraw/zinc/80/80/20/847808020.db2.gz DARVFIIJEOBKTO-LBPRGKRZSA-N 2 2 278.356 0.345 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001274296425 848442540 /nfs/dbraw/zinc/44/25/40/848442540.db2.gz CKQPASANFNEPKK-KBPBESRZSA-N 2 2 274.368 0.733 20 30 CCEDLP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275579834 848767436 /nfs/dbraw/zinc/76/74/36/848767436.db2.gz GXXPMOBDBAUMRA-STQMWFEESA-N 2 2 278.356 0.016 20 30 CCEDLP C#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001042308897 850612309 /nfs/dbraw/zinc/61/23/09/850612309.db2.gz HIGQGCFUXFPIKU-DZGCQCFKSA-N 2 2 286.379 0.519 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001042308897 850612313 /nfs/dbraw/zinc/61/23/13/850612313.db2.gz HIGQGCFUXFPIKU-DZGCQCFKSA-N 2 2 286.379 0.519 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001048953673 852119387 /nfs/dbraw/zinc/11/93/87/852119387.db2.gz FGJRMXNAZVTVIC-OKILXGFUSA-N 2 2 288.395 0.929 20 30 CCEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001048953673 852119391 /nfs/dbraw/zinc/11/93/91/852119391.db2.gz FGJRMXNAZVTVIC-OKILXGFUSA-N 2 2 288.395 0.929 20 30 CCEDLP C=CCC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131369 852173569 /nfs/dbraw/zinc/17/35/69/852173569.db2.gz JFHQUAJHQYYHJW-BETUJISGSA-N 2 2 274.368 0.919 20 30 CCEDLP C=CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131369 852173573 /nfs/dbraw/zinc/17/35/73/852173573.db2.gz JFHQUAJHQYYHJW-BETUJISGSA-N 2 2 274.368 0.919 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001096584892 852390974 /nfs/dbraw/zinc/39/09/74/852390974.db2.gz YZFWHLXNJHYTOX-CBBWQLFWSA-N 2 2 293.411 0.615 20 30 CCEDLP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001096584892 852390979 /nfs/dbraw/zinc/39/09/79/852390979.db2.gz 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C#CC[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001340056058 921937115 /nfs/dbraw/zinc/93/71/15/921937115.db2.gz GUMMRNYZDBEYKX-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001340056061 921938462 /nfs/dbraw/zinc/93/84/62/921938462.db2.gz GUMMRNYZDBEYKX-SOUVJXGZSA-N 2 2 293.411 0.309 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001340838257 922233391 /nfs/dbraw/zinc/23/33/91/922233391.db2.gz HYBNHRPEKQTDAE-QWHCGFSZSA-N 2 2 269.389 0.507 20 30 CCEDLP C#CC[NH2+]CC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC001341701354 922634221 /nfs/dbraw/zinc/63/42/21/922634221.db2.gz PLDORPQBVUFDAP-UHFFFAOYSA-N 2 2 288.351 0.348 20 30 CCEDLP C#CCC[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000091480496 349463751 /nfs/dbraw/zinc/46/37/51/349463751.db2.gz YJRFEYSHLCATBI-UHFFFAOYSA-N 2 2 297.366 0.390 20 30 CCEDLP COc1cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)ccc1C#N ZINC000600772478 362058894 /nfs/dbraw/zinc/05/88/94/362058894.db2.gz CVIPCFACZYRFJC-UHFFFAOYSA-N 2 2 299.334 0.811 20 30 CCEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)CC#N)C1 ZINC000602860665 362845767 /nfs/dbraw/zinc/84/57/67/362845767.db2.gz DGSUKPNHXJFNOW-KGLIPLIRSA-N 2 2 296.415 0.351 20 30 CCEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)CC#N)C1 ZINC000602860665 362845770 /nfs/dbraw/zinc/84/57/70/362845770.db2.gz DGSUKPNHXJFNOW-KGLIPLIRSA-N 2 2 296.415 0.351 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000081642999 349278278 /nfs/dbraw/zinc/27/82/78/349278278.db2.gz YKKOTAFVSIFWSG-UHFFFAOYSA-N 2 2 297.402 0.822 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000081642999 349278282 /nfs/dbraw/zinc/27/82/82/349278282.db2.gz YKKOTAFVSIFWSG-UHFFFAOYSA-N 2 2 297.402 0.822 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833206 363161660 /nfs/dbraw/zinc/16/16/60/363161660.db2.gz APDPHKQSALJRIZ-MCIONIFRSA-N 2 2 290.411 0.869 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833206 363161666 /nfs/dbraw/zinc/16/16/66/363161666.db2.gz APDPHKQSALJRIZ-MCIONIFRSA-N 2 2 290.411 0.869 20 30 CCEDLP Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1C#N ZINC000276980267 353215273 /nfs/dbraw/zinc/21/52/73/353215273.db2.gz SLXAMSMCMCEMSJ-AWEZNQCLSA-N 2 2 289.383 0.326 20 30 CCEDLP Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1C#N ZINC000276980267 353215275 /nfs/dbraw/zinc/21/52/75/353215275.db2.gz SLXAMSMCMCEMSJ-AWEZNQCLSA-N 2 2 289.383 0.326 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000590599088 359496182 /nfs/dbraw/zinc/49/61/82/359496182.db2.gz HJQQBBVKDCFKJR-UHFFFAOYSA-N 2 2 261.329 0.461 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000590599088 359496185 /nfs/dbraw/zinc/49/61/85/359496185.db2.gz HJQQBBVKDCFKJR-UHFFFAOYSA-N 2 2 261.329 0.461 20 30 CCEDLP CC[NH+]1CCN([C@H]2CC[N@H+](CC#CCOC)C2)CC1 ZINC000611194841 363678546 /nfs/dbraw/zinc/67/85/46/363678546.db2.gz VXMXCGNBGYZYAU-HNNXBMFYSA-N 2 2 265.401 0.348 20 30 CCEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC#CCOC)C2)CC1 ZINC000611194841 363678554 /nfs/dbraw/zinc/67/85/54/363678554.db2.gz VXMXCGNBGYZYAU-HNNXBMFYSA-N 2 2 265.401 0.348 20 30 CCEDLP C[NH+](C)CCN1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC000593052256 360021132 /nfs/dbraw/zinc/02/11/32/360021132.db2.gz PAZSSVWVKPMKBU-OLZOCXBDSA-N 2 2 264.373 0.384 20 30 CCEDLP C[NH+](C)CCN1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1=O ZINC000593052256 360021139 /nfs/dbraw/zinc/02/11/39/360021139.db2.gz PAZSSVWVKPMKBU-OLZOCXBDSA-N 2 2 264.373 0.384 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNc2ccc(C#N)c(N)n2)CC1 ZINC000594555442 360329828 /nfs/dbraw/zinc/32/98/28/360329828.db2.gz DEMSLHOFOCELML-UHFFFAOYSA-N 2 2 288.399 0.395 20 30 CCEDLP Cc1[nH+]cc(CN(CCC#N)CC[NH+]2CCOCC2)n1C ZINC000596982975 360992640 /nfs/dbraw/zinc/99/26/40/360992640.db2.gz AOHZNOKYPGZZDR-UHFFFAOYSA-N 2 2 291.399 0.776 20 30 CCEDLP N#Cc1ccccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000598679836 361479757 /nfs/dbraw/zinc/47/97/57/361479757.db2.gz NMXNXKKYZSDKDR-INIZCTEOSA-N 2 2 298.390 0.954 20 30 CCEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000598679836 361479762 /nfs/dbraw/zinc/47/97/62/361479762.db2.gz NMXNXKKYZSDKDR-INIZCTEOSA-N 2 2 298.390 0.954 20 30 CCEDLP C=CC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000625704250 368300147 /nfs/dbraw/zinc/30/01/47/368300147.db2.gz WVBDUFUMHPXZDF-UONOGXRCSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000625704250 368300151 /nfs/dbraw/zinc/30/01/51/368300151.db2.gz WVBDUFUMHPXZDF-UONOGXRCSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000625704250 368300156 /nfs/dbraw/zinc/30/01/56/368300156.db2.gz WVBDUFUMHPXZDF-UONOGXRCSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000625704250 368300160 /nfs/dbraw/zinc/30/01/60/368300160.db2.gz WVBDUFUMHPXZDF-UONOGXRCSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636739460 373733667 /nfs/dbraw/zinc/73/36/67/373733667.db2.gz IDOVXVXGYZMAAI-CYBMUJFWSA-N 2 2 289.383 0.757 20 30 CCEDLP C=CCCS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091649 412886441 /nfs/dbraw/zinc/88/64/41/412886441.db2.gz NVRMIJZMEFEHRN-UHFFFAOYSA-N 2 2 277.434 0.365 20 30 CCEDLP C=CCCS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091649 412886443 /nfs/dbraw/zinc/88/64/43/412886443.db2.gz NVRMIJZMEFEHRN-UHFFFAOYSA-N 2 2 277.434 0.365 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000049376758 388919018 /nfs/dbraw/zinc/91/90/18/388919018.db2.gz GNFJTXJDIIZYRZ-CYBMUJFWSA-N 2 2 274.368 0.733 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000358169394 389144301 /nfs/dbraw/zinc/14/43/01/389144301.db2.gz ZZFNWHHARHUGGV-UHFFFAOYSA-N 2 2 274.368 0.814 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000122579554 389152744 /nfs/dbraw/zinc/15/27/44/389152744.db2.gz MGXOSJXYIUOPPD-GJZGRUSLSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000122579554 389152745 /nfs/dbraw/zinc/15/27/45/389152745.db2.gz MGXOSJXYIUOPPD-GJZGRUSLSA-N 2 2 277.412 0.742 20 30 CCEDLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329303642 389155383 /nfs/dbraw/zinc/15/53/83/389155383.db2.gz OAHYVYZUAFHLSJ-JTQLQIEISA-N 2 2 263.345 0.660 20 30 CCEDLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329303642 389155385 /nfs/dbraw/zinc/15/53/85/389155385.db2.gz OAHYVYZUAFHLSJ-JTQLQIEISA-N 2 2 263.345 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123694712 389157163 /nfs/dbraw/zinc/15/71/63/389157163.db2.gz YPAJFAPXYFMOQL-NWDGAFQWSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123694712 389157165 /nfs/dbraw/zinc/15/71/65/389157165.db2.gz YPAJFAPXYFMOQL-NWDGAFQWSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123694712 389157166 /nfs/dbraw/zinc/15/71/66/389157166.db2.gz YPAJFAPXYFMOQL-NWDGAFQWSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123694712 389157168 /nfs/dbraw/zinc/15/71/68/389157168.db2.gz YPAJFAPXYFMOQL-NWDGAFQWSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123694510 389157178 /nfs/dbraw/zinc/15/71/78/389157178.db2.gz YPAJFAPXYFMOQL-VXGBXAGGSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123694510 389157180 /nfs/dbraw/zinc/15/71/80/389157180.db2.gz YPAJFAPXYFMOQL-VXGBXAGGSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123694510 389157181 /nfs/dbraw/zinc/15/71/81/389157181.db2.gz YPAJFAPXYFMOQL-VXGBXAGGSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123694510 389157182 /nfs/dbraw/zinc/15/71/82/389157182.db2.gz YPAJFAPXYFMOQL-VXGBXAGGSA-N 2 2 282.388 0.413 20 30 CCEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000329476988 389165927 /nfs/dbraw/zinc/16/59/27/389165927.db2.gz PQXHEXKRVNOFRJ-AWEZNQCLSA-N 2 2 297.447 0.222 20 30 CCEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000329476988 389165929 /nfs/dbraw/zinc/16/59/29/389165929.db2.gz PQXHEXKRVNOFRJ-AWEZNQCLSA-N 2 2 297.447 0.222 20 30 CCEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@H]21 ZINC000248062124 389243901 /nfs/dbraw/zinc/24/39/01/389243901.db2.gz LXPMXJOTWIMPOS-VXGBXAGGSA-N 2 2 250.346 0.042 20 30 CCEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@H]21 ZINC000248062124 389243904 /nfs/dbraw/zinc/24/39/04/389243904.db2.gz LXPMXJOTWIMPOS-VXGBXAGGSA-N 2 2 250.346 0.042 20 30 CCEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@H]21 ZINC000248062124 389243907 /nfs/dbraw/zinc/24/39/07/389243907.db2.gz LXPMXJOTWIMPOS-VXGBXAGGSA-N 2 2 250.346 0.042 20 30 CCEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@H]21 ZINC000248062124 389243909 /nfs/dbraw/zinc/24/39/09/389243909.db2.gz LXPMXJOTWIMPOS-VXGBXAGGSA-N 2 2 250.346 0.042 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000329952174 389213594 /nfs/dbraw/zinc/21/35/94/389213594.db2.gz IQYGXCHRLJAVDC-WDNDVIMCSA-N 2 2 296.415 0.161 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247031595 389234881 /nfs/dbraw/zinc/23/48/81/389234881.db2.gz REKXIXYQDWBBJF-OLZOCXBDSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247031595 389234883 /nfs/dbraw/zinc/23/48/83/389234883.db2.gz REKXIXYQDWBBJF-OLZOCXBDSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247031595 389234885 /nfs/dbraw/zinc/23/48/85/389234885.db2.gz REKXIXYQDWBBJF-OLZOCXBDSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247031595 389234889 /nfs/dbraw/zinc/23/48/89/389234889.db2.gz REKXIXYQDWBBJF-OLZOCXBDSA-N 2 2 251.374 0.398 20 30 CCEDLP C[NH+](C)CC(=O)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000345711516 389313268 /nfs/dbraw/zinc/31/32/68/389313268.db2.gz MTFUCZJIDHJVHN-UHFFFAOYSA-N 2 2 266.389 0.632 20 30 CCEDLP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000264083910 389305733 /nfs/dbraw/zinc/30/57/33/389305733.db2.gz IGVIWBPMRHSELK-CYBMUJFWSA-N 2 2 278.356 0.752 20 30 CCEDLP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000264083910 389305736 /nfs/dbraw/zinc/30/57/36/389305736.db2.gz IGVIWBPMRHSELK-CYBMUJFWSA-N 2 2 278.356 0.752 20 30 CCEDLP CN(C)C(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000170910090 389467445 /nfs/dbraw/zinc/46/74/45/389467445.db2.gz RBECVEICISJKSD-UHFFFAOYSA-N 2 2 252.387 0.983 20 30 CCEDLP CN(C)C(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000170910090 389467448 /nfs/dbraw/zinc/46/74/48/389467448.db2.gz RBECVEICISJKSD-UHFFFAOYSA-N 2 2 252.387 0.983 20 30 CCEDLP CC#CC[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411772212 389447779 /nfs/dbraw/zinc/44/77/79/389447779.db2.gz QKIDIZGKAQKOOP-UHFFFAOYSA-N 2 2 265.401 0.931 20 30 CCEDLP CC#CC[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411772212 389447780 /nfs/dbraw/zinc/44/77/80/389447780.db2.gz QKIDIZGKAQKOOP-UHFFFAOYSA-N 2 2 265.401 0.931 20 30 CCEDLP C=CCC[C@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000351609266 389632399 /nfs/dbraw/zinc/63/23/99/389632399.db2.gz QXUWNHVAITVJBF-AWEZNQCLSA-N 2 2 256.390 0.702 20 30 CCEDLP C=CCC[C@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000351609266 389632405 /nfs/dbraw/zinc/63/24/05/389632405.db2.gz QXUWNHVAITVJBF-AWEZNQCLSA-N 2 2 256.390 0.702 20 30 CCEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567148794 390675435 /nfs/dbraw/zinc/67/54/35/390675435.db2.gz SNEIHNBOHFZMET-MJBXVCDLSA-N 2 2 296.415 0.252 20 30 CCEDLP C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567148794 390675438 /nfs/dbraw/zinc/67/54/38/390675438.db2.gz SNEIHNBOHFZMET-MJBXVCDLSA-N 2 2 296.415 0.252 20 30 CCEDLP N#Cc1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000571582610 390743429 /nfs/dbraw/zinc/74/34/29/390743429.db2.gz VNNJMEKRGSYPHN-UONOGXRCSA-N 2 2 270.336 0.302 20 30 CCEDLP N#Cc1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000571582610 390743431 /nfs/dbraw/zinc/74/34/31/390743431.db2.gz VNNJMEKRGSYPHN-UONOGXRCSA-N 2 2 270.336 0.302 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918007 397392264 /nfs/dbraw/zinc/39/22/64/397392264.db2.gz CBAIXBZIQSAFDB-OLZOCXBDSA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918007 397392269 /nfs/dbraw/zinc/39/22/69/397392269.db2.gz CBAIXBZIQSAFDB-OLZOCXBDSA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662324249 414709629 /nfs/dbraw/zinc/70/96/29/414709629.db2.gz SSYVQSFQOFHFQQ-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662324249 414709630 /nfs/dbraw/zinc/70/96/30/414709630.db2.gz SSYVQSFQOFHFQQ-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C[NH+](C)CC(=O)N1CC[NH+](CCCCC#N)CC1 ZINC000069607391 260280340 /nfs/dbraw/zinc/28/03/40/260280340.db2.gz LKFNUFKNDIRRMI-UHFFFAOYSA-N 2 2 252.362 0.386 20 30 CCEDLP CCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1C ZINC000264125117 262876369 /nfs/dbraw/zinc/87/63/69/262876369.db2.gz WCOBQQXMJPEJTI-UHFFFAOYSA-N 2 2 258.329 1.000 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000334045395 264228272 /nfs/dbraw/zinc/22/82/72/264228272.db2.gz VMOICILZDKPCCW-OLZOCXBDSA-N 2 2 296.415 0.803 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000334045395 264228274 /nfs/dbraw/zinc/22/82/74/264228274.db2.gz VMOICILZDKPCCW-OLZOCXBDSA-N 2 2 296.415 0.803 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000334045395 264228276 /nfs/dbraw/zinc/22/82/76/264228276.db2.gz VMOICILZDKPCCW-OLZOCXBDSA-N 2 2 296.415 0.803 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000334045395 264228277 /nfs/dbraw/zinc/22/82/77/264228277.db2.gz VMOICILZDKPCCW-OLZOCXBDSA-N 2 2 296.415 0.803 20 30 CCEDLP CC(C)(CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000161473680 264287704 /nfs/dbraw/zinc/28/77/04/264287704.db2.gz YPNOKYIFFCQDAB-LBPRGKRZSA-N 2 2 284.404 0.181 20 30 CCEDLP C=CC[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000349741120 265207823 /nfs/dbraw/zinc/20/78/23/265207823.db2.gz BFLFBVHWMFIEKC-INIZCTEOSA-N 2 2 297.443 0.310 20 30 CCEDLP C=CC[C@@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000349741120 265207827 /nfs/dbraw/zinc/20/78/27/265207827.db2.gz BFLFBVHWMFIEKC-INIZCTEOSA-N 2 2 297.443 0.310 20 30 CCEDLP CCN(CC)C(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000262552003 328150676 /nfs/dbraw/zinc/15/06/76/328150676.db2.gz YXBYVWWLLJRVPP-UHFFFAOYSA-N 2 2 252.366 0.643 20 30 CCEDLP C=C[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340250773 328250934 /nfs/dbraw/zinc/25/09/34/328250934.db2.gz FWCCHTJQBDUCDM-GFCCVEGCSA-N 2 2 268.405 0.886 20 30 CCEDLP C[C@H]([C@H](C)NC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424157109 330304734 /nfs/dbraw/zinc/30/47/34/330304734.db2.gz PFBAXEJSQIHNQI-YNEHKIRRSA-N 2 2 282.388 0.233 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)CCSC)CC1 ZINC000490841606 332119594 /nfs/dbraw/zinc/11/95/94/332119594.db2.gz WCPFXXIUWHHEMR-AWEZNQCLSA-N 2 2 297.468 0.837 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)CCSC)CC1 ZINC000490841606 332119595 /nfs/dbraw/zinc/11/95/95/332119595.db2.gz WCPFXXIUWHHEMR-AWEZNQCLSA-N 2 2 297.468 0.837 20 30 CCEDLP C#CC[N@@H+](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000490842103 332119927 /nfs/dbraw/zinc/11/99/27/332119927.db2.gz YMUYMLKOFXOUKN-UHFFFAOYSA-N 2 2 281.400 0.169 20 30 CCEDLP C#CC[N@H+](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000490842103 332119928 /nfs/dbraw/zinc/11/99/28/332119928.db2.gz YMUYMLKOFXOUKN-UHFFFAOYSA-N 2 2 281.400 0.169 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CC)CC1 ZINC000491040530 332141932 /nfs/dbraw/zinc/14/19/32/332141932.db2.gz UMIPONGRTXPHCP-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CC)CC1 ZINC000491040530 332141933 /nfs/dbraw/zinc/14/19/33/332141933.db2.gz UMIPONGRTXPHCP-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000491046210 332142856 /nfs/dbraw/zinc/14/28/56/332142856.db2.gz OTMAIVORXWSTDQ-AWEZNQCLSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000491631676 332254154 /nfs/dbraw/zinc/25/41/54/332254154.db2.gz YSTJMAGQWHUGSN-ZFWWWQNUSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000491631676 332254156 /nfs/dbraw/zinc/25/41/56/332254156.db2.gz YSTJMAGQWHUGSN-ZFWWWQNUSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000491631676 332254158 /nfs/dbraw/zinc/25/41/58/332254158.db2.gz YSTJMAGQWHUGSN-ZFWWWQNUSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000491631676 332254159 /nfs/dbraw/zinc/25/41/59/332254159.db2.gz YSTJMAGQWHUGSN-ZFWWWQNUSA-N 2 2 263.385 0.542 20 30 CCEDLP C#C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000491745475 332323102 /nfs/dbraw/zinc/32/31/02/332323102.db2.gz WYANNGWRZBKTGJ-HNNXBMFYSA-N 2 2 294.443 0.969 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581127438 336012012 /nfs/dbraw/zinc/01/20/12/336012012.db2.gz TZIGLSQWFGFKDP-QRJUGERDSA-N 2 2 298.427 0.637 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581127438 336012014 /nfs/dbraw/zinc/01/20/14/336012014.db2.gz TZIGLSQWFGFKDP-QRJUGERDSA-N 2 2 298.427 0.637 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000783645243 581354363 /nfs/dbraw/zinc/35/43/63/581354363.db2.gz FTFNATDEDGEYQW-HNNXBMFYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000731054640 581752089 /nfs/dbraw/zinc/75/20/89/581752089.db2.gz JAHUYMYLAOTQST-GJZGRUSLSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000731054640 581752094 /nfs/dbraw/zinc/75/20/94/581752094.db2.gz JAHUYMYLAOTQST-GJZGRUSLSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000731054640 581752098 /nfs/dbraw/zinc/75/20/98/581752098.db2.gz JAHUYMYLAOTQST-GJZGRUSLSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000731054640 581752103 /nfs/dbraw/zinc/75/21/03/581752103.db2.gz JAHUYMYLAOTQST-GJZGRUSLSA-N 2 2 275.396 0.685 20 30 CCEDLP C=CC[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC1 ZINC000771640580 581814844 /nfs/dbraw/zinc/81/48/44/581814844.db2.gz IDNYRRTZWHCQLV-UHFFFAOYSA-N 2 2 292.383 0.611 20 30 CCEDLP C=CC[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC1 ZINC000771640580 581814845 /nfs/dbraw/zinc/81/48/45/581814845.db2.gz IDNYRRTZWHCQLV-UHFFFAOYSA-N 2 2 292.383 0.611 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](OCC)C2)CC1 ZINC000748819397 581988778 /nfs/dbraw/zinc/98/87/78/581988778.db2.gz GNAWPRQAQITXOK-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCC)C2)CC1 ZINC000748819397 581988780 /nfs/dbraw/zinc/98/87/80/581988780.db2.gz GNAWPRQAQITXOK-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCC#N)[C@@H](C)C1 ZINC000750826924 582060526 /nfs/dbraw/zinc/06/05/26/582060526.db2.gz UDEKDDKTKQBCCQ-STQMWFEESA-N 2 2 266.389 0.678 20 30 CCEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCC#N)[C@@H](C)C1 ZINC000750826924 582060529 /nfs/dbraw/zinc/06/05/29/582060529.db2.gz UDEKDDKTKQBCCQ-STQMWFEESA-N 2 2 266.389 0.678 20 30 CCEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCC#N)[C@@H](C)C1 ZINC000750826924 582060531 /nfs/dbraw/zinc/06/05/31/582060531.db2.gz UDEKDDKTKQBCCQ-STQMWFEESA-N 2 2 266.389 0.678 20 30 CCEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCC#N)[C@@H](C)C1 ZINC000750826924 582060535 /nfs/dbraw/zinc/06/05/35/582060535.db2.gz UDEKDDKTKQBCCQ-STQMWFEESA-N 2 2 266.389 0.678 20 30 CCEDLP C#CCOCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708084 612982691 /nfs/dbraw/zinc/98/26/91/612982691.db2.gz QFMORAVFADIKKR-AWEZNQCLSA-N 2 2 252.358 0.167 20 30 CCEDLP C#CCOCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708084 612982692 /nfs/dbraw/zinc/98/26/92/612982692.db2.gz QFMORAVFADIKKR-AWEZNQCLSA-N 2 2 252.358 0.167 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000981551840 612957368 /nfs/dbraw/zinc/95/73/68/612957368.db2.gz ZUPTVULDALVUCE-CHWSQXEVSA-N 2 2 260.341 0.533 20 30 CCEDLP C#CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000843076646 613029894 /nfs/dbraw/zinc/02/98/94/613029894.db2.gz IWXKPZIWAVFPCM-JKSUJKDBSA-N 2 2 276.380 0.453 20 30 CCEDLP C#CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000843076646 613029896 /nfs/dbraw/zinc/02/98/96/613029896.db2.gz IWXKPZIWAVFPCM-JKSUJKDBSA-N 2 2 276.380 0.453 20 30 CCEDLP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](C)CC1 ZINC000886577807 613065777 /nfs/dbraw/zinc/06/57/77/613065777.db2.gz YAMBCGQPYBKSNG-UHFFFAOYSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](C)CC1 ZINC000886577807 613065778 /nfs/dbraw/zinc/06/57/78/613065778.db2.gz YAMBCGQPYBKSNG-UHFFFAOYSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[NH+]1CCC(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000928650426 613132271 /nfs/dbraw/zinc/13/22/71/613132271.db2.gz BRJLAWVIKQEOMS-ONEGZZNKSA-N 2 2 291.395 0.089 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948874471 613178704 /nfs/dbraw/zinc/17/87/04/613178704.db2.gz YCDSCVFQXZIMHR-ZDUSSCGKSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948874471 613178706 /nfs/dbraw/zinc/17/87/06/613178706.db2.gz YCDSCVFQXZIMHR-ZDUSSCGKSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000884083540 613187514 /nfs/dbraw/zinc/18/75/14/613187514.db2.gz RDFPSNRXPOXTAP-KGLIPLIRSA-N 2 2 289.383 0.668 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000884083540 613187515 /nfs/dbraw/zinc/18/75/15/613187515.db2.gz RDFPSNRXPOXTAP-KGLIPLIRSA-N 2 2 289.383 0.668 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847938110 613196401 /nfs/dbraw/zinc/19/64/01/613196401.db2.gz CPJAQLZTVOPFIS-ZDUSSCGKSA-N 2 2 287.367 0.156 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847938110 613196402 /nfs/dbraw/zinc/19/64/02/613196402.db2.gz CPJAQLZTVOPFIS-ZDUSSCGKSA-N 2 2 287.367 0.156 20 30 CCEDLP C[NH+]=C(NCCc1cn(C)c[nH+]1)NCc1ccco1 ZINC000849040045 613219920 /nfs/dbraw/zinc/21/99/20/613219920.db2.gz HDJHRXCCKQVNIQ-UHFFFAOYSA-N 2 2 261.329 0.921 20 30 CCEDLP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968699711 613252585 /nfs/dbraw/zinc/25/25/85/613252585.db2.gz YYYGDGPGWCIAIN-QWHCGFSZSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968699711 613252586 /nfs/dbraw/zinc/25/25/86/613252586.db2.gz YYYGDGPGWCIAIN-QWHCGFSZSA-N 2 2 260.341 0.343 20 30 CCEDLP C=C(C)C[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754728 613315950 /nfs/dbraw/zinc/31/59/50/613315950.db2.gz UJFGEILGHJNGAQ-UHFFFAOYSA-N 2 2 281.400 0.429 20 30 CCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960630799 613316904 /nfs/dbraw/zinc/31/69/04/613316904.db2.gz PTBGTDWFINMCIB-SPWCGHHHSA-N 2 2 284.363 0.125 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960630799 613316906 /nfs/dbraw/zinc/31/69/06/613316906.db2.gz PTBGTDWFINMCIB-SPWCGHHHSA-N 2 2 284.363 0.125 20 30 CCEDLP C=C(C)CNC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849279969 613346806 /nfs/dbraw/zinc/34/68/06/613346806.db2.gz MYBMWHBRLNDTBP-UHFFFAOYSA-N 2 2 272.462 0.910 20 30 CCEDLP C=C(C)CNC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849279969 613346807 /nfs/dbraw/zinc/34/68/07/613346807.db2.gz MYBMWHBRLNDTBP-UHFFFAOYSA-N 2 2 272.462 0.910 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000913809599 613364720 /nfs/dbraw/zinc/36/47/20/613364720.db2.gz RTAOKPUEPWEKJO-CQSZACIVSA-N 2 2 283.416 0.721 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000913809599 613364721 /nfs/dbraw/zinc/36/47/21/613364721.db2.gz RTAOKPUEPWEKJO-CQSZACIVSA-N 2 2 283.416 0.721 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928646712 613365536 /nfs/dbraw/zinc/36/55/36/613365536.db2.gz DJVFUAQYWBRHRF-CQSZACIVSA-N 2 2 283.416 0.721 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000876756777 613390316 /nfs/dbraw/zinc/39/03/16/613390316.db2.gz YCMGSAYEMBNVHJ-WOPDTQHZSA-N 2 2 289.807 0.682 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@H+]2CCOC[C@H]2CC)CCC[NH2+]1 ZINC000877432373 613422999 /nfs/dbraw/zinc/42/29/99/613422999.db2.gz CLXYEYLNJMKALI-GDBMZVCRSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2CC)CCC[NH2+]1 ZINC000877432373 613423000 /nfs/dbraw/zinc/42/30/00/613423000.db2.gz CLXYEYLNJMKALI-GDBMZVCRSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000949830470 613478435 /nfs/dbraw/zinc/47/84/35/613478435.db2.gz NVFYBDNGJCXPGV-CQSZACIVSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000949830470 613478437 /nfs/dbraw/zinc/47/84/37/613478437.db2.gz NVFYBDNGJCXPGV-CQSZACIVSA-N 2 2 281.400 0.426 20 30 CCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970905474 613530400 /nfs/dbraw/zinc/53/04/00/613530400.db2.gz VWBCDDWUGXYUPI-HIFRSBDPSA-N 2 2 293.411 0.167 20 30 CCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970905474 613530403 /nfs/dbraw/zinc/53/04/03/613530403.db2.gz VWBCDDWUGXYUPI-HIFRSBDPSA-N 2 2 293.411 0.167 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977455204 613608920 /nfs/dbraw/zinc/60/89/20/613608920.db2.gz RORWHVNUKKWKQP-CQSZACIVSA-N 2 2 288.395 0.813 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977455204 613608925 /nfs/dbraw/zinc/60/89/25/613608925.db2.gz RORWHVNUKKWKQP-CQSZACIVSA-N 2 2 288.395 0.813 20 30 CCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972553165 613726433 /nfs/dbraw/zinc/72/64/33/613726433.db2.gz AOWGBNSQQQRCCM-GOEBONIOSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972553165 613726438 /nfs/dbraw/zinc/72/64/38/613726438.db2.gz AOWGBNSQQQRCCM-GOEBONIOSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000884300323 613878231 /nfs/dbraw/zinc/87/82/31/613878231.db2.gz WBSZGAHAOHOHDW-NEPJUHHUSA-N 2 2 283.372 0.081 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000884227011 613878473 /nfs/dbraw/zinc/87/84/73/613878473.db2.gz GHAMPXLBJJSNAH-RYUDHWBXSA-N 2 2 299.415 0.526 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000884398914 613878735 /nfs/dbraw/zinc/87/87/35/613878735.db2.gz QRONNKCAYYOQMU-RYUDHWBXSA-N 2 2 297.399 0.422 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000884398914 613878736 /nfs/dbraw/zinc/87/87/36/613878736.db2.gz QRONNKCAYYOQMU-RYUDHWBXSA-N 2 2 297.399 0.422 20 30 CCEDLP CC[C@@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](C)CC1 ZINC000878698871 615470576 /nfs/dbraw/zinc/47/05/76/615470576.db2.gz IWWDNPWMMPXHJI-NSHDSACASA-N 2 2 252.362 0.479 20 30 CCEDLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000877433653 615568017 /nfs/dbraw/zinc/56/80/17/615568017.db2.gz GUIFPKVRQJCGIZ-KGLIPLIRSA-N 2 2 296.415 0.625 20 30 CCEDLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000877433653 615568018 /nfs/dbraw/zinc/56/80/18/615568018.db2.gz GUIFPKVRQJCGIZ-KGLIPLIRSA-N 2 2 296.415 0.625 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000913520928 615859430 /nfs/dbraw/zinc/85/94/30/615859430.db2.gz DPAHSSGCKGZSCK-HNNXBMFYSA-N 2 2 293.411 0.311 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000913520928 615859432 /nfs/dbraw/zinc/85/94/32/615859432.db2.gz DPAHSSGCKGZSCK-HNNXBMFYSA-N 2 2 293.411 0.311 20 30 CCEDLP C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876789847 616228896 /nfs/dbraw/zinc/22/88/96/616228896.db2.gz LBXAMKOAHJGSJW-HNNXBMFYSA-N 2 2 284.363 0.519 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020819147 624606664 /nfs/dbraw/zinc/60/66/64/624606664.db2.gz PTBMYVXWPGOWPW-MGCOHNPYSA-N 2 2 268.748 0.942 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302893 624917657 /nfs/dbraw/zinc/91/76/57/624917657.db2.gz SASIHEJJOXUGRC-RWMBFGLXSA-N 2 2 274.368 0.868 20 30 CCEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027631784 630814642 /nfs/dbraw/zinc/81/46/42/630814642.db2.gz AJCVSFHKJGZFNH-GFCCVEGCSA-N 2 2 260.341 0.508 20 30 CCEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027631784 630814648 /nfs/dbraw/zinc/81/46/48/630814648.db2.gz AJCVSFHKJGZFNH-GFCCVEGCSA-N 2 2 260.341 0.508 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC[C@@]1(C)CCCO1 ZINC000261810910 631626380 /nfs/dbraw/zinc/62/63/80/631626380.db2.gz SMHLHYLBTNHSQM-CYBMUJFWSA-N 2 2 265.361 0.617 20 30 CCEDLP C[NH+]=C(NC1CCC1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261943713 631716972 /nfs/dbraw/zinc/71/69/72/631716972.db2.gz FDBGDCRIEGMISI-UHFFFAOYSA-N 2 2 295.431 0.210 20 30 CCEDLP [NH2+]=C(NCC[NH+]1CCSCC1)N1CCSCC1 ZINC000262526348 632490772 /nfs/dbraw/zinc/49/07/72/632490772.db2.gz LBDVUSADQQBHGO-UHFFFAOYSA-N 2 2 274.459 0.399 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007623472 650086446 /nfs/dbraw/zinc/08/64/46/650086446.db2.gz JDKBIAXGFCUULC-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007623472 650086448 /nfs/dbraw/zinc/08/64/48/650086448.db2.gz JDKBIAXGFCUULC-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001007623472 650086450 /nfs/dbraw/zinc/08/64/50/650086450.db2.gz JDKBIAXGFCUULC-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001007623472 650086453 /nfs/dbraw/zinc/08/64/53/650086453.db2.gz JDKBIAXGFCUULC-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000987440939 632867588 /nfs/dbraw/zinc/86/75/88/632867588.db2.gz NQDCQWPEQIYNLF-JSGCOSHPSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989675800 633342840 /nfs/dbraw/zinc/34/28/40/633342840.db2.gz MPDHOMPHCAMJKD-NWDGAFQWSA-N 2 2 260.341 0.175 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000995890805 638804648 /nfs/dbraw/zinc/80/46/48/638804648.db2.gz ICMZWGVUIPKMTH-ZDUSSCGKSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000995890805 638804649 /nfs/dbraw/zinc/80/46/49/638804649.db2.gz ICMZWGVUIPKMTH-ZDUSSCGKSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996462320 638819441 /nfs/dbraw/zinc/81/94/41/638819441.db2.gz SVLUEFVQJWBZND-LLVKDONJSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996516223 638821264 /nfs/dbraw/zinc/82/12/64/638821264.db2.gz YJPJDLHXGFLTHE-CYBMUJFWSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999005668 638954979 /nfs/dbraw/zinc/95/49/79/638954979.db2.gz ULLWSZCPYWIFHH-IYXRBSQSSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999687730 638992780 /nfs/dbraw/zinc/99/27/80/638992780.db2.gz HWMMEHLCPPOBCD-UHFFFAOYSA-N 2 2 260.341 0.175 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCF)CC1 ZINC001005518951 639915431 /nfs/dbraw/zinc/91/54/31/639915431.db2.gz PMFPCIAMFSBXRS-HNNXBMFYSA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016339909 650719662 /nfs/dbraw/zinc/71/96/62/650719662.db2.gz SEKDKUMYVNFYBU-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001016339909 650719663 /nfs/dbraw/zinc/71/96/63/650719663.db2.gz SEKDKUMYVNFYBU-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001016339909 650719664 /nfs/dbraw/zinc/71/96/64/650719664.db2.gz SEKDKUMYVNFYBU-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001016339909 650719665 /nfs/dbraw/zinc/71/96/65/650719665.db2.gz SEKDKUMYVNFYBU-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001017559912 650810597 /nfs/dbraw/zinc/81/05/97/650810597.db2.gz WXZIUTCAKZKAKU-XHSDSOJGSA-N 2 2 287.407 0.637 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001017559912 650810599 /nfs/dbraw/zinc/81/05/99/650810599.db2.gz WXZIUTCAKZKAKU-XHSDSOJGSA-N 2 2 287.407 0.637 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001018214901 650848218 /nfs/dbraw/zinc/84/82/18/650848218.db2.gz YAIGBCZDDYQUAI-OKILXGFUSA-N 2 2 286.379 0.959 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001018214901 650848220 /nfs/dbraw/zinc/84/82/20/650848220.db2.gz YAIGBCZDDYQUAI-OKILXGFUSA-N 2 2 286.379 0.959 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001018271064 650851263 /nfs/dbraw/zinc/85/12/63/650851263.db2.gz QVBJONKKXLTHGD-MELADBBJSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001018271064 650851264 /nfs/dbraw/zinc/85/12/64/650851264.db2.gz QVBJONKKXLTHGD-MELADBBJSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001018271064 650851267 /nfs/dbraw/zinc/85/12/67/650851267.db2.gz QVBJONKKXLTHGD-MELADBBJSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001018271064 650851270 /nfs/dbraw/zinc/85/12/70/650851270.db2.gz QVBJONKKXLTHGD-MELADBBJSA-N 2 2 261.369 0.247 20 30 CCEDLP N#CCNC(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569186 647232298 /nfs/dbraw/zinc/23/22/98/647232298.db2.gz JIGRIVYMYJAWAS-AWEZNQCLSA-N 2 2 283.335 0.854 20 30 CCEDLP C[C@@H]1CCCN(C(=[NH2+])NCC[N@@H+]2CCCOCC2)C1 ZINC000187856360 649336783 /nfs/dbraw/zinc/33/67/83/649336783.db2.gz HAZXLFLUILOIAX-CYBMUJFWSA-N 2 2 268.405 0.755 20 30 CCEDLP C[C@@H]1CCCN(C(=[NH2+])NCC[N@H+]2CCCOCC2)C1 ZINC000187856360 649336787 /nfs/dbraw/zinc/33/67/87/649336787.db2.gz HAZXLFLUILOIAX-CYBMUJFWSA-N 2 2 268.405 0.755 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001266767432 791224328 /nfs/dbraw/zinc/22/43/28/791224328.db2.gz NLHRQLSQJARFME-CQSZACIVSA-N 2 2 288.395 0.814 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001267049229 791479625 /nfs/dbraw/zinc/47/96/25/791479625.db2.gz BZGQQDXERXJFNA-AWEZNQCLSA-N 2 2 288.395 0.814 20 30 CCEDLP CC#CC[N@H+](C)CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001267221287 791694446 /nfs/dbraw/zinc/69/44/46/791694446.db2.gz AYQISYGLLCMPKJ-UHFFFAOYSA-N 2 2 295.427 0.560 20 30 CCEDLP CC#CC[N@@H+](C)CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001267221287 791694449 /nfs/dbraw/zinc/69/44/49/791694449.db2.gz AYQISYGLLCMPKJ-UHFFFAOYSA-N 2 2 295.427 0.560 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001277883979 806299311 /nfs/dbraw/zinc/29/93/11/806299311.db2.gz UNUXQAPGTQLMON-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP N#Cc1cnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c(C#N)c1 ZINC001155371867 800961732 /nfs/dbraw/zinc/96/17/32/800961732.db2.gz DHPYSMFZYYBCGU-OAHLLOKOSA-N 2 2 296.378 0.684 20 30 CCEDLP N#Cc1ncc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1C#N ZINC001158266244 801610164 /nfs/dbraw/zinc/61/01/64/801610164.db2.gz BVWCFKXIGFKLMH-NSHDSACASA-N 2 2 297.366 0.222 20 30 CCEDLP 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RLRWZKIVIXRTHX-NEPJUHHUSA-N 2 2 275.352 0.749 20 30 CCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001331942334 917738503 /nfs/dbraw/zinc/73/85/03/917738503.db2.gz AXRKKGTVRZQQRH-KGLIPLIRSA-N 2 2 292.383 0.665 20 30 CCEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001332456410 918172942 /nfs/dbraw/zinc/17/29/42/918172942.db2.gz WNYCQTVYKSEJTH-GFCCVEGCSA-N 2 2 260.341 0.658 20 30 CCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001332648726 918351672 /nfs/dbraw/zinc/35/16/72/918351672.db2.gz RSRLOHMCFNLCNU-CYBMUJFWSA-N 2 2 280.372 0.210 20 30 CCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001332648726 918351685 /nfs/dbraw/zinc/35/16/85/918351685.db2.gz RSRLOHMCFNLCNU-CYBMUJFWSA-N 2 2 280.372 0.210 20 30 CCEDLP C#CC[NH2+]CC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001341412603 922475284 /nfs/dbraw/zinc/47/52/84/922475284.db2.gz AEDYTEGUWKIDQV-BETUJISGSA-N 2 2 281.400 0.213 20 30 CCEDLP C#CC[NH2+]CC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001341412603 922475293 /nfs/dbraw/zinc/47/52/93/922475293.db2.gz AEDYTEGUWKIDQV-BETUJISGSA-N 2 2 281.400 0.213 20 30 CCEDLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC001342949760 923144312 /nfs/dbraw/zinc/14/43/12/923144312.db2.gz DKZPCRFLGFKEDX-KBPBESRZSA-N 2 2 296.415 0.577 20 30 CCEDLP C#CC[N@@H+](CC[C@@H](C)O)C1CC[NH+](CC[C@H](C)O)CC1 ZINC001352935497 925676971 /nfs/dbraw/zinc/67/69/71/925676971.db2.gz OCHJCOCDDKHEEG-LSDHHAIUSA-N 2 2 282.428 0.928 20 30 CCEDLP C#CC[N@H+](CC[C@@H](C)O)C1CC[NH+](CC[C@H](C)O)CC1 ZINC001352935497 925676974 /nfs/dbraw/zinc/67/69/74/925676974.db2.gz OCHJCOCDDKHEEG-LSDHHAIUSA-N 2 2 282.428 0.928 20 30 CCEDLP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001426030236 928735935 /nfs/dbraw/zinc/73/59/35/928735935.db2.gz GOAYXZJPOLWHIZ-NSHDSACASA-N 2 2 286.763 0.114 20 30 CCEDLP N#CC1(NC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000107576857 349739017 /nfs/dbraw/zinc/73/90/17/349739017.db2.gz PKVDHFQWDUBMQC-BETUJISGSA-N 2 2 276.384 0.480 20 30 CCEDLP N#CC1(NC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000107576857 349739020 /nfs/dbraw/zinc/73/90/20/349739020.db2.gz PKVDHFQWDUBMQC-BETUJISGSA-N 2 2 276.384 0.480 20 30 CCEDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000358150570 529810010 /nfs/dbraw/zinc/81/00/10/529810010.db2.gz AUTBSZUYVRWXKX-LBPRGKRZSA-N 2 2 251.355 0.776 20 30 CCEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000358150570 529810011 /nfs/dbraw/zinc/81/00/11/529810011.db2.gz AUTBSZUYVRWXKX-LBPRGKRZSA-N 2 2 251.355 0.776 20 30 CCEDLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCC[C@H]1C#N ZINC000602601026 362705780 /nfs/dbraw/zinc/70/57/80/362705780.db2.gz ILIFOOWBUKSMRH-SRVKXCTJSA-N 2 2 252.362 0.416 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)CC#N)CC1 ZINC000602865643 362848804 /nfs/dbraw/zinc/84/88/04/362848804.db2.gz XAVBPMDXQDNLDZ-NWDGAFQWSA-N 2 2 252.362 0.431 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889826 362868469 /nfs/dbraw/zinc/86/84/69/362868469.db2.gz DXHMBILTSLZOMD-ZFWWWQNUSA-N 2 2 296.415 0.135 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889826 362868476 /nfs/dbraw/zinc/86/84/76/362868476.db2.gz DXHMBILTSLZOMD-ZFWWWQNUSA-N 2 2 296.415 0.135 20 30 CCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000226043743 352018743 /nfs/dbraw/zinc/01/87/43/352018743.db2.gz XYRMLWGVFZQFCD-LSDHHAIUSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000226043743 352018744 /nfs/dbraw/zinc/01/87/44/352018744.db2.gz XYRMLWGVFZQFCD-LSDHHAIUSA-N 2 2 289.379 0.982 20 30 CCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603833319 363161645 /nfs/dbraw/zinc/16/16/45/363161645.db2.gz FYFBHURUPVKKTG-UKTARXLSSA-N 2 2 278.400 0.581 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000330277960 354315185 /nfs/dbraw/zinc/31/51/85/354315185.db2.gz OZRVKGMKJDJDRF-OLZOCXBDSA-N 2 2 289.383 0.892 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000330277960 354315186 /nfs/dbraw/zinc/31/51/86/354315186.db2.gz OZRVKGMKJDJDRF-OLZOCXBDSA-N 2 2 289.383 0.892 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCC#N)C2)CC1 ZINC000589703054 359399560 /nfs/dbraw/zinc/39/95/60/359399560.db2.gz VQYKSIVVLKUGLL-CYBMUJFWSA-N 2 2 278.400 0.965 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCC#N)C2)CC1 ZINC000589703054 359399563 /nfs/dbraw/zinc/39/95/63/359399563.db2.gz VQYKSIVVLKUGLL-CYBMUJFWSA-N 2 2 278.400 0.965 20 30 CCEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441241 360310387 /nfs/dbraw/zinc/31/03/87/360310387.db2.gz PMZNQTQMYOHVRR-VXGBXAGGSA-N 2 2 263.345 0.799 20 30 CCEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595256796 360461046 /nfs/dbraw/zinc/46/10/46/360461046.db2.gz SNXDWQLTHACZAT-KGLIPLIRSA-N 2 2 294.399 0.331 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631834866 370700226 /nfs/dbraw/zinc/70/02/26/370700226.db2.gz HJEIBAXPKLHIBJ-QWHCGFSZSA-N 2 2 251.374 0.977 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631834866 370700232 /nfs/dbraw/zinc/70/02/32/370700232.db2.gz HJEIBAXPKLHIBJ-QWHCGFSZSA-N 2 2 251.374 0.977 20 30 CCEDLP C=CCOCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625545098 368237681 /nfs/dbraw/zinc/23/76/81/368237681.db2.gz MDRFJBGFDKDZQN-UHFFFAOYSA-N 2 2 254.374 0.986 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569308 369714778 /nfs/dbraw/zinc/71/47/78/369714778.db2.gz WTGXJPDMLOFOAH-VHSXEESVSA-N 2 2 279.306 0.748 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569308 369714783 /nfs/dbraw/zinc/71/47/83/369714783.db2.gz WTGXJPDMLOFOAH-VHSXEESVSA-N 2 2 279.306 0.748 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H](C)C2)CC1 ZINC000491020172 261297553 /nfs/dbraw/zinc/29/75/53/261297553.db2.gz FIKNVXABRDJFOW-HNNXBMFYSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H](C)C2)CC1 ZINC000491020172 261297556 /nfs/dbraw/zinc/29/75/56/261297556.db2.gz FIKNVXABRDJFOW-HNNXBMFYSA-N 2 2 277.412 0.886 20 30 CCEDLP C=CCOCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000293825996 388988703 /nfs/dbraw/zinc/98/87/03/388988703.db2.gz PKDATOGEJJBXKF-UHFFFAOYSA-N 2 2 250.346 0.745 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123694943 389156843 /nfs/dbraw/zinc/15/68/43/389156843.db2.gz YPAJFAPXYFMOQL-NEPJUHHUSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123694943 389156844 /nfs/dbraw/zinc/15/68/44/389156844.db2.gz YPAJFAPXYFMOQL-NEPJUHHUSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123694943 389156847 /nfs/dbraw/zinc/15/68/47/389156847.db2.gz YPAJFAPXYFMOQL-NEPJUHHUSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123694943 389156849 /nfs/dbraw/zinc/15/68/49/389156849.db2.gz YPAJFAPXYFMOQL-NEPJUHHUSA-N 2 2 282.388 0.413 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CC)C2)CC1 ZINC000125810088 389167061 /nfs/dbraw/zinc/16/70/61/389167061.db2.gz RCYWSDJIUCYIQR-CQSZACIVSA-N 2 2 263.385 0.496 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CC)C2)CC1 ZINC000125810088 389167062 /nfs/dbraw/zinc/16/70/62/389167062.db2.gz RCYWSDJIUCYIQR-CQSZACIVSA-N 2 2 263.385 0.496 20 30 CCEDLP C=CCC[C@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000128148879 389176291 /nfs/dbraw/zinc/17/62/91/389176291.db2.gz LHIFVVZMHGKGOG-AWEZNQCLSA-N 2 2 278.400 0.865 20 30 CCEDLP CC#CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000135337499 389255676 /nfs/dbraw/zinc/25/56/76/389255676.db2.gz LRMGKXPJGWQQAA-UHFFFAOYSA-N 2 2 292.427 0.868 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000245455324 389208595 /nfs/dbraw/zinc/20/85/95/389208595.db2.gz SKZPHMFIGZSLDH-CHWSQXEVSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000245455324 389208596 /nfs/dbraw/zinc/20/85/96/389208596.db2.gz SKZPHMFIGZSLDH-CHWSQXEVSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245455324 389208598 /nfs/dbraw/zinc/20/85/98/389208598.db2.gz SKZPHMFIGZSLDH-CHWSQXEVSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245455324 389208599 /nfs/dbraw/zinc/20/85/99/389208599.db2.gz SKZPHMFIGZSLDH-CHWSQXEVSA-N 2 2 296.415 0.660 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCOCC2CC2)CC1 ZINC000130942739 389209337 /nfs/dbraw/zinc/20/93/37/389209337.db2.gz LIJRBKDXTNGAHF-UHFFFAOYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCOCC2CC2)CC1 ZINC000130942739 389209341 /nfs/dbraw/zinc/20/93/41/389209341.db2.gz LIJRBKDXTNGAHF-UHFFFAOYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CCOCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366853171 389311449 /nfs/dbraw/zinc/31/14/49/389311449.db2.gz KFHYOXZKFHEOMU-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCOCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366853171 389311452 /nfs/dbraw/zinc/31/14/52/389311452.db2.gz KFHYOXZKFHEOMU-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP N#CCNC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156324857 389325537 /nfs/dbraw/zinc/32/55/37/389325537.db2.gz BXUZHYUYBREJLC-LBPRGKRZSA-N 2 2 260.297 0.174 20 30 CCEDLP N#CCNC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156324857 389325539 /nfs/dbraw/zinc/32/55/39/389325539.db2.gz BXUZHYUYBREJLC-LBPRGKRZSA-N 2 2 260.297 0.174 20 30 CCEDLP CNC(=O)CNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261953331 389279001 /nfs/dbraw/zinc/27/90/01/389279001.db2.gz IBQSMJUKHJHYJS-NWDGAFQWSA-N 2 2 292.387 0.087 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CCOCC1 ZINC000262747581 389294047 /nfs/dbraw/zinc/29/40/47/389294047.db2.gz ASCRPACMKPJAGF-UHFFFAOYSA-N 2 2 294.403 0.330 20 30 CCEDLP COCCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000264071050 389304705 /nfs/dbraw/zinc/30/47/05/389304705.db2.gz GFOBNVBECVRUCJ-AWEZNQCLSA-N 2 2 294.399 0.849 20 30 CCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000264074022 389304836 /nfs/dbraw/zinc/30/48/36/389304836.db2.gz GUYBNQYMVILVMY-LBPRGKRZSA-N 3 2 264.377 0.272 20 30 CCEDLP CCNC(NCc1c[nH+]c(N(C)C)n1C)=[NH+]CC ZINC000267449618 389371169 /nfs/dbraw/zinc/37/11/69/389371169.db2.gz QXLYVDMQROROMI-UHFFFAOYSA-N 2 2 252.366 0.561 20 30 CCEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCC#N)C[C@@H](C)O1 ZINC000563014003 390492943 /nfs/dbraw/zinc/49/29/43/390492943.db2.gz OKOBYBSZGRERLU-UPJWGTAASA-N 2 2 255.362 0.350 20 30 CCEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC(C)(C)CC#N)C[C@@H](C)O1 ZINC000519387340 390497438 /nfs/dbraw/zinc/49/74/38/390497438.db2.gz CQMNWRXWCGEFOE-MGPQQGTHSA-N 2 2 283.416 0.986 20 30 CCEDLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000578641117 390895756 /nfs/dbraw/zinc/89/57/56/390895756.db2.gz LZBBRDZRYIKDFK-UXXRCYHCSA-N 2 2 281.400 0.738 20 30 CCEDLP C=CC1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000653555664 412317734 /nfs/dbraw/zinc/31/77/34/412317734.db2.gz OAFGVVOVQCVWSA-AWEZNQCLSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CC1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000653555664 412317736 /nfs/dbraw/zinc/31/77/36/412317736.db2.gz OAFGVVOVQCVWSA-AWEZNQCLSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CCOCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662148453 414693600 /nfs/dbraw/zinc/69/36/00/414693600.db2.gz KJZRBDSLTNPGOU-CQSZACIVSA-N 2 2 254.374 0.720 20 30 CCEDLP C=CCOCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662148453 414693601 /nfs/dbraw/zinc/69/36/01/414693601.db2.gz KJZRBDSLTNPGOU-CQSZACIVSA-N 2 2 254.374 0.720 20 30 CCEDLP C=CC[C@]1(C(=O)N2CC[NH+](CCOC)CC2)CCC[NH2+]1 ZINC000662671621 414739475 /nfs/dbraw/zinc/73/94/75/414739475.db2.gz VXQRXXLRNLLQKR-OAHLLOKOSA-N 2 2 281.400 0.475 20 30 CCEDLP C=CC[C@]1(C(=O)N2CC[NH+](CCOCC)CC2)CCC[NH2+]1 ZINC000662674017 414739787 /nfs/dbraw/zinc/73/97/87/414739787.db2.gz WKYDTELIYKCWNS-MRXNPFEDSA-N 2 2 295.427 0.865 20 30 CCEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@@H+]1C ZINC000347065632 226012535 /nfs/dbraw/zinc/01/25/35/226012535.db2.gz YKEAKMDGLQRMFY-QWHCGFSZSA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@H+]1C ZINC000347065632 226012538 /nfs/dbraw/zinc/01/25/38/226012538.db2.gz YKEAKMDGLQRMFY-QWHCGFSZSA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1C ZINC000347065632 226012541 /nfs/dbraw/zinc/01/25/41/226012541.db2.gz YKEAKMDGLQRMFY-QWHCGFSZSA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1C ZINC000347065632 226012544 /nfs/dbraw/zinc/01/25/44/226012544.db2.gz YKEAKMDGLQRMFY-QWHCGFSZSA-N 2 2 278.400 0.963 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000490740621 261197523 /nfs/dbraw/zinc/19/75/23/261197523.db2.gz LZPOCAUZFXHLSV-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC000490740621 261197525 /nfs/dbraw/zinc/19/75/25/261197525.db2.gz LZPOCAUZFXHLSV-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000331163540 264144095 /nfs/dbraw/zinc/14/40/95/264144095.db2.gz LRVBJINRLXOFAV-NSHDSACASA-N 2 2 265.361 0.718 20 30 CCEDLP C[NH+](C)CCCN(CCC#N)C(=O)Cn1cc[nH+]c1 ZINC000514641580 328842828 /nfs/dbraw/zinc/84/28/28/328842828.db2.gz XUDIJZAWYMDWHD-UHFFFAOYSA-N 2 2 263.345 0.577 20 30 CCEDLP C=CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339661917 328012704 /nfs/dbraw/zinc/01/27/04/328012704.db2.gz SFSBNQZKULHVDE-YIONKMFJSA-N 2 2 295.427 0.862 20 30 CCEDLP C=CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339661917 328012706 /nfs/dbraw/zinc/01/27/06/328012706.db2.gz SFSBNQZKULHVDE-YIONKMFJSA-N 2 2 295.427 0.862 20 30 CCEDLP C=CCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339661917 328012708 /nfs/dbraw/zinc/01/27/08/328012708.db2.gz SFSBNQZKULHVDE-YIONKMFJSA-N 2 2 295.427 0.862 20 30 CCEDLP C=CCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339661917 328012709 /nfs/dbraw/zinc/01/27/09/328012709.db2.gz SFSBNQZKULHVDE-YIONKMFJSA-N 2 2 295.427 0.862 20 30 CCEDLP Cc1[nH+]ccn1CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000270690551 328193670 /nfs/dbraw/zinc/19/36/70/328193670.db2.gz XHJQUSNCEVGCEI-UHFFFAOYSA-N 2 2 291.399 0.739 20 30 CCEDLP C#CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000093189241 328261316 /nfs/dbraw/zinc/26/13/16/328261316.db2.gz ZLAHDMINOZZKPY-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000093189241 328261317 /nfs/dbraw/zinc/26/13/17/328261317.db2.gz ZLAHDMINOZZKPY-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261584721 327002457 /nfs/dbraw/zinc/00/24/57/327002457.db2.gz HYRAAEICTAENER-KBPBESRZSA-N 2 2 263.385 0.728 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261584721 327002458 /nfs/dbraw/zinc/00/24/58/327002458.db2.gz HYRAAEICTAENER-KBPBESRZSA-N 2 2 263.385 0.728 20 30 CCEDLP CC(C)(CNC(=[NH2+])N1CCSCC1)[NH+]1CCOCC1 ZINC000263267551 330051088 /nfs/dbraw/zinc/05/10/88/330051088.db2.gz VPXYGFDPTRPYSH-UHFFFAOYSA-N 2 2 286.445 0.461 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@](C)(CC)C2)CC1 ZINC000490830889 332118561 /nfs/dbraw/zinc/11/85/61/332118561.db2.gz NMEYDKKINGTNAG-MRXNPFEDSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)C2(C)CC2)CC1 ZINC000490865626 332122031 /nfs/dbraw/zinc/12/20/31/332122031.db2.gz FOFOISQRZSKQLQ-CQSZACIVSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)C2(C)CC2)CC1 ZINC000490865626 332122033 /nfs/dbraw/zinc/12/20/33/332122033.db2.gz FOFOISQRZSKQLQ-CQSZACIVSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490922092 332129444 /nfs/dbraw/zinc/12/94/44/332129444.db2.gz BQLVISDGPZTGRT-CYBMUJFWSA-N 2 2 281.381 0.396 20 30 CCEDLP C#CC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000490922092 332129445 /nfs/dbraw/zinc/12/94/45/332129445.db2.gz BQLVISDGPZTGRT-CYBMUJFWSA-N 2 2 281.381 0.396 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)CC1 ZINC000491382548 332201352 /nfs/dbraw/zinc/20/13/52/332201352.db2.gz IUBAHBHLBYNOLQ-KKUMJFAQSA-N 2 2 277.412 0.740 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)CC1 ZINC000491382548 332201354 /nfs/dbraw/zinc/20/13/54/332201354.db2.gz IUBAHBHLBYNOLQ-KKUMJFAQSA-N 2 2 277.412 0.740 20 30 CCEDLP C#CCN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000491407027 332206395 /nfs/dbraw/zinc/20/63/95/332206395.db2.gz PYPWVOUFXZJSNR-UHFFFAOYSA-N 2 2 266.389 0.287 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000491523203 332228899 /nfs/dbraw/zinc/22/88/99/332228899.db2.gz CAYCMAWQDUKVAR-CYBMUJFWSA-N 2 2 265.401 0.836 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000491523203 332228901 /nfs/dbraw/zinc/22/89/01/332228901.db2.gz CAYCMAWQDUKVAR-CYBMUJFWSA-N 2 2 265.401 0.836 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000491651642 332264904 /nfs/dbraw/zinc/26/49/04/332264904.db2.gz HYQUJKICIRKVOS-CYBMUJFWSA-N 2 2 274.368 0.517 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000491651642 332264905 /nfs/dbraw/zinc/26/49/05/332264905.db2.gz HYQUJKICIRKVOS-CYBMUJFWSA-N 2 2 274.368 0.517 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)C2CCCC2)CC1 ZINC000491665863 332274371 /nfs/dbraw/zinc/27/43/71/332274371.db2.gz VSIVXSZBEOWJHC-CQSZACIVSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@@](C)(C#N)C[NH+](C)C)CC1 ZINC000491738361 332318041 /nfs/dbraw/zinc/31/80/41/332318041.db2.gz CIXDAZVOCQVDAE-HNNXBMFYSA-N 2 2 276.384 0.292 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000491810954 332363586 /nfs/dbraw/zinc/36/35/86/332363586.db2.gz ARFFZCLXJGFWME-CYBMUJFWSA-N 2 2 265.401 0.788 20 30 CCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC000566106890 334623576 /nfs/dbraw/zinc/62/35/76/334623576.db2.gz BJIDCVADAIKKFE-ZDUSSCGKSA-N 2 2 265.361 0.069 20 30 CCEDLP Cc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)c(C#N)c[nH+]1 ZINC000425271551 534033068 /nfs/dbraw/zinc/03/30/68/534033068.db2.gz VGAKOMNTPYNPMY-AWEZNQCLSA-N 2 2 274.368 0.942 20 30 CCEDLP Cc1cc(NC[C@@H]2CCC[N@H+]2CCCO)c(C#N)c[nH+]1 ZINC000425271551 534033072 /nfs/dbraw/zinc/03/30/72/534033072.db2.gz VGAKOMNTPYNPMY-AWEZNQCLSA-N 2 2 274.368 0.942 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355027915 526536392 /nfs/dbraw/zinc/53/63/92/526536392.db2.gz FGSOSCXRGMBONX-AWEZNQCLSA-N 2 2 294.443 0.389 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355027915 526536397 /nfs/dbraw/zinc/53/63/97/526536397.db2.gz FGSOSCXRGMBONX-AWEZNQCLSA-N 2 2 294.443 0.389 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000677047459 545357351 /nfs/dbraw/zinc/35/73/51/545357351.db2.gz BIGRLQWHBWRRMJ-AWEZNQCLSA-N 2 2 281.400 0.163 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729920671 581621070 /nfs/dbraw/zinc/62/10/70/581621070.db2.gz QTLSMFQOWIJPKO-CHWSQXEVSA-N 2 2 260.341 0.658 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729920671 581621073 /nfs/dbraw/zinc/62/10/73/581621073.db2.gz QTLSMFQOWIJPKO-CHWSQXEVSA-N 2 2 260.341 0.658 20 30 CCEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCCC#N)CC1 ZINC000731846809 581783015 /nfs/dbraw/zinc/78/30/15/581783015.db2.gz ONMJMJHYXQJHQA-UHFFFAOYSA-N 2 2 266.389 0.822 20 30 CCEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCCC#N)CC1 ZINC000731846809 581783018 /nfs/dbraw/zinc/78/30/18/581783018.db2.gz ONMJMJHYXQJHQA-UHFFFAOYSA-N 2 2 266.389 0.822 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732166095 581807184 /nfs/dbraw/zinc/80/71/84/581807184.db2.gz LCYLIVSTHAQNBG-GJZGRUSLSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732166095 581807187 /nfs/dbraw/zinc/80/71/87/581807187.db2.gz LCYLIVSTHAQNBG-GJZGRUSLSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000732166095 581807189 /nfs/dbraw/zinc/80/71/89/581807189.db2.gz LCYLIVSTHAQNBG-GJZGRUSLSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000732166095 581807192 /nfs/dbraw/zinc/80/71/92/581807192.db2.gz LCYLIVSTHAQNBG-GJZGRUSLSA-N 2 2 275.396 0.779 20 30 CCEDLP N#CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743851831 581826791 /nfs/dbraw/zinc/82/67/91/581826791.db2.gz RWQOCGIBQDQQBO-CQSZACIVSA-N 2 2 278.400 0.824 20 30 CCEDLP N#CCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743851831 581826793 /nfs/dbraw/zinc/82/67/93/581826793.db2.gz RWQOCGIBQDQQBO-CQSZACIVSA-N 2 2 278.400 0.824 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000763994552 582025414 /nfs/dbraw/zinc/02/54/14/582025414.db2.gz WUHLQPFYHWNALZ-AWEZNQCLSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000763994552 582025415 /nfs/dbraw/zinc/02/54/15/582025415.db2.gz WUHLQPFYHWNALZ-AWEZNQCLSA-N 2 2 295.452 0.591 20 30 CCEDLP C#C[C@@H]([NH2+]CCC[NH2+][C@@H](C#C)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000775791534 582038311 /nfs/dbraw/zinc/03/83/11/582038311.db2.gz VXHXYWVDJKMOSR-WNKDZCFJSA-N 2 2 290.407 0.917 20 30 CCEDLP C#CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000965848091 612954344 /nfs/dbraw/zinc/95/43/44/612954344.db2.gz XDCDCBWYSFKDID-UHFFFAOYSA-N 2 2 286.379 0.613 20 30 CCEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982037019 612999648 /nfs/dbraw/zinc/99/96/48/612999648.db2.gz YDDAORKRTFPFAZ-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982037019 612999650 /nfs/dbraw/zinc/99/96/50/612999650.db2.gz YDDAORKRTFPFAZ-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970751632 613121785 /nfs/dbraw/zinc/12/17/85/613121785.db2.gz HWGSHQSGXHRISM-GFCCVEGCSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000928650754 613136153 /nfs/dbraw/zinc/13/61/53/613136153.db2.gz HPWLRRRLZIPJAF-CYBMUJFWSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCN1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000905460005 613175484 /nfs/dbraw/zinc/17/54/84/613175484.db2.gz JNMOWHXAAGVJRE-HIFRSBDPSA-N 2 2 265.401 0.129 20 30 CCEDLP C#CCN1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000905460005 613175485 /nfs/dbraw/zinc/17/54/85/613175485.db2.gz JNMOWHXAAGVJRE-HIFRSBDPSA-N 2 2 265.401 0.129 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1COC(=O)Cn1c[nH+]cc1C ZINC000860530444 613203453 /nfs/dbraw/zinc/20/34/53/613203453.db2.gz XFYJEVWKXUVDLW-ZDUSSCGKSA-N 2 2 261.325 0.832 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1COC(=O)Cn1c[nH+]cc1C ZINC000860530444 613203454 /nfs/dbraw/zinc/20/34/54/613203454.db2.gz XFYJEVWKXUVDLW-ZDUSSCGKSA-N 2 2 261.325 0.832 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000900208808 613365128 /nfs/dbraw/zinc/36/51/28/613365128.db2.gz NEXZIWYIXVNRQW-ZDUSSCGKSA-N 2 2 269.389 0.331 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000908133419 613365487 /nfs/dbraw/zinc/36/54/87/613365487.db2.gz AUSJWZNSNVMYMF-GFCCVEGCSA-N 2 2 262.357 0.822 20 30 CCEDLP C=CCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957332593 613504529 /nfs/dbraw/zinc/50/45/29/613504529.db2.gz WPPYDEITKICJJY-UHFFFAOYSA-N 2 2 262.357 0.683 20 30 CCEDLP C=C[C@](C)(O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864646579 613510247 /nfs/dbraw/zinc/51/02/47/613510247.db2.gz BKCXAPVYQALZFA-AWEZNQCLSA-N 2 2 281.404 0.555 20 30 CCEDLP C=C[C@](C)(O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000864646579 613510251 /nfs/dbraw/zinc/51/02/51/613510251.db2.gz BKCXAPVYQALZFA-AWEZNQCLSA-N 2 2 281.404 0.555 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957328611 613708726 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DETZWLOMJNEIHC-OLZOCXBDSA-N 2 2 297.399 0.280 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000884371421 613878615 /nfs/dbraw/zinc/87/86/15/613878615.db2.gz NCULBRUSRRCYHQ-NEPJUHHUSA-N 2 2 295.383 0.224 20 30 CCEDLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000877433655 615568576 /nfs/dbraw/zinc/56/85/76/615568576.db2.gz GUIFPKVRQJCGIZ-ZIAGYGMSSA-N 2 2 296.415 0.625 20 30 CCEDLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000877433655 615568577 /nfs/dbraw/zinc/56/85/77/615568577.db2.gz GUIFPKVRQJCGIZ-ZIAGYGMSSA-N 2 2 296.415 0.625 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000913522726 615860383 /nfs/dbraw/zinc/86/03/83/615860383.db2.gz WJUOCMISNVDWCD-LBPRGKRZSA-N 2 2 260.341 0.127 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccnc(C#N)c3)C2)CC1 ZINC000911907479 616172452 /nfs/dbraw/zinc/17/24/52/616172452.db2.gz ZNANXIUVJKWUMA-AWEZNQCLSA-N 2 2 285.395 0.956 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccnc(C#N)c3)C2)CC1 ZINC000911907479 616172453 /nfs/dbraw/zinc/17/24/53/616172453.db2.gz ZNANXIUVJKWUMA-AWEZNQCLSA-N 2 2 285.395 0.956 20 30 CCEDLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(O)C2=O)CC1(C)C ZINC000895156534 616418714 /nfs/dbraw/zinc/41/87/14/616418714.db2.gz CLWPSXBBJLRFOM-QWRGUYRKSA-N 2 2 255.362 0.829 20 30 CCEDLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(O)C2=O)CC1(C)C ZINC000895156534 616418718 /nfs/dbraw/zinc/41/87/18/616418718.db2.gz CLWPSXBBJLRFOM-QWRGUYRKSA-N 2 2 255.362 0.829 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]12 ZINC001026385960 625423040 /nfs/dbraw/zinc/42/30/40/625423040.db2.gz JCYAYDPVHLVPQW-FRRDWIJNSA-N 2 2 272.352 0.412 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021754565 624820247 /nfs/dbraw/zinc/82/02/47/624820247.db2.gz OEXXZFRZENBJSR-HUUCEWRRSA-N 2 2 286.379 0.829 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001021754565 624820249 /nfs/dbraw/zinc/82/02/49/624820249.db2.gz OEXXZFRZENBJSR-HUUCEWRRSA-N 2 2 286.379 0.829 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001022492136 625008395 /nfs/dbraw/zinc/00/83/95/625008395.db2.gz BSBVKVHMXZQSJA-ZNMIVQPWSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001022492136 625008396 /nfs/dbraw/zinc/00/83/96/625008396.db2.gz BSBVKVHMXZQSJA-ZNMIVQPWSA-N 2 2 295.427 0.910 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001022492618 625008636 /nfs/dbraw/zinc/00/86/36/625008636.db2.gz GVMDXVWBQAMOTB-QLFBSQMISA-N 2 2 293.411 0.357 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001022492618 625008638 /nfs/dbraw/zinc/00/86/38/625008638.db2.gz GVMDXVWBQAMOTB-QLFBSQMISA-N 2 2 293.411 0.357 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261949607 631726587 /nfs/dbraw/zinc/72/65/87/631726587.db2.gz GYKGNZHEFCWWEZ-GXTWGEPZSA-N 3 2 279.432 0.340 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261949607 631726598 /nfs/dbraw/zinc/72/65/98/631726598.db2.gz GYKGNZHEFCWWEZ-GXTWGEPZSA-N 3 2 279.432 0.340 20 30 CCEDLP O=C1[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCN1O ZINC000895158034 631989785 /nfs/dbraw/zinc/98/97/85/631989785.db2.gz VTLZMELTVHNHPB-UONOGXRCSA-N 2 2 297.399 0.600 20 30 CCEDLP C#CC[N@@H+](C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985405773 632463750 /nfs/dbraw/zinc/46/37/50/632463750.db2.gz IHDPMUBEGCUADR-UHFFFAOYSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@H+](C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985405773 632463759 /nfs/dbraw/zinc/46/37/59/632463759.db2.gz IHDPMUBEGCUADR-UHFFFAOYSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CCC[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989584682 633331349 /nfs/dbraw/zinc/33/13/49/633331349.db2.gz KYMGBOZJVQZIJB-UHFFFAOYSA-N 2 2 288.395 0.910 20 30 CCEDLP C#CCC[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989584682 633331350 /nfs/dbraw/zinc/33/13/50/633331350.db2.gz KYMGBOZJVQZIJB-UHFFFAOYSA-N 2 2 288.395 0.910 20 30 CCEDLP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000989708065 633347401 /nfs/dbraw/zinc/34/74/01/633347401.db2.gz NCIOEYDGUNECSN-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989708065 633347402 /nfs/dbraw/zinc/34/74/02/633347402.db2.gz NCIOEYDGUNECSN-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000989708065 633347411 /nfs/dbraw/zinc/34/74/11/633347411.db2.gz NCIOEYDGUNECSN-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000989708065 633347412 /nfs/dbraw/zinc/34/74/12/633347412.db2.gz NCIOEYDGUNECSN-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCF)CC2)CC1 ZINC000989734773 633349916 /nfs/dbraw/zinc/34/99/16/633349916.db2.gz CLEMEVVOUYQCIQ-UHFFFAOYSA-N 2 2 295.402 0.835 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCF)CC2)CC1 ZINC000989734773 633349924 /nfs/dbraw/zinc/34/99/24/633349924.db2.gz CLEMEVVOUYQCIQ-UHFFFAOYSA-N 2 2 295.402 0.835 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC000992829894 637616287 /nfs/dbraw/zinc/61/62/87/637616287.db2.gz FTGUMIOMGUBMBF-AEGPPILISA-N 2 2 286.379 0.802 20 30 CCEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994508031 637955764 /nfs/dbraw/zinc/95/57/64/637955764.db2.gz PBPXZQKPCDCVAJ-KBPBESRZSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994508031 637955778 /nfs/dbraw/zinc/95/57/78/637955778.db2.gz PBPXZQKPCDCVAJ-KBPBESRZSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC1(C)C ZINC000996570060 638822859 /nfs/dbraw/zinc/82/28/59/638822859.db2.gz VOUJLXMNVLHCOJ-AWEZNQCLSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000996741281 638830931 /nfs/dbraw/zinc/83/09/31/638830931.db2.gz ZNBOAONKZWLVEW-ZDUSSCGKSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000999005663 638955076 /nfs/dbraw/zinc/95/50/76/638955076.db2.gz ULLWSZCPYWIFHH-HSBZDZAISA-N 2 2 286.379 0.658 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999538260 638984942 /nfs/dbraw/zinc/98/49/42/638984942.db2.gz VIEXITUWMLHJQE-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001001500601 639308486 /nfs/dbraw/zinc/30/84/86/639308486.db2.gz AYEPTEFHMYWJPM-ZIAGYGMSSA-N 2 2 286.379 0.975 20 30 CCEDLP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001014953741 650507434 /nfs/dbraw/zinc/50/74/34/650507434.db2.gz GOQAMKRSENUCBQ-STQMWFEESA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001014953741 650507439 /nfs/dbraw/zinc/50/74/39/650507439.db2.gz GOQAMKRSENUCBQ-STQMWFEESA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014953741 650507443 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RTXGDRWKAGNXCY-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329753 812622590 /nfs/dbraw/zinc/62/25/90/812622590.db2.gz RTXGDRWKAGNXCY-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329753 812622594 /nfs/dbraw/zinc/62/25/94/812622594.db2.gz RTXGDRWKAGNXCY-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP N#Cc1ccc(F)c(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211755650 812670914 /nfs/dbraw/zinc/67/09/14/812670914.db2.gz XQIXJGSHSKGDQM-ONGXEEELSA-N 2 2 273.271 0.761 20 30 CCEDLP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268749195 813064874 /nfs/dbraw/zinc/06/48/74/813064874.db2.gz SGPNINJWDFTORR-LLVKDONJSA-N 2 2 250.346 0.965 20 30 CCEDLP C=CCC[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268749195 813064882 /nfs/dbraw/zinc/06/48/82/813064882.db2.gz SGPNINJWDFTORR-LLVKDONJSA-N 2 2 250.346 0.965 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641028 813095162 /nfs/dbraw/zinc/09/51/62/813095162.db2.gz ADNJCPQNLKVTPW-UONOGXRCSA-N 2 2 286.379 0.517 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641028 813095169 /nfs/dbraw/zinc/09/51/69/813095169.db2.gz ADNJCPQNLKVTPW-UONOGXRCSA-N 2 2 286.379 0.517 20 30 CCEDLP C=CC[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028646353 813112618 /nfs/dbraw/zinc/11/26/18/813112618.db2.gz VMEYVNSNBYRYPR-GFCCVEGCSA-N 2 2 292.383 0.974 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028646353 813112624 /nfs/dbraw/zinc/11/26/24/813112624.db2.gz VMEYVNSNBYRYPR-GFCCVEGCSA-N 2 2 292.383 0.974 20 30 CCEDLP C=CCC[NH+]1CC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001269886502 813545547 /nfs/dbraw/zinc/54/55/47/813545547.db2.gz HUNWIPDMXRBRLP-AWEZNQCLSA-N 2 2 295.427 0.673 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167979054 813883396 /nfs/dbraw/zinc/88/33/96/813883396.db2.gz PJKBLNJUSLSKGV-LBPRGKRZSA-N 2 2 262.357 0.708 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167979054 813883400 /nfs/dbraw/zinc/88/34/00/813883400.db2.gz PJKBLNJUSLSKGV-LBPRGKRZSA-N 2 2 262.357 0.708 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498541 816792778 /nfs/dbraw/zinc/79/27/78/816792778.db2.gz BYSCIMUKIIWGIX-ZIAGYGMSSA-N 2 2 274.368 0.591 20 30 CCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704862 816859320 /nfs/dbraw/zinc/85/93/20/816859320.db2.gz GEFRFANHGBSAEH-VXGBXAGGSA-N 2 2 262.357 0.822 20 30 CCEDLP C#CC[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001272624458 816869349 /nfs/dbraw/zinc/86/93/49/816869349.db2.gz MJOTYUQAXFPFCD-CQSZACIVSA-N 2 2 288.395 0.814 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800998 816922255 /nfs/dbraw/zinc/92/22/55/816922255.db2.gz RWMKKVFFFHXTMF-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[NH+]1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031816329 817391827 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C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)COC)C1 ZINC001032827224 818125638 /nfs/dbraw/zinc/12/56/38/818125638.db2.gz NECMYVTUCRFTLH-KKUMJFAQSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H](C)COC)C1 ZINC001032827224 818125641 /nfs/dbraw/zinc/12/56/41/818125641.db2.gz NECMYVTUCRFTLH-KKUMJFAQSA-N 2 2 293.411 0.309 20 30 CCEDLP C[NH+]1CCN(C(=[NH2+])Nc2cc3nc[nH]c3c(C#N)n2)CC1 ZINC001168736625 818550787 /nfs/dbraw/zinc/55/07/87/818550787.db2.gz OOCPPLUAWAZFSD-UHFFFAOYSA-N 2 2 284.327 0.424 20 30 CCEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358013 818737274 /nfs/dbraw/zinc/73/72/74/818737274.db2.gz MKMSWBIIEPRDAQ-GJZGRUSLSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358013 818737284 /nfs/dbraw/zinc/73/72/84/818737284.db2.gz MKMSWBIIEPRDAQ-GJZGRUSLSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358013 818737290 /nfs/dbraw/zinc/73/72/90/818737290.db2.gz MKMSWBIIEPRDAQ-GJZGRUSLSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358013 818737295 /nfs/dbraw/zinc/73/72/95/818737295.db2.gz MKMSWBIIEPRDAQ-GJZGRUSLSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048251 819044698 /nfs/dbraw/zinc/04/46/98/819044698.db2.gz NPKDPHGRWHGTIP-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048251 819044705 /nfs/dbraw/zinc/04/47/05/819044705.db2.gz NPKDPHGRWHGTIP-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034048251 819044709 /nfs/dbraw/zinc/04/47/09/819044709.db2.gz NPKDPHGRWHGTIP-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048251 819044715 /nfs/dbraw/zinc/04/47/15/819044715.db2.gz NPKDPHGRWHGTIP-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035822612 819629097 /nfs/dbraw/zinc/62/90/97/819629097.db2.gz LCPAOORYOHEGPH-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001036315080 819724463 /nfs/dbraw/zinc/72/44/63/819724463.db2.gz PMHXBFCQGNLNQJ-OLZOCXBDSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855812 820854667 /nfs/dbraw/zinc/85/46/67/820854667.db2.gz SFEPIIXCHMTPJK-HZSPNIEDSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855812 820854678 /nfs/dbraw/zinc/85/46/78/820854678.db2.gz SFEPIIXCHMTPJK-HZSPNIEDSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081855812 820854689 /nfs/dbraw/zinc/85/46/89/820854689.db2.gz SFEPIIXCHMTPJK-HZSPNIEDSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081855812 820854699 /nfs/dbraw/zinc/85/46/99/820854699.db2.gz SFEPIIXCHMTPJK-HZSPNIEDSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144630 821148373 /nfs/dbraw/zinc/14/83/73/821148373.db2.gz QOWINFWOVQYWIT-UONOGXRCSA-N 2 2 290.367 0.289 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144630 821148381 /nfs/dbraw/zinc/14/83/81/821148381.db2.gz QOWINFWOVQYWIT-UONOGXRCSA-N 2 2 290.367 0.289 20 30 CCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084116238 821194152 /nfs/dbraw/zinc/19/41/52/821194152.db2.gz HAHWHKKBSBYSNM-OLZOCXBDSA-N 2 2 278.356 0.011 20 30 CCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084116238 821194155 /nfs/dbraw/zinc/19/41/55/821194155.db2.gz HAHWHKKBSBYSNM-OLZOCXBDSA-N 2 2 278.356 0.011 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084251176 821242688 /nfs/dbraw/zinc/24/26/88/821242688.db2.gz DSLUPZAYMUTAJJ-RBSFLKMASA-N 2 2 293.411 0.426 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084251176 821242697 /nfs/dbraw/zinc/24/26/97/821242697.db2.gz DSLUPZAYMUTAJJ-RBSFLKMASA-N 2 2 293.411 0.426 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251176 821242703 /nfs/dbraw/zinc/24/27/03/821242703.db2.gz DSLUPZAYMUTAJJ-RBSFLKMASA-N 2 2 293.411 0.426 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084251176 821242711 /nfs/dbraw/zinc/24/27/11/821242711.db2.gz DSLUPZAYMUTAJJ-RBSFLKMASA-N 2 2 293.411 0.426 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085779766 821947631 /nfs/dbraw/zinc/94/76/31/821947631.db2.gz CFSRYAIMVZDSTC-HUUCEWRRSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085779766 821947642 /nfs/dbraw/zinc/94/76/42/821947642.db2.gz CFSRYAIMVZDSTC-HUUCEWRRSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085779766 821947646 /nfs/dbraw/zinc/94/76/46/821947646.db2.gz CFSRYAIMVZDSTC-HUUCEWRRSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085779766 821947648 /nfs/dbraw/zinc/94/76/48/821947648.db2.gz CFSRYAIMVZDSTC-HUUCEWRRSA-N 2 2 293.411 0.262 20 30 CCEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114213228 837473295 /nfs/dbraw/zinc/47/32/95/837473295.db2.gz XJMXOADVQYUQRM-JYAVWHMHSA-N 2 2 274.368 0.965 20 30 CCEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114213228 837473299 /nfs/dbraw/zinc/47/32/99/837473299.db2.gz XJMXOADVQYUQRM-JYAVWHMHSA-N 2 2 274.368 0.965 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nocc1C ZINC001129771060 837558668 /nfs/dbraw/zinc/55/86/68/837558668.db2.gz PNXZUKGGTRZHGA-AWEZNQCLSA-N 2 2 290.367 0.286 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nocc1C ZINC001129771060 837558673 /nfs/dbraw/zinc/55/86/73/837558673.db2.gz PNXZUKGGTRZHGA-AWEZNQCLSA-N 2 2 290.367 0.286 20 30 CCEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130401134 837784567 /nfs/dbraw/zinc/78/45/67/837784567.db2.gz PZZRLZABVNTOQE-NSHDSACASA-N 2 2 282.775 0.904 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001113346154 837095951 /nfs/dbraw/zinc/09/59/51/837095951.db2.gz QOIOJHYJIWHZTR-OAHLLOKOSA-N 2 2 295.427 0.675 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001113346154 837095963 /nfs/dbraw/zinc/09/59/63/837095963.db2.gz QOIOJHYJIWHZTR-OAHLLOKOSA-N 2 2 295.427 0.675 20 30 CCEDLP C#CC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131975714 838278886 /nfs/dbraw/zinc/27/88/86/838278886.db2.gz BPYLDPYLSMHPDM-UHFFFAOYSA-N 2 2 268.320 0.825 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132783986 838493799 /nfs/dbraw/zinc/49/37/99/838493799.db2.gz DJMDNTREDPWENI-OAHLLOKOSA-N 2 2 293.411 0.359 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132783986 838493807 /nfs/dbraw/zinc/49/38/07/838493807.db2.gz DJMDNTREDPWENI-OAHLLOKOSA-N 2 2 293.411 0.359 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132783985 838493870 /nfs/dbraw/zinc/49/38/70/838493870.db2.gz DJMDNTREDPWENI-HNNXBMFYSA-N 2 2 293.411 0.359 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132783985 838493877 /nfs/dbraw/zinc/49/38/77/838493877.db2.gz DJMDNTREDPWENI-HNNXBMFYSA-N 2 2 293.411 0.359 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045718 838842311 /nfs/dbraw/zinc/84/23/11/838842311.db2.gz NOWYGLYAZYZTGQ-VXGBXAGGSA-N 2 2 260.341 0.253 20 30 CCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179608511 843028533 /nfs/dbraw/zinc/02/85/33/843028533.db2.gz MVGILCMWCMFXMP-JSGCOSHPSA-N 2 2 290.367 0.181 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)CN2CC[NH+](C(C)C)CC2)CC1 ZINC001180347597 843148330 /nfs/dbraw/zinc/14/83/30/843148330.db2.gz 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ZINC001192549842 845867076 /nfs/dbraw/zinc/86/70/76/845867076.db2.gz ACGOSFXOCWJAKJ-CQSZACIVSA-N 2 2 290.367 0.135 20 30 CCEDLP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192549842 845867083 /nfs/dbraw/zinc/86/70/83/845867083.db2.gz ACGOSFXOCWJAKJ-CQSZACIVSA-N 2 2 290.367 0.135 20 30 CCEDLP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448724 846303383 /nfs/dbraw/zinc/30/33/83/846303383.db2.gz LBVAZARVVUTCSX-CQSZACIVSA-N 2 2 290.367 0.066 20 30 CCEDLP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448724 846303391 /nfs/dbraw/zinc/30/33/91/846303391.db2.gz LBVAZARVVUTCSX-CQSZACIVSA-N 2 2 290.367 0.066 20 30 CCEDLP C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001273712252 846686345 /nfs/dbraw/zinc/68/63/45/846686345.db2.gz SCFVFYAVHRWEJC-INIZCTEOSA-N 2 2 295.427 0.675 20 30 CCEDLP C=CCN1C[C@@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001273712252 846686350 /nfs/dbraw/zinc/68/63/50/846686350.db2.gz SCFVFYAVHRWEJC-INIZCTEOSA-N 2 2 295.427 0.675 20 30 CCEDLP C=CCNC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001200297387 847601310 /nfs/dbraw/zinc/60/13/10/847601310.db2.gz UHIYFSTYLHRKOE-UHFFFAOYSA-N 2 2 270.446 0.663 20 30 CCEDLP C#CCC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202666944 848206716 /nfs/dbraw/zinc/20/67/16/848206716.db2.gz DSOGAUZIPVCTDW-UHFFFAOYSA-N 2 2 260.341 0.556 20 30 CCEDLP C=CCOCC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202666731 848206876 /nfs/dbraw/zinc/20/68/76/848206876.db2.gz BCUMKXWLXDKCSJ-UHFFFAOYSA-N 2 2 292.383 0.735 20 30 CCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001274741645 848556555 /nfs/dbraw/zinc/55/65/55/848556555.db2.gz RBYDWOPIQOBBID-STQMWFEESA-N 2 2 274.368 0.563 20 30 CCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111149984 849080291 /nfs/dbraw/zinc/08/02/91/849080291.db2.gz DPYYSVLJZWEIMC-KFWWJZLASA-N 2 2 291.395 0.063 20 30 CCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111149984 849080299 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CCEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926788 852397131 /nfs/dbraw/zinc/39/71/31/852397131.db2.gz DSVOIUMYUASMRK-LSDHHAIUSA-N 2 2 286.379 0.972 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050150864 853325655 /nfs/dbraw/zinc/32/56/55/853325655.db2.gz CVZKGCTUERWOSX-DZGCQCFKSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050150864 853325661 /nfs/dbraw/zinc/32/56/61/853325661.db2.gz CVZKGCTUERWOSX-DZGCQCFKSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001071690193 854266099 /nfs/dbraw/zinc/26/60/99/854266099.db2.gz WZLMIXDMZCEHAS-OCCSQVGLSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001071690193 854266104 /nfs/dbraw/zinc/26/61/04/854266104.db2.gz WZLMIXDMZCEHAS-OCCSQVGLSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071990240 854331409 /nfs/dbraw/zinc/33/14/09/854331409.db2.gz WNRYFKJDCQKNGU-OLZOCXBDSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071990240 854331417 /nfs/dbraw/zinc/33/14/17/854331417.db2.gz WNRYFKJDCQKNGU-OLZOCXBDSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098402004 854863737 /nfs/dbraw/zinc/86/37/37/854863737.db2.gz UZOOAVXNVNWMSB-MCIONIFRSA-N 2 2 261.369 0.437 20 30 CCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001098402004 854863738 /nfs/dbraw/zinc/86/37/38/854863738.db2.gz UZOOAVXNVNWMSB-MCIONIFRSA-N 2 2 261.369 0.437 20 30 CCEDLP CC#CC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100551865 855185947 /nfs/dbraw/zinc/18/59/47/855185947.db2.gz YIMDKZFVSBRZGJ-UHFFFAOYSA-N 2 2 274.368 0.781 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102613997 855449254 /nfs/dbraw/zinc/44/92/54/855449254.db2.gz GTXDMWHLJONBMI-CHWSQXEVSA-N 2 2 260.341 0.200 20 30 CCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102613997 855449259 /nfs/dbraw/zinc/44/92/59/855449259.db2.gz GTXDMWHLJONBMI-CHWSQXEVSA-N 2 2 260.341 0.200 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001118624595 856370935 /nfs/dbraw/zinc/37/09/35/856370935.db2.gz NJJNHMWPSJPBMS-LBPRGKRZSA-N 2 2 287.367 0.550 20 30 CCEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCCn1cc[nH+]c1)C2 ZINC001119354417 856647030 /nfs/dbraw/zinc/64/70/30/856647030.db2.gz ALACQNATMWLROI-OWYJLGKBSA-N 2 2 287.367 0.529 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001323317292 912261500 /nfs/dbraw/zinc/26/15/00/912261500.db2.gz FCYKZRARBZQKKS-AWEZNQCLSA-N 2 2 274.368 0.795 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001323317292 912261518 /nfs/dbraw/zinc/26/15/18/912261518.db2.gz FCYKZRARBZQKKS-AWEZNQCLSA-N 2 2 274.368 0.795 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001324488447 912870138 /nfs/dbraw/zinc/87/01/38/912870138.db2.gz KYTHKYAVJWGAKU-AWEZNQCLSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001324488447 912870152 /nfs/dbraw/zinc/87/01/52/912870152.db2.gz KYTHKYAVJWGAKU-AWEZNQCLSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001482233955 893620879 /nfs/dbraw/zinc/62/08/79/893620879.db2.gz RPGNOYITHNRKPS-UHFFFAOYSA-N 2 2 274.368 0.994 20 30 CCEDLP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482300248 893807601 /nfs/dbraw/zinc/80/76/01/893807601.db2.gz AWZBKWNEPRRMOB-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484128783 896204551 /nfs/dbraw/zinc/20/45/51/896204551.db2.gz RBEGAPKNVBDKJI-HNNXBMFYSA-N 2 2 274.368 0.735 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001032479775 897626232 /nfs/dbraw/zinc/62/62/32/897626232.db2.gz PRIMHVJPXBGHLF-KKUMJFAQSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001032479775 897626241 /nfs/dbraw/zinc/62/62/41/897626241.db2.gz PRIMHVJPXBGHLF-KKUMJFAQSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001032479775 897626253 /nfs/dbraw/zinc/62/62/53/897626253.db2.gz PRIMHVJPXBGHLF-KKUMJFAQSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001032479775 897626263 /nfs/dbraw/zinc/62/62/63/897626263.db2.gz PRIMHVJPXBGHLF-KKUMJFAQSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CCC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001485945933 898529196 /nfs/dbraw/zinc/52/91/96/898529196.db2.gz UPIPMOIWTMVYHI-GFCCVEGCSA-N 2 2 262.357 0.422 20 30 CCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001486097363 898654527 /nfs/dbraw/zinc/65/45/27/898654527.db2.gz VQXJVTSTDMZAQG-KGLIPLIRSA-N 2 2 290.367 0.112 20 30 CCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001281450566 903912091 /nfs/dbraw/zinc/91/20/91/903912091.db2.gz LUYKQZQDIZOYGG-OCCSQVGLSA-N 2 2 290.367 0.039 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001281890012 904361051 /nfs/dbraw/zinc/36/10/51/904361051.db2.gz FCJZRQYVRQVOAE-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP CC#CC[N@H+](C)CCOCCNC(=O)Cc1c[nH+]cn1C ZINC001283421765 904845021 /nfs/dbraw/zinc/84/50/21/904845021.db2.gz MWIUCLTWSPGKRF-UHFFFAOYSA-N 2 2 292.383 0.051 20 30 CCEDLP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001284517668 905352621 /nfs/dbraw/zinc/35/26/21/905352621.db2.gz YEXNCRJNXKBBPG-GFCCVEGCSA-N 2 2 292.383 0.072 20 30 CCEDLP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001284517668 905352631 /nfs/dbraw/zinc/35/26/31/905352631.db2.gz YEXNCRJNXKBBPG-GFCCVEGCSA-N 2 2 292.383 0.072 20 30 CCEDLP CC#CC[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001284784616 905432755 /nfs/dbraw/zinc/43/27/55/905432755.db2.gz NYMIXGZLQYVONE-UHFFFAOYSA-N 2 2 274.368 0.876 20 30 CCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001492133461 907734916 /nfs/dbraw/zinc/73/49/16/907734916.db2.gz WGWVFHFPEYZONO-CYBMUJFWSA-N 2 2 278.356 0.017 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316987231 908903290 /nfs/dbraw/zinc/90/32/90/908903290.db2.gz AXIVVBZGUZNGAF-CQSZACIVSA-N 2 2 274.368 0.795 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316987231 908903300 /nfs/dbraw/zinc/90/33/00/908903300.db2.gz AXIVVBZGUZNGAF-CQSZACIVSA-N 2 2 274.368 0.795 20 30 CCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001317407935 909181278 /nfs/dbraw/zinc/18/12/78/909181278.db2.gz HBCXMRLHKRFBSY-GFCCVEGCSA-N 2 2 278.356 0.086 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001318429184 909754575 /nfs/dbraw/zinc/75/45/75/909754575.db2.gz PVHAYRLAIRDSQY-AWEZNQCLSA-N 2 2 290.367 0.135 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001318429184 909754585 /nfs/dbraw/zinc/75/45/85/909754585.db2.gz PVHAYRLAIRDSQY-AWEZNQCLSA-N 2 2 290.367 0.135 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001319322020 910098106 /nfs/dbraw/zinc/09/81/06/910098106.db2.gz HAVUTYMVQZXJBD-GJZGRUSLSA-N 2 2 295.427 0.721 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001319322020 910098119 /nfs/dbraw/zinc/09/81/19/910098119.db2.gz HAVUTYMVQZXJBD-GJZGRUSLSA-N 2 2 295.427 0.721 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001319322020 910098131 /nfs/dbraw/zinc/09/81/31/910098131.db2.gz HAVUTYMVQZXJBD-GJZGRUSLSA-N 2 2 295.427 0.721 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001319322020 910098144 /nfs/dbraw/zinc/09/81/44/910098144.db2.gz HAVUTYMVQZXJBD-GJZGRUSLSA-N 2 2 295.427 0.721 20 30 CCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001319552011 910199886 /nfs/dbraw/zinc/19/98/86/910199886.db2.gz QEHRIDZEROFKQC-GFCCVEGCSA-N 2 2 278.356 0.039 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319561623 910204720 /nfs/dbraw/zinc/20/47/20/910204720.db2.gz YJEZFMGSLILJSS-GFCCVEGCSA-N 2 2 262.357 0.422 20 30 CCEDLP N#CCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001320076237 910452780 /nfs/dbraw/zinc/45/27/80/910452780.db2.gz DOQMBCCPMMTHDT-UHFFFAOYSA-N 2 2 280.416 0.676 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001320163654 910486529 /nfs/dbraw/zinc/48/65/29/910486529.db2.gz JTSVPSFFOAYUGY-GXTWGEPZSA-N 2 2 274.368 0.850 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001322352678 911773259 /nfs/dbraw/zinc/77/32/59/911773259.db2.gz BQFQVXUDYMLNBW-GXTWGEPZSA-N 2 2 274.368 0.850 20 30 CCEDLP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001329173525 915727391 /nfs/dbraw/zinc/72/73/91/915727391.db2.gz QZTUONDMNQSIHZ-WDEREUQCSA-N 2 2 262.357 0.767 20 30 CCEDLP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001331485185 917366847 /nfs/dbraw/zinc/36/68/47/917366847.db2.gz ACJGNWIGPJSTNR-KGLIPLIRSA-N 2 2 288.395 0.905 20 30 CCEDLP COCC#CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001334019968 919320676 /nfs/dbraw/zinc/32/06/76/919320676.db2.gz UVWHBGHGLOSMKF-HNNXBMFYSA-N 2 2 293.411 0.263 20 30 CCEDLP COCC#CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001334019968 919320690 /nfs/dbraw/zinc/32/06/90/919320690.db2.gz UVWHBGHGLOSMKF-HNNXBMFYSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC001336785430 921010473 /nfs/dbraw/zinc/01/04/73/921010473.db2.gz ZVSCORBJFGZVER-ZDUSSCGKSA-N 2 2 254.374 0.196 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC001340609304 922138714 /nfs/dbraw/zinc/13/87/14/922138714.db2.gz JFALWKUAJWOINU-RDBSUJKOSA-N 2 2 283.416 0.895 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC001340609304 922138719 /nfs/dbraw/zinc/13/87/19/922138719.db2.gz JFALWKUAJWOINU-RDBSUJKOSA-N 2 2 283.416 0.895 20 30 CCEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001448644794 930938091 /nfs/dbraw/zinc/93/80/91/930938091.db2.gz ZAURJYBZQAUWHX-VXGBXAGGSA-N 2 2 289.807 0.506 20 30 CCEDLP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001448644794 930938097 /nfs/dbraw/zinc/93/80/97/930938097.db2.gz ZAURJYBZQAUWHX-VXGBXAGGSA-N 2 2 289.807 0.506 20 30 CCEDLP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330239633 282195054 /nfs/dbraw/zinc/19/50/54/282195054.db2.gz BDQOVBZJLGBUMG-NWDGAFQWSA-N 2 2 277.372 0.748 20 30 CCEDLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1C#N ZINC000600711115 362042506 /nfs/dbraw/zinc/04/25/06/362042506.db2.gz RCEHQYZEZNNMKP-LSDHHAIUSA-N 2 2 284.363 0.611 20 30 CCEDLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1C#N ZINC000600711115 362042509 /nfs/dbraw/zinc/04/25/09/362042509.db2.gz RCEHQYZEZNNMKP-LSDHHAIUSA-N 2 2 284.363 0.611 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000600742263 362051083 /nfs/dbraw/zinc/05/10/83/362051083.db2.gz JOHIVZDGPCCPQT-KGLIPLIRSA-N 2 2 281.400 0.478 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000600742263 362051087 /nfs/dbraw/zinc/05/10/87/362051087.db2.gz JOHIVZDGPCCPQT-KGLIPLIRSA-N 2 2 281.400 0.478 20 30 CCEDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000358150576 529809700 /nfs/dbraw/zinc/80/97/00/529809700.db2.gz AVIMZLUSMZBJJP-HNNXBMFYSA-N 2 2 285.351 0.362 20 30 CCEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000358150576 529809702 /nfs/dbraw/zinc/80/97/02/529809702.db2.gz AVIMZLUSMZBJJP-HNNXBMFYSA-N 2 2 285.351 0.362 20 30 CCEDLP N#Cc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000602720113 362771075 /nfs/dbraw/zinc/77/10/75/362771075.db2.gz HQULLWROLZXKSV-AWEZNQCLSA-N 2 2 287.367 0.383 20 30 CCEDLP N#Cc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000602720113 362771079 /nfs/dbraw/zinc/77/10/79/362771079.db2.gz HQULLWROLZXKSV-AWEZNQCLSA-N 2 2 287.367 0.383 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917684 348217837 /nfs/dbraw/zinc/21/78/37/348217837.db2.gz HQUWADPRGOJWGJ-STQMWFEESA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917684 348217841 /nfs/dbraw/zinc/21/78/41/348217841.db2.gz HQUWADPRGOJWGJ-STQMWFEESA-N 2 2 294.399 0.462 20 30 CCEDLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602979303 362919926 /nfs/dbraw/zinc/91/99/26/362919926.db2.gz BUIXSDQMWCPUPG-UONOGXRCSA-N 2 2 278.400 0.775 20 30 CCEDLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602979303 362919932 /nfs/dbraw/zinc/91/99/32/362919932.db2.gz BUIXSDQMWCPUPG-UONOGXRCSA-N 2 2 278.400 0.775 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603833209 363162194 /nfs/dbraw/zinc/16/21/94/363162194.db2.gz APDPHKQSALJRIZ-RDBSUJKOSA-N 2 2 290.411 0.869 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000296168250 353934586 /nfs/dbraw/zinc/93/45/86/353934586.db2.gz BGFNGIUUWIGSOQ-CYBMUJFWSA-N 2 2 277.372 0.526 20 30 CCEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C(CO)CO)CC2)cc1 ZINC000271864670 191375197 /nfs/dbraw/zinc/37/51/97/191375197.db2.gz LCGFGPIURHEOHP-UHFFFAOYSA-N 2 2 289.379 0.465 20 30 CCEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362825192 138076335 /nfs/dbraw/zinc/07/63/35/138076335.db2.gz FLAGCSCUSRQPKG-MRXNPFEDSA-N 2 2 298.390 0.954 20 30 CCEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362825192 138076336 /nfs/dbraw/zinc/07/63/36/138076336.db2.gz FLAGCSCUSRQPKG-MRXNPFEDSA-N 2 2 298.390 0.954 20 30 CCEDLP C[C@@H](CNC[C@@H](O)C[N@H+](C)CCC#N)[NH+]1CCC[C@@H](C)C1 ZINC000572149168 358928086 /nfs/dbraw/zinc/92/80/86/358928086.db2.gz YCEMEHPEYXXFQC-OWCLPIDISA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](CNC[C@@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC[C@@H](C)C1 ZINC000572149168 358928088 /nfs/dbraw/zinc/92/80/88/358928088.db2.gz YCEMEHPEYXXFQC-OWCLPIDISA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](CNC[C@@H](O)C[NH+](C)CCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000572149168 358928090 /nfs/dbraw/zinc/92/80/90/358928090.db2.gz YCEMEHPEYXXFQC-OWCLPIDISA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](CNC[C@@H](O)C[NH+](C)CCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000572149168 358928092 /nfs/dbraw/zinc/92/80/92/358928092.db2.gz YCEMEHPEYXXFQC-OWCLPIDISA-N 2 2 296.459 0.903 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573177546 358943894 /nfs/dbraw/zinc/94/38/94/358943894.db2.gz UUDJEPLKIQCZGM-KHMAMNHCSA-N 2 2 284.400 0.390 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573177546 358943899 /nfs/dbraw/zinc/94/38/99/358943899.db2.gz UUDJEPLKIQCZGM-KHMAMNHCSA-N 2 2 284.400 0.390 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000589337246 359378753 /nfs/dbraw/zinc/37/87/53/359378753.db2.gz WZXJEKXTIJZGHJ-INIZCTEOSA-N 2 2 298.390 0.909 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000297005561 200059141 /nfs/dbraw/zinc/05/91/41/200059141.db2.gz UHMWHAPNZANDPH-UHFFFAOYSA-N 2 2 291.399 0.870 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000297005561 200059143 /nfs/dbraw/zinc/05/91/43/200059143.db2.gz UHMWHAPNZANDPH-UHFFFAOYSA-N 2 2 291.399 0.870 20 30 CCEDLP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC000593052254 360021749 /nfs/dbraw/zinc/02/17/49/360021749.db2.gz PAZSSVWVKPMKBU-CHWSQXEVSA-N 2 2 264.373 0.384 20 30 CCEDLP C[NH+](C)CCN1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC000593052254 360021750 /nfs/dbraw/zinc/02/17/50/360021750.db2.gz PAZSSVWVKPMKBU-CHWSQXEVSA-N 2 2 264.373 0.384 20 30 CCEDLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440440 360308951 /nfs/dbraw/zinc/30/89/51/360308951.db2.gz CIRHMROZNBQWEA-AWEZNQCLSA-N 2 2 296.415 0.578 20 30 CCEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000595561278 360581305 /nfs/dbraw/zinc/58/13/05/360581305.db2.gz DSQNDKKEFDSDFG-QWHCGFSZSA-N 2 2 255.362 0.038 20 30 CCEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000595561278 360581308 /nfs/dbraw/zinc/58/13/08/360581308.db2.gz DSQNDKKEFDSDFG-QWHCGFSZSA-N 2 2 255.362 0.038 20 30 CCEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000595561278 360581312 /nfs/dbraw/zinc/58/13/12/360581312.db2.gz DSQNDKKEFDSDFG-QWHCGFSZSA-N 2 2 255.362 0.038 20 30 CCEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000595561278 360581315 /nfs/dbraw/zinc/58/13/15/360581315.db2.gz DSQNDKKEFDSDFG-QWHCGFSZSA-N 2 2 255.362 0.038 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264646355 190125071 /nfs/dbraw/zinc/12/50/71/190125071.db2.gz WPIXBDWUGVDUPS-GFCCVEGCSA-N 2 2 260.341 0.658 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266891603 190288241 /nfs/dbraw/zinc/28/82/41/190288241.db2.gz DCLFYPHKXKZWSV-GFCCVEGCSA-N 2 2 277.372 0.233 20 30 CCEDLP COCC1(C#N)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000352093397 533112044 /nfs/dbraw/zinc/11/20/44/533112044.db2.gz PNNXCTAGGAWSRA-CQSZACIVSA-N 2 2 281.400 0.694 20 30 CCEDLP COCC1(C#N)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000352093397 533112048 /nfs/dbraw/zinc/11/20/48/533112048.db2.gz PNNXCTAGGAWSRA-CQSZACIVSA-N 2 2 281.400 0.694 20 30 CCEDLP C[C@H](C#N)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354970146 389035029 /nfs/dbraw/zinc/03/50/29/389035029.db2.gz BGZHVLMVQOMOBP-CHWSQXEVSA-N 2 2 278.400 0.773 20 30 CCEDLP C[C@H](C#N)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354970146 389035035 /nfs/dbraw/zinc/03/50/35/389035035.db2.gz BGZHVLMVQOMOBP-CHWSQXEVSA-N 2 2 278.400 0.773 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000329476826 389165855 /nfs/dbraw/zinc/16/58/55/389165855.db2.gz BRLFTQFXNYMDJM-GFCCVEGCSA-N 2 2 298.387 0.326 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C(=O)NCC(=O)NCC[NH+]1CCOCC1 ZINC000329476826 389165856 /nfs/dbraw/zinc/16/58/56/389165856.db2.gz BRLFTQFXNYMDJM-GFCCVEGCSA-N 2 2 298.387 0.326 20 30 CCEDLP COC[C@@H](C)NC(=[NH2+])NCc1cn2c([nH+]1)CCCC2 ZINC000262004387 389279806 /nfs/dbraw/zinc/27/98/06/389279806.db2.gz QWNUBOULZYWYON-SNVBAGLBSA-N 2 2 265.361 0.659 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365652183 389283578 /nfs/dbraw/zinc/28/35/78/389283578.db2.gz ZIWVKQQTNQNIOM-LBPRGKRZSA-N 2 2 262.357 0.902 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365652183 389283580 /nfs/dbraw/zinc/28/35/80/389283580.db2.gz ZIWVKQQTNQNIOM-LBPRGKRZSA-N 2 2 262.357 0.902 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC(C)C ZINC000262408473 389285844 /nfs/dbraw/zinc/28/58/44/389285844.db2.gz IPJOZKHORQLGHI-UHFFFAOYSA-N 2 2 252.366 0.560 20 30 CCEDLP CN(C)C(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264111997 389307032 /nfs/dbraw/zinc/30/70/32/389307032.db2.gz OYPPVCIUYJUMBC-CQSZACIVSA-N 2 2 276.384 0.764 20 30 CCEDLP CN(C)C(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264111997 389307036 /nfs/dbraw/zinc/30/70/36/389307036.db2.gz OYPPVCIUYJUMBC-CQSZACIVSA-N 2 2 276.384 0.764 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181098489 389681279 /nfs/dbraw/zinc/68/12/79/389681279.db2.gz GORZOECRODGTDU-LBPRGKRZSA-N 2 2 293.371 0.605 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181098489 389681284 /nfs/dbraw/zinc/68/12/84/389681284.db2.gz GORZOECRODGTDU-LBPRGKRZSA-N 2 2 293.371 0.605 20 30 CCEDLP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](C)C#N ZINC000429675951 389764369 /nfs/dbraw/zinc/76/43/69/389764369.db2.gz IIUAYYCUGQXIML-ZDUSSCGKSA-N 2 2 266.389 0.632 20 30 CCEDLP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](C)C#N ZINC000429675951 389764372 /nfs/dbraw/zinc/76/43/72/389764372.db2.gz IIUAYYCUGQXIML-ZDUSSCGKSA-N 2 2 266.389 0.632 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371702 389993782 /nfs/dbraw/zinc/99/37/82/389993782.db2.gz LUYFVOWFBULKJU-TZMCWYRMSA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371702 389993783 /nfs/dbraw/zinc/99/37/83/389993783.db2.gz LUYFVOWFBULKJU-TZMCWYRMSA-N 2 2 251.374 0.753 20 30 CCEDLP C=CC[C@H](CO)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564975399 390498894 /nfs/dbraw/zinc/49/88/94/390498894.db2.gz OPNCUENXXRANGY-XGUBFFRZSA-N 2 2 286.416 0.231 20 30 CCEDLP C=CC[C@H](CO)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564975399 390498898 /nfs/dbraw/zinc/49/88/98/390498898.db2.gz OPNCUENXXRANGY-XGUBFFRZSA-N 2 2 286.416 0.231 20 30 CCEDLP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000528389585 390740130 /nfs/dbraw/zinc/74/01/30/390740130.db2.gz MYPZPOUDTWIZJX-LSDHHAIUSA-N 2 2 293.411 0.695 20 30 CCEDLP N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000528389585 390740131 /nfs/dbraw/zinc/74/01/31/390740131.db2.gz MYPZPOUDTWIZJX-LSDHHAIUSA-N 2 2 293.411 0.695 20 30 CCEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC#CCO ZINC000647526158 390832976 /nfs/dbraw/zinc/83/29/76/390832976.db2.gz USVQEMJKNDOROS-OAHLLOKOSA-N 2 2 262.353 0.065 20 30 CCEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC#CCO ZINC000647526158 390832979 /nfs/dbraw/zinc/83/29/79/390832979.db2.gz USVQEMJKNDOROS-OAHLLOKOSA-N 2 2 262.353 0.065 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662324016 414709688 /nfs/dbraw/zinc/70/96/88/414709688.db2.gz SSYVQSFQOFHFQQ-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662324016 414709689 /nfs/dbraw/zinc/70/96/89/414709689.db2.gz SSYVQSFQOFHFQQ-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000662701529 414743422 /nfs/dbraw/zinc/74/34/22/414743422.db2.gz QKHAPVAXVRYIRV-UKRRQHHQSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000662701529 414743423 /nfs/dbraw/zinc/74/34/23/414743423.db2.gz QKHAPVAXVRYIRV-UKRRQHHQSA-N 2 2 281.400 0.522 20 30 CCEDLP CC#CCCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664703207 415451156 /nfs/dbraw/zinc/45/11/56/415451156.db2.gz BKQQNLVVWWWOFJ-UHFFFAOYSA-N 2 2 268.405 0.583 20 30 CCEDLP CC#CCCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664703207 415451161 /nfs/dbraw/zinc/45/11/61/415451161.db2.gz BKQQNLVVWWWOFJ-UHFFFAOYSA-N 2 2 268.405 0.583 20 30 CCEDLP C[C@H](CNC(=O)NCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000328690456 545018593 /nfs/dbraw/zinc/01/85/93/545018593.db2.gz BSFFATFYIJDCAY-CQSZACIVSA-N 2 2 298.431 0.697 20 30 CCEDLP C[C@@H]1C[NH+]=C(NCc2cccc(C[NH+]3CCOCC3)c2)N1 ZINC000262683881 262783225 /nfs/dbraw/zinc/78/32/25/262783225.db2.gz XRWDRXMBIVEBCC-CYBMUJFWSA-N 2 2 288.395 0.956 20 30 CCEDLP COCC1(C#N)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000342001441 263375191 /nfs/dbraw/zinc/37/51/91/263375191.db2.gz ZXVZPPDPDIVUKX-UHFFFAOYSA-N 2 2 294.399 0.013 20 30 CCEDLP C[C@@H]1C[NH+]=C(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)N1 ZINC000261584701 327002421 /nfs/dbraw/zinc/00/24/21/327002421.db2.gz HYEYBPXURFMPLI-HIFRSBDPSA-N 2 2 288.395 0.825 20 30 CCEDLP C[C@@H]1C[NH+]=C(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)N1 ZINC000261584701 327002423 /nfs/dbraw/zinc/00/24/23/327002423.db2.gz HYEYBPXURFMPLI-HIFRSBDPSA-N 2 2 288.395 0.825 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352456742 328751623 /nfs/dbraw/zinc/75/16/23/328751623.db2.gz AKVSBSHTNBYVBS-UHFFFAOYSA-N 2 2 268.336 0.088 20 30 CCEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000582494928 329100538 /nfs/dbraw/zinc/10/05/38/329100538.db2.gz PXMOHVURPRSLDN-UHFFFAOYSA-N 2 2 275.356 0.411 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419716017 329744544 /nfs/dbraw/zinc/74/45/44/329744544.db2.gz WQASLQLFUPMYLA-NEPJUHHUSA-N 2 2 250.346 0.919 20 30 CCEDLP C=CCN1CC[C@H]([NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1=O ZINC000420365761 329762224 /nfs/dbraw/zinc/76/22/24/329762224.db2.gz LNAVEXBIVJJDCH-FVCCEPFGSA-N 2 2 251.374 0.749 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC[C@H]1CCCO1 ZINC000262467672 330015096 /nfs/dbraw/zinc/01/50/96/330015096.db2.gz TYJBGTKOYJRNAQ-GFCCVEGCSA-N 2 2 286.445 0.379 20 30 CCEDLP C=CCCOCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423018597 330165412 /nfs/dbraw/zinc/16/54/12/330165412.db2.gz ZJLYCXGKYMJTMX-ZIAGYGMSSA-N 2 2 254.374 0.936 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@H](C)S[C@@H](C)C2)CC1 ZINC000490761174 332113399 /nfs/dbraw/zinc/11/33/99/332113399.db2.gz RSCHUWIPXWIIIR-KBPBESRZSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)(C)C#C)CC1 ZINC000491165633 332159966 /nfs/dbraw/zinc/15/99/66/332159966.db2.gz MHSNBADPOBQVCF-UHFFFAOYSA-N 2 2 261.369 0.107 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)(C)C#C)CC1 ZINC000491165633 332159967 /nfs/dbraw/zinc/15/99/67/332159967.db2.gz MHSNBADPOBQVCF-UHFFFAOYSA-N 2 2 261.369 0.107 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(C(C)C)CC2)CC1 ZINC000491210445 332167126 /nfs/dbraw/zinc/16/71/26/332167126.db2.gz UKNWOXPSPUPXET-UHFFFAOYSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000491568225 332239881 /nfs/dbraw/zinc/23/98/81/332239881.db2.gz PKYDJTVEFMJVMR-ZIAGYGMSSA-N 2 2 281.400 0.215 20 30 CCEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC#N ZINC000521996648 333229540 /nfs/dbraw/zinc/22/95/40/333229540.db2.gz ZGLPJDQWIYQMSA-LBPRGKRZSA-N 2 2 252.362 0.432 20 30 CCEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC#N ZINC000521996648 333229538 /nfs/dbraw/zinc/22/95/38/333229538.db2.gz ZGLPJDQWIYQMSA-LBPRGKRZSA-N 2 2 252.362 0.432 20 30 CCEDLP C=CCC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000567876658 334770917 /nfs/dbraw/zinc/77/09/17/334770917.db2.gz WFOPMMLVMGTDPD-TUVASFSCSA-N 2 2 286.416 0.373 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH2+]C)C2)C1=O ZINC000580774810 335267818 /nfs/dbraw/zinc/26/78/18/335267818.db2.gz WHAYSWKUBJTAIU-STQMWFEESA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH2+]C)C2)C1=O ZINC000580774810 335267819 /nfs/dbraw/zinc/26/78/19/335267819.db2.gz WHAYSWKUBJTAIU-STQMWFEESA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCSCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577503973 335360947 /nfs/dbraw/zinc/36/09/47/335360947.db2.gz XTURKEJINUQKTA-HZSPNIEDSA-N 2 2 288.457 0.965 20 30 CCEDLP C=CCSCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577503973 335360948 /nfs/dbraw/zinc/36/09/48/335360948.db2.gz XTURKEJINUQKTA-HZSPNIEDSA-N 2 2 288.457 0.965 20 30 CCEDLP CC(C)[C@H](CNC(=[NH2+])N(C)C1CC1)[NH+]1CCN(C)CC1 ZINC000305814373 649880375 /nfs/dbraw/zinc/88/03/75/649880375.db2.gz LIGNIXLGLSNOAR-AWEZNQCLSA-N 2 2 281.448 0.667 20 30 CCEDLP COCCO[NH+]=C(N)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000725792002 581133930 /nfs/dbraw/zinc/13/39/30/581133930.db2.gz DSNUOWOGOOJUHM-UHFFFAOYSA-N 2 2 293.367 0.802 20 30 CCEDLP C[NH+]1CCN(c2ncc(C=[NH+]OCC(F)F)cn2)CC1 ZINC000758906366 581775566 /nfs/dbraw/zinc/77/55/66/581775566.db2.gz GCOVZFYKCADTIC-UHFFFAOYSA-N 2 2 285.298 0.844 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000732058270 581800374 /nfs/dbraw/zinc/80/03/74/581800374.db2.gz QVQUBFZWECIGMH-ZNMIVQPWSA-N 2 2 275.396 0.827 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000732058270 581800377 /nfs/dbraw/zinc/80/03/77/581800377.db2.gz QVQUBFZWECIGMH-ZNMIVQPWSA-N 2 2 275.396 0.827 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000732058270 581800381 /nfs/dbraw/zinc/80/03/81/581800381.db2.gz QVQUBFZWECIGMH-ZNMIVQPWSA-N 2 2 275.396 0.827 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000732058270 581800386 /nfs/dbraw/zinc/80/03/86/581800386.db2.gz QVQUBFZWECIGMH-ZNMIVQPWSA-N 2 2 275.396 0.827 20 30 CCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2(CO)COC2)cc1 ZINC000761848385 581922355 /nfs/dbraw/zinc/92/23/55/581922355.db2.gz HETXZHCXMYMHTN-UHFFFAOYSA-N 2 2 293.367 0.394 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCC(C)C)CC1 ZINC000748814047 581988263 /nfs/dbraw/zinc/98/82/63/581988263.db2.gz SWNVULSMOYAQHT-UHFFFAOYSA-N 2 2 265.401 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCC(C)C)CC1 ZINC000748814047 581988265 /nfs/dbraw/zinc/98/82/65/581988265.db2.gz SWNVULSMOYAQHT-UHFFFAOYSA-N 2 2 265.401 0.742 20 30 CCEDLP N#CCCN(CC[NH+]1CCCC1)CC[NH+]1CCOCC1 ZINC000764405136 582045141 /nfs/dbraw/zinc/04/51/41/582045141.db2.gz TUBBUYRZZPYEHF-UHFFFAOYSA-N 2 2 280.416 0.630 20 30 CCEDLP NC(=[NH+]OCCCO)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000776297935 582068322 /nfs/dbraw/zinc/06/83/22/582068322.db2.gz UQDAQOGYUJZXET-UHFFFAOYSA-N 2 2 293.367 0.538 20 30 CCEDLP C#CCOCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000755903931 612977154 /nfs/dbraw/zinc/97/71/54/612977154.db2.gz LCAOKFZXLRFHNZ-UHFFFAOYSA-N 2 2 295.427 0.511 20 30 CCEDLP C#CCOCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755903931 612977155 /nfs/dbraw/zinc/97/71/55/612977155.db2.gz LCAOKFZXLRFHNZ-UHFFFAOYSA-N 2 2 295.427 0.511 20 30 CCEDLP C#CCC[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981080342 613002583 /nfs/dbraw/zinc/00/25/83/613002583.db2.gz XLOPWGVHFOIFLW-UHFFFAOYSA-N 2 2 274.368 0.900 20 30 CCEDLP C#CCC[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981080342 613002584 /nfs/dbraw/zinc/00/25/84/613002584.db2.gz XLOPWGVHFOIFLW-UHFFFAOYSA-N 2 2 274.368 0.900 20 30 CCEDLP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968797025 613146035 /nfs/dbraw/zinc/14/60/35/613146035.db2.gz RBTZVWASLWJQPB-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968797025 613146036 /nfs/dbraw/zinc/14/60/36/613146036.db2.gz RBTZVWASLWJQPB-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968797025 613146037 /nfs/dbraw/zinc/14/60/37/613146037.db2.gz RBTZVWASLWJQPB-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968797025 613146038 /nfs/dbraw/zinc/14/60/38/613146038.db2.gz RBTZVWASLWJQPB-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000887340834 613184681 /nfs/dbraw/zinc/18/46/81/613184681.db2.gz NRJNGJGMOZMBEE-AWEZNQCLSA-N 2 2 289.383 0.670 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000887340834 613184683 /nfs/dbraw/zinc/18/46/83/613184683.db2.gz NRJNGJGMOZMBEE-AWEZNQCLSA-N 2 2 289.383 0.670 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903202 613195629 /nfs/dbraw/zinc/19/56/29/613195629.db2.gz PWAJKEUGFANRNQ-KGLIPLIRSA-N 2 2 261.369 0.391 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903202 613195630 /nfs/dbraw/zinc/19/56/30/613195630.db2.gz PWAJKEUGFANRNQ-KGLIPLIRSA-N 2 2 261.369 0.391 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968656163 613219117 /nfs/dbraw/zinc/21/91/17/613219117.db2.gz XSAJONOENQWMAP-TZMCWYRMSA-N 2 2 274.368 0.651 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968656163 613219118 /nfs/dbraw/zinc/21/91/18/613219118.db2.gz XSAJONOENQWMAP-TZMCWYRMSA-N 2 2 274.368 0.651 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948086049 613261699 /nfs/dbraw/zinc/26/16/99/613261699.db2.gz JHGGZUXHGKRDDT-STQMWFEESA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948086049 613261702 /nfs/dbraw/zinc/26/17/02/613261702.db2.gz JHGGZUXHGKRDDT-STQMWFEESA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974733275 613299213 /nfs/dbraw/zinc/29/92/13/613299213.db2.gz SLALYJPPQKYJDD-KGLIPLIRSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974733275 613299215 /nfs/dbraw/zinc/29/92/15/613299215.db2.gz SLALYJPPQKYJDD-KGLIPLIRSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733275 613299217 /nfs/dbraw/zinc/29/92/17/613299217.db2.gz SLALYJPPQKYJDD-KGLIPLIRSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733275 613299218 /nfs/dbraw/zinc/29/92/18/613299218.db2.gz SLALYJPPQKYJDD-KGLIPLIRSA-N 2 2 277.412 0.931 20 30 CCEDLP CC#CC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716899 613548086 /nfs/dbraw/zinc/54/80/86/613548086.db2.gz UIXDOAURRDXKON-UHFFFAOYSA-N 2 2 274.368 0.831 20 30 CCEDLP CC#CC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716899 613548089 /nfs/dbraw/zinc/54/80/89/613548089.db2.gz UIXDOAURRDXKON-UHFFFAOYSA-N 2 2 274.368 0.831 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930353 613598763 /nfs/dbraw/zinc/59/87/63/613598763.db2.gz ROCIZFNKOAFBFU-KGLIPLIRSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947930353 613598764 /nfs/dbraw/zinc/59/87/64/613598764.db2.gz ROCIZFNKOAFBFU-KGLIPLIRSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972990792 613609079 /nfs/dbraw/zinc/60/90/79/613609079.db2.gz AVRCRFALQDRGNV-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972990792 613609081 /nfs/dbraw/zinc/60/90/81/613609081.db2.gz AVRCRFALQDRGNV-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972990792 613609082 /nfs/dbraw/zinc/60/90/82/613609082.db2.gz AVRCRFALQDRGNV-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972990792 613609084 /nfs/dbraw/zinc/60/90/84/613609084.db2.gz AVRCRFALQDRGNV-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000924984444 613675697 /nfs/dbraw/zinc/67/56/97/613675697.db2.gz VCXCWELAABHYLO-LBPRGKRZSA-N 2 2 251.374 0.751 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000884041015 613877334 /nfs/dbraw/zinc/87/73/34/613877334.db2.gz JYCAJJPWJJDDFS-RYUDHWBXSA-N 2 2 285.388 0.265 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884192273 613878853 /nfs/dbraw/zinc/87/88/53/613878853.db2.gz AXBGARDOFQIPQZ-XQQFMLRXSA-N 2 2 295.383 0.176 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884192273 613878854 /nfs/dbraw/zinc/87/88/54/613878854.db2.gz AXBGARDOFQIPQZ-XQQFMLRXSA-N 2 2 295.383 0.176 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCC#N ZINC000854024855 615879185 /nfs/dbraw/zinc/87/91/85/615879185.db2.gz CUFBUPPADIDRGF-UHFFFAOYSA-N 2 2 255.366 0.083 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCC#N ZINC000854024855 615879187 /nfs/dbraw/zinc/87/91/87/615879187.db2.gz CUFBUPPADIDRGF-UHFFFAOYSA-N 2 2 255.366 0.083 20 30 CCEDLP CN(C)c1ncc(C=[NH+]NCCC[NH+]2CCOCC2)cn1 ZINC000814923372 616035705 /nfs/dbraw/zinc/03/57/05/616035705.db2.gz GHDMFBDYMJCVGG-UHFFFAOYSA-N 2 2 292.387 0.188 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001026364108 625414055 /nfs/dbraw/zinc/41/40/55/625414055.db2.gz CFBDNJQJFWHNIW-KWCYVHTRSA-N 2 2 272.352 0.412 20 30 CCEDLP C#CC[NH2+]C1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001026592677 625477406 /nfs/dbraw/zinc/47/74/06/625477406.db2.gz KZTOWQMZHGNIIV-UHFFFAOYSA-N 2 2 274.368 0.613 20 30 CCEDLP CNC(NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000161484144 622849082 /nfs/dbraw/zinc/84/90/82/622849082.db2.gz PFCIGQQAUBQKEI-PHIMTYICSA-N 2 2 256.394 0.669 20 30 CCEDLP CNC(NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)=[NH+]C ZINC000161484144 622849084 /nfs/dbraw/zinc/84/90/84/622849084.db2.gz PFCIGQQAUBQKEI-PHIMTYICSA-N 2 2 256.394 0.669 20 30 CCEDLP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024375098 623299949 /nfs/dbraw/zinc/29/99/49/623299949.db2.gz LYXALNWEESYLDG-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024375098 623299960 /nfs/dbraw/zinc/29/99/60/623299960.db2.gz LYXALNWEESYLDG-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375098 623299969 /nfs/dbraw/zinc/29/99/69/623299969.db2.gz LYXALNWEESYLDG-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024375098 623299974 /nfs/dbraw/zinc/29/99/74/623299974.db2.gz LYXALNWEESYLDG-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001022304537 624918333 /nfs/dbraw/zinc/91/83/33/624918333.db2.gz YHNHZLWKGWYMPH-UPJWGTAASA-N 2 2 272.352 0.316 20 30 CCEDLP C[C@@]1(C[NH+]2CCN(CCC#N)CC2)CCC[NH2+]C1 ZINC000904385388 634740945 /nfs/dbraw/zinc/74/09/45/634740945.db2.gz XCQCQHIIUIMSLE-CQSZACIVSA-N 2 2 250.390 0.907 20 30 CCEDLP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001009595976 650151113 /nfs/dbraw/zinc/15/11/13/650151113.db2.gz RFRJQFQFQUFDHY-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001009595976 650151116 /nfs/dbraw/zinc/15/11/16/650151116.db2.gz RFRJQFQFQUFDHY-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009595976 650151118 /nfs/dbraw/zinc/15/11/18/650151118.db2.gz RFRJQFQFQUFDHY-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009595976 650151119 /nfs/dbraw/zinc/15/11/19/650151119.db2.gz RFRJQFQFQUFDHY-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC000992925485 637640960 /nfs/dbraw/zinc/64/09/60/637640960.db2.gz PCFLLWLTPFMBKB-SOUVJXGZSA-N 2 2 286.379 0.733 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994506653 637955380 /nfs/dbraw/zinc/95/53/80/637955380.db2.gz LNFKGAWXSFZPRS-OLZOCXBDSA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994506653 637955382 /nfs/dbraw/zinc/95/53/82/637955382.db2.gz LNFKGAWXSFZPRS-OLZOCXBDSA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001000859695 639179074 /nfs/dbraw/zinc/17/90/74/639179074.db2.gz DHDMCHFFBPEQHX-OAHLLOKOSA-N 2 2 298.390 0.827 20 30 CCEDLP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001000859695 639179081 /nfs/dbraw/zinc/17/90/81/639179081.db2.gz DHDMCHFFBPEQHX-OAHLLOKOSA-N 2 2 298.390 0.827 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015599888 650588411 /nfs/dbraw/zinc/58/84/11/650588411.db2.gz WUJSKBMENFJPDD-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015599888 650588415 /nfs/dbraw/zinc/58/84/15/650588415.db2.gz WUJSKBMENFJPDD-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015599888 650588418 /nfs/dbraw/zinc/58/84/18/650588418.db2.gz WUJSKBMENFJPDD-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015599888 650588419 /nfs/dbraw/zinc/58/84/19/650588419.db2.gz WUJSKBMENFJPDD-HUUCEWRRSA-N 2 2 293.411 0.309 20 30 CCEDLP C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000847023017 643478872 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N#Cc1ccc2c(c1)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001157937599 801532141 /nfs/dbraw/zinc/53/21/41/801532141.db2.gz XOSXUMXHBOHVHN-UHFFFAOYSA-N 2 2 284.363 0.524 20 30 CCEDLP Cc1ncc(C#N)c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258866 801608964 /nfs/dbraw/zinc/60/89/64/801608964.db2.gz KLOKDURNLKWIEL-ZDUSSCGKSA-N 2 2 286.383 0.659 20 30 CCEDLP Cc1ncc(C#N)c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258866 801608966 /nfs/dbraw/zinc/60/89/66/801608966.db2.gz KLOKDURNLKWIEL-ZDUSSCGKSA-N 2 2 286.383 0.659 20 30 CCEDLP N#CCc1cncc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158270963 801610123 /nfs/dbraw/zinc/61/01/23/801610123.db2.gz WDRQWHHBSOGGQY-GFCCVEGCSA-N 2 2 286.383 0.544 20 30 CCEDLP N#CCc1cncc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158270963 801610127 /nfs/dbraw/zinc/61/01/27/801610127.db2.gz WDRQWHHBSOGGQY-GFCCVEGCSA-N 2 2 286.383 0.544 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)CC1 ZINC001160431708 801939716 /nfs/dbraw/zinc/93/97/16/801939716.db2.gz BFKLQYUKLLDYOQ-AWEZNQCLSA-N 3 2 282.432 0.376 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166966993 803001083 /nfs/dbraw/zinc/00/10/83/803001083.db2.gz GASKDYQYILMMIK-CHWSQXEVSA-N 2 2 274.368 0.643 20 30 CCEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001276468269 803086446 /nfs/dbraw/zinc/08/64/46/803086446.db2.gz IJBWVDKASCPPQH-LBPRGKRZSA-N 2 2 262.357 0.896 20 30 CCEDLP CC#CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872376 803297344 /nfs/dbraw/zinc/29/73/44/803297344.db2.gz ASRJXIKBQLIUPC-UHFFFAOYSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985871 803562381 /nfs/dbraw/zinc/56/23/81/803562381.db2.gz ZSKXDLNXBPUDKP-MGPQQGTHSA-N 2 2 274.368 0.904 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985871 803562383 /nfs/dbraw/zinc/56/23/83/803562383.db2.gz ZSKXDLNXBPUDKP-MGPQQGTHSA-N 2 2 274.368 0.904 20 30 CCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200234 803783061 /nfs/dbraw/zinc/78/30/61/803783061.db2.gz UFZMIQQWVCZBOJ-ZIAGYGMSSA-N 2 2 288.395 0.813 20 30 CCEDLP C#Cc1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)ccn1 ZINC001218524807 803986399 /nfs/dbraw/zinc/98/63/99/803986399.db2.gz OIIZKBXCXHPHNL-OAHLLOKOSA-N 2 2 280.331 0.696 20 30 CCEDLP N#Cc1cc2cccnc2nc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218544638 803998154 /nfs/dbraw/zinc/99/81/54/803998154.db2.gz ZVYADWRUOOKWCG-JTQLQIEISA-N 2 2 270.296 0.116 20 30 CCEDLP Cc1nc(C#N)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001218649529 804058608 /nfs/dbraw/zinc/05/86/08/804058608.db2.gz DHAKGLTVLBAQDH-MRVPVSSYSA-N 2 2 260.257 0.086 20 30 CCEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1C(=O)NCC[NH3+] ZINC001219870686 804435268 /nfs/dbraw/zinc/43/52/68/804435268.db2.gz PRXGFZNOYAEXKT-HNNXBMFYSA-N 2 2 286.379 0.988 20 30 CCEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH3+] ZINC001219870686 804435272 /nfs/dbraw/zinc/43/52/72/804435272.db2.gz PRXGFZNOYAEXKT-HNNXBMFYSA-N 2 2 286.379 0.988 20 30 CCEDLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cccc(C#N)c1 ZINC001220046928 804484474 /nfs/dbraw/zinc/48/44/74/804484474.db2.gz KEXGSCZQHXRKLS-HZUKXOBISA-N 2 2 284.363 0.687 20 30 CCEDLP N#C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001220094630 804498054 /nfs/dbraw/zinc/49/80/54/804498054.db2.gz BYCLJCJISRFKPI-PJSNJIKXSA-N 2 2 262.357 0.135 20 30 CCEDLP C#Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1 ZINC001220382540 804589012 /nfs/dbraw/zinc/58/90/12/804589012.db2.gz ZWFLYBVXLTZHQR-GDBMZVCRSA-N 2 2 269.348 0.236 20 30 CCEDLP CC1(C)CC(=O)C=C(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001220413250 804598266 /nfs/dbraw/zinc/59/82/66/804598266.db2.gz CICVVWFRJGVSAH-MEBBXXQBSA-N 2 2 277.368 0.327 20 30 CCEDLP C=C1CC=C(F)C=C1NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220797313 804668476 /nfs/dbraw/zinc/66/84/76/804668476.db2.gz NTOQADDJWYFOPO-TVYUQYBPSA-N 2 2 263.316 0.750 20 30 CCEDLP N#CC1(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCOCC1 ZINC001220967038 804710285 /nfs/dbraw/zinc/71/02/85/804710285.db2.gz PCMHFIWMOISUMG-CYBMUJFWSA-N 2 2 288.351 0.448 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001276955727 805014220 /nfs/dbraw/zinc/01/42/20/805014220.db2.gz IKACDGIPEWIJPR-GJZGRUSLSA-N 2 2 295.427 0.413 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001276955727 805014230 /nfs/dbraw/zinc/01/42/30/805014230.db2.gz IKACDGIPEWIJPR-GJZGRUSLSA-N 2 2 295.427 0.413 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225936261 805177901 /nfs/dbraw/zinc/17/79/01/805177901.db2.gz MDHDQDFLCCQYOZ-CHWSQXEVSA-N 2 2 274.368 0.993 20 30 CCEDLP C=CCOC1CCC([N@@H+]2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246932757 807433178 /nfs/dbraw/zinc/43/31/78/807433178.db2.gz HKVNCHBPZVHHHN-NWINJMCUSA-N 2 2 282.384 0.932 20 30 CCEDLP C=CCOC1CCC([N@H+]2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246932757 807433182 /nfs/dbraw/zinc/43/31/82/807433182.db2.gz HKVNCHBPZVHHHN-NWINJMCUSA-N 2 2 282.384 0.932 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001251851328 807719759 /nfs/dbraw/zinc/71/97/59/807719759.db2.gz IWSMJCWYVHYLCU-CQSZACIVSA-N 2 2 263.341 0.531 20 30 CCEDLP C=CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252462655 807875828 /nfs/dbraw/zinc/87/58/28/807875828.db2.gz IQDOBQPELFNPIA-SOUVJXGZSA-N 2 2 284.400 0.202 20 30 CCEDLP C=CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252462655 807875837 /nfs/dbraw/zinc/87/58/37/807875837.db2.gz IQDOBQPELFNPIA-SOUVJXGZSA-N 2 2 284.400 0.202 20 30 CCEDLP C=CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252462655 807875846 /nfs/dbraw/zinc/87/58/46/807875846.db2.gz IQDOBQPELFNPIA-SOUVJXGZSA-N 2 2 284.400 0.202 20 30 CCEDLP C=CCOC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252462655 807875855 /nfs/dbraw/zinc/87/58/55/807875855.db2.gz IQDOBQPELFNPIA-SOUVJXGZSA-N 2 2 284.400 0.202 20 30 CCEDLP C=CCN1CCC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001253408525 808060945 /nfs/dbraw/zinc/06/09/45/808060945.db2.gz DSEVOMZYNLMNTB-STQMWFEESA-N 2 2 283.416 0.502 20 30 CCEDLP C#CC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CCOC ZINC001279055955 808641373 /nfs/dbraw/zinc/64/13/73/808641373.db2.gz HVZFVPYPUYRYAQ-UHFFFAOYSA-N 2 2 295.427 0.416 20 30 CCEDLP C#CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CCOC ZINC001279055955 808641378 /nfs/dbraw/zinc/64/13/78/808641378.db2.gz HVZFVPYPUYRYAQ-UHFFFAOYSA-N 2 2 295.427 0.416 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107483 815244832 /nfs/dbraw/zinc/24/48/32/815244832.db2.gz YKELLFCYQDBCGU-LSDHHAIUSA-N 2 2 286.379 0.829 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107483 815244834 /nfs/dbraw/zinc/24/48/34/815244834.db2.gz YKELLFCYQDBCGU-LSDHHAIUSA-N 2 2 286.379 0.829 20 30 CCEDLP C#CC[NH2+]CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001263101207 809443287 /nfs/dbraw/zinc/44/32/87/809443287.db2.gz LPAISDYFHPXATQ-UHFFFAOYSA-N 2 2 270.336 0.524 20 30 CCEDLP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264738877 809675907 /nfs/dbraw/zinc/67/59/07/809675907.db2.gz JNNKLJXGXDHPBB-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264738877 809675911 /nfs/dbraw/zinc/67/59/11/809675911.db2.gz JNNKLJXGXDHPBB-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264738877 809675913 /nfs/dbraw/zinc/67/59/13/809675913.db2.gz JNNKLJXGXDHPBB-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264738877 809675915 /nfs/dbraw/zinc/67/59/15/809675915.db2.gz JNNKLJXGXDHPBB-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C#CCC[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265832621 809868413 /nfs/dbraw/zinc/86/84/13/809868413.db2.gz NZGYBHTUMPDMIX-CHWSQXEVSA-N 2 2 262.357 0.952 20 30 CCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001265942158 809899749 /nfs/dbraw/zinc/89/97/49/809899749.db2.gz WXQDMKUWBGSZEB-ZDUSSCGKSA-N 2 2 292.383 0.654 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001280415849 810018266 /nfs/dbraw/zinc/01/82/66/810018266.db2.gz PCYNUSNEYAKVEQ-HUUCEWRRSA-N 2 2 297.443 0.966 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001280415849 810018272 /nfs/dbraw/zinc/01/82/72/810018272.db2.gz PCYNUSNEYAKVEQ-HUUCEWRRSA-N 2 2 297.443 0.966 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267668114 811633239 /nfs/dbraw/zinc/63/32/39/811633239.db2.gz XRKCOYMUAXVKOQ-AWEZNQCLSA-N 2 2 283.416 0.576 20 30 CCEDLP CC(C)C[C@](C)(C#N)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221292406 811765456 /nfs/dbraw/zinc/76/54/56/811765456.db2.gz LFPBMLMFFWIEKN-WCQYABFASA-N 2 2 263.345 0.724 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001268026001 811996621 /nfs/dbraw/zinc/99/66/21/811996621.db2.gz LCUSGJIUNHPHCB-HNNXBMFYSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001268026001 811996625 /nfs/dbraw/zinc/99/66/25/811996625.db2.gz LCUSGJIUNHPHCB-HNNXBMFYSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001268267188 812430686 /nfs/dbraw/zinc/43/06/86/812430686.db2.gz XSRUMPXYVQRVOZ-HNNXBMFYSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001268267188 812430690 /nfs/dbraw/zinc/43/06/90/812430690.db2.gz XSRUMPXYVQRVOZ-HNNXBMFYSA-N 2 2 295.427 0.864 20 30 CCEDLP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268560965 812799989 /nfs/dbraw/zinc/79/99/89/812799989.db2.gz NLBOLUXYLRBPQE-WSNITJDQSA-N 2 2 286.379 0.731 20 30 CCEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270693011 813896637 /nfs/dbraw/zinc/89/66/37/813896637.db2.gz WVBZIYPHMZWNFT-UONOGXRCSA-N 2 2 281.400 0.167 20 30 CCEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270693011 813896649 /nfs/dbraw/zinc/89/66/49/813896649.db2.gz WVBZIYPHMZWNFT-UONOGXRCSA-N 2 2 281.400 0.167 20 30 CCEDLP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001271191338 814328818 /nfs/dbraw/zinc/32/88/18/814328818.db2.gz CUZHPBSVDAOVHL-OAHLLOKOSA-N 2 2 292.383 0.471 20 30 CCEDLP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001271191338 814328824 /nfs/dbraw/zinc/32/88/24/814328824.db2.gz CUZHPBSVDAOVHL-OAHLLOKOSA-N 2 2 292.383 0.471 20 30 CCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001271548691 814473234 /nfs/dbraw/zinc/47/32/34/814473234.db2.gz FQBDOOYOYUMRHU-ZIAGYGMSSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030322412 815976292 /nfs/dbraw/zinc/97/62/92/815976292.db2.gz AHKLEZQSTHVCQS-CQSZACIVSA-N 2 2 261.369 0.152 20 30 CCEDLP Cc1ccnc(C#N)c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168746301 818627245 /nfs/dbraw/zinc/62/72/45/818627245.db2.gz IVNNHTRULHBXQY-UHFFFAOYSA-N 2 2 258.329 0.856 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001033669283 818877360 /nfs/dbraw/zinc/87/73/60/818877360.db2.gz QDYCQYSGKXEFDA-CQSZACIVSA-N 2 2 274.368 0.748 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033788861 818934719 /nfs/dbraw/zinc/93/47/19/818934719.db2.gz KPENPZMAYOWZRV-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033788861 818934726 /nfs/dbraw/zinc/93/47/26/818934726.db2.gz KPENPZMAYOWZRV-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001033788861 818934735 /nfs/dbraw/zinc/93/47/35/818934735.db2.gz KPENPZMAYOWZRV-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001033788861 818934741 /nfs/dbraw/zinc/93/47/41/818934741.db2.gz KPENPZMAYOWZRV-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033789961 818937628 /nfs/dbraw/zinc/93/76/28/818937628.db2.gz RQTAWCQFEWPVBJ-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033789961 818937634 /nfs/dbraw/zinc/93/76/34/818937634.db2.gz RQTAWCQFEWPVBJ-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001033789961 818937641 /nfs/dbraw/zinc/93/76/41/818937641.db2.gz RQTAWCQFEWPVBJ-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001033789961 818937646 /nfs/dbraw/zinc/93/76/46/818937646.db2.gz RQTAWCQFEWPVBJ-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035306116 819457033 /nfs/dbraw/zinc/45/70/33/819457033.db2.gz HJJWAPIPDYIMPM-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035306116 819457034 /nfs/dbraw/zinc/45/70/34/819457034.db2.gz HJJWAPIPDYIMPM-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035306116 819457037 /nfs/dbraw/zinc/45/70/37/819457037.db2.gz HJJWAPIPDYIMPM-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035306116 819457039 /nfs/dbraw/zinc/45/70/39/819457039.db2.gz HJJWAPIPDYIMPM-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C(C)C)CCO1 ZINC001035403094 819508527 /nfs/dbraw/zinc/50/85/27/819508527.db2.gz UTCAZZHNDRRFME-GJZGRUSLSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001035403094 819508533 /nfs/dbraw/zinc/50/85/33/819508533.db2.gz UTCAZZHNDRRFME-GJZGRUSLSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C(C)C)CCO1 ZINC001035403094 819508540 /nfs/dbraw/zinc/50/85/40/819508540.db2.gz UTCAZZHNDRRFME-GJZGRUSLSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C(C)C)CCO1 ZINC001035403094 819508547 /nfs/dbraw/zinc/50/85/47/819508547.db2.gz UTCAZZHNDRRFME-GJZGRUSLSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035804314 819631386 /nfs/dbraw/zinc/63/13/86/819631386.db2.gz MYKFBULWCMKTBB-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079526732 820423386 /nfs/dbraw/zinc/42/33/86/820423386.db2.gz QMVOWUHXSZZPER-MCIONIFRSA-N 2 2 281.400 0.330 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079526732 820423390 /nfs/dbraw/zinc/42/33/90/820423390.db2.gz QMVOWUHXSZZPER-MCIONIFRSA-N 2 2 281.400 0.330 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079526732 820423393 /nfs/dbraw/zinc/42/33/93/820423393.db2.gz QMVOWUHXSZZPER-MCIONIFRSA-N 2 2 281.400 0.330 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079526732 820423397 /nfs/dbraw/zinc/42/33/97/820423397.db2.gz QMVOWUHXSZZPER-MCIONIFRSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082326510 820940250 /nfs/dbraw/zinc/94/02/50/820940250.db2.gz GXTFWAPNTMDMBK-ZIAGYGMSSA-N 2 2 292.383 0.354 20 30 CCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082326510 820940255 /nfs/dbraw/zinc/94/02/55/820940255.db2.gz GXTFWAPNTMDMBK-ZIAGYGMSSA-N 2 2 292.383 0.354 20 30 CCEDLP C=CCn1nnnc1N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001119715871 821422621 /nfs/dbraw/zinc/42/26/21/821422621.db2.gz CUCMVFHMBOTSIB-UHFFFAOYSA-N 2 2 293.419 0.321 20 30 CCEDLP C=CCn1nnnc1N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001119715871 821422624 /nfs/dbraw/zinc/42/26/24/821422624.db2.gz CUCMVFHMBOTSIB-UHFFFAOYSA-N 2 2 293.419 0.321 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001086194636 822150121 /nfs/dbraw/zinc/15/01/21/822150121.db2.gz IOFVTTFARJIBRS-XQQFMLRXSA-N 2 2 286.379 0.947 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488351 837809851 /nfs/dbraw/zinc/80/98/51/837809851.db2.gz PLGXATSNESJULC-LBPRGKRZSA-N 2 2 260.341 0.175 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001183731813 844081554 /nfs/dbraw/zinc/08/15/54/844081554.db2.gz VIJLUYZHOSHCEC-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001184903756 844307507 /nfs/dbraw/zinc/30/75/07/844307507.db2.gz OPHIRMHKQSWQNM-HUUCEWRRSA-N 2 2 288.395 0.981 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132024479 838292731 /nfs/dbraw/zinc/29/27/31/838292731.db2.gz GUHJQKRUMBKCIA-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132024479 838292738 /nfs/dbraw/zinc/29/27/38/838292738.db2.gz GUHJQKRUMBKCIA-QWHCGFSZSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784348 838495061 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20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001340609303 922138240 /nfs/dbraw/zinc/13/82/40/922138240.db2.gz JFALWKUAJWOINU-MJBXVCDLSA-N 2 2 283.416 0.895 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001342217840 922863891 /nfs/dbraw/zinc/86/38/91/922863891.db2.gz FQZOBIPYTCPEJN-KGLIPLIRSA-N 2 2 281.400 0.603 20 30 CCEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576183 349738797 /nfs/dbraw/zinc/73/87/97/349738797.db2.gz PDZVUHWJUQKTDM-BETUJISGSA-N 2 2 251.374 0.562 20 30 CCEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576183 349738800 /nfs/dbraw/zinc/73/88/00/349738800.db2.gz PDZVUHWJUQKTDM-BETUJISGSA-N 2 2 251.374 0.562 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000600742003 362051301 /nfs/dbraw/zinc/05/13/01/362051301.db2.gz HXBOXURGYKAZTJ-UONOGXRCSA-N 2 2 281.400 0.478 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000600742003 362051303 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C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266347882 790561545 /nfs/dbraw/zinc/56/15/45/790561545.db2.gz TZEJMZLLLYTOCJ-STQMWFEESA-N 2 2 274.368 0.802 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266347882 790561551 /nfs/dbraw/zinc/56/15/51/790561551.db2.gz TZEJMZLLLYTOCJ-STQMWFEESA-N 2 2 274.368 0.802 20 30 CCEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267042705 791473962 /nfs/dbraw/zinc/47/39/62/791473962.db2.gz CDBGGFCNRNXCCV-GFCCVEGCSA-N 2 2 262.357 0.966 20 30 CCEDLP C=CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267042705 791473967 /nfs/dbraw/zinc/47/39/67/791473967.db2.gz CDBGGFCNRNXCCV-GFCCVEGCSA-N 2 2 262.357 0.966 20 30 CCEDLP C=CC[N@H+](CC)CCNC(=O)CCn1cc[nH+]c1 ZINC001267247581 793240998 /nfs/dbraw/zinc/24/09/98/793240998.db2.gz RWDWVOVGKABXIL-UHFFFAOYSA-N 2 2 250.346 0.897 20 30 CCEDLP C=CC[N@@H+](CC)CCNC(=O)CCn1cc[nH+]c1 ZINC001267247581 793241003 /nfs/dbraw/zinc/24/10/03/793241003.db2.gz RWDWVOVGKABXIL-UHFFFAOYSA-N 2 2 250.346 0.897 20 30 CCEDLP C#CC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001278282080 806806277 /nfs/dbraw/zinc/80/62/77/806806277.db2.gz MEBFICZCDYGPHX-ZDUSSCGKSA-N 2 2 274.368 0.850 20 30 CCEDLP CCCCCCCCS(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238839340 806812984 /nfs/dbraw/zinc/81/29/84/806812984.db2.gz PRWNXEGLRLDNNR-UHFFFAOYSA-N 2 2 279.450 0.815 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814269 800461206 /nfs/dbraw/zinc/46/12/06/800461206.db2.gz GQFQMPNFSFDNSR-AWEZNQCLSA-N 2 2 281.400 0.379 20 30 CCEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321045 800950426 /nfs/dbraw/zinc/95/04/26/800950426.db2.gz AVNBRPDBYUZBMW-MGPQQGTHSA-N 2 2 288.395 0.983 20 30 CCEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321045 800950430 /nfs/dbraw/zinc/95/04/30/800950430.db2.gz AVNBRPDBYUZBMW-MGPQQGTHSA-N 2 2 288.395 0.983 20 30 CCEDLP N#Cc1cc([N+](=O)[O-])cnc1NC(=[NH2+])NCCCC[NH3+] 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C#CCC[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161309280 802124352 /nfs/dbraw/zinc/12/43/52/802124352.db2.gz KTOSUMXBIKBQBR-CYBMUJFWSA-N 2 2 274.368 0.565 20 30 CCEDLP C[Si](C)(C)C#C[NH2+]Cc1nnc2n1CCC[NH2+]C2 ZINC001163017249 802460888 /nfs/dbraw/zinc/46/08/88/802460888.db2.gz BCRSXDCCCCFXCK-UHFFFAOYSA-N 2 2 263.421 0.699 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166403490 802904484 /nfs/dbraw/zinc/90/44/84/802904484.db2.gz YXEXHOUNDBWQPO-GFCCVEGCSA-N 2 2 274.368 0.949 20 30 CCEDLP C=CCOCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076452 803063135 /nfs/dbraw/zinc/06/31/35/803063135.db2.gz MQWIKSKSCSOTST-UHFFFAOYSA-N 2 2 292.383 0.666 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207925265 803467421 /nfs/dbraw/zinc/46/74/21/803467421.db2.gz ZGCMCYFLYDDNMU-CYBMUJFWSA-N 2 2 274.368 0.946 20 30 CCEDLP Cn1cc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)cc1C#N ZINC001276608464 803564528 /nfs/dbraw/zinc/56/45/28/803564528.db2.gz RAWHYUQSKYPXCZ-UHFFFAOYSA-N 2 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C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cccc(C#N)c1 ZINC001220048314 804485853 /nfs/dbraw/zinc/48/58/53/804485853.db2.gz OAQOBIOUAXTCND-XDTLVQLUSA-N 2 2 258.325 0.282 20 30 CCEDLP COC(=O)[C@H]1C[N@@H+](C2CCC(CC#N)CC2)C[C@H]1[NH3+] ZINC001246933836 807433607 /nfs/dbraw/zinc/43/36/07/807433607.db2.gz JJXRZWACBSZQJH-IFWUJCSASA-N 2 2 265.357 0.891 20 30 CCEDLP COC(=O)[C@H]1C[N@H+](C2CCC(CC#N)CC2)C[C@H]1[NH3+] ZINC001246933836 807433611 /nfs/dbraw/zinc/43/36/11/807433611.db2.gz JJXRZWACBSZQJH-IFWUJCSASA-N 2 2 265.357 0.891 20 30 CCEDLP C#CCOC[C@@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001251835472 807715258 /nfs/dbraw/zinc/71/52/58/807715258.db2.gz KYPSWNQFFRFBLW-AWEZNQCLSA-N 2 2 290.363 0.936 20 30 CCEDLP C=CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001252472312 807883758 /nfs/dbraw/zinc/88/37/58/807883758.db2.gz QSMHGNGXUPQNOJ-AWEZNQCLSA-N 2 2 254.374 0.720 20 30 CCEDLP C=C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001253577439 808086032 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C[C@H]1C(=NNCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000872371210 646251892 /nfs/dbraw/zinc/25/18/92/646251892.db2.gz JJDXLRSPCYKFCZ-LBPRGKRZSA-N 2 2 254.378 0.378 20 30 CCEDLP CCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000303782197 649825242 /nfs/dbraw/zinc/82/52/42/649825242.db2.gz MWAILFSIESEJCO-LBPRGKRZSA-N 2 2 256.394 0.658 20 30 CCEDLP Cc1cccn2cc(CCNC(=[NH2+])N3CCOCC3)[nH+]c12 ZINC000304511036 649836764 /nfs/dbraw/zinc/83/67/64/649836764.db2.gz SWBFMMCGRHTCOM-UHFFFAOYSA-N 2 2 287.367 0.832 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001266989685 791425107 /nfs/dbraw/zinc/42/51/07/791425107.db2.gz IZVIGMGMZPKZBP-LBPRGKRZSA-N 2 2 262.357 0.470 20 30 CCEDLP C#CC[N@H+](CC)CCNC(=O)CCc1[nH+]ccn1C ZINC001267246559 793238532 /nfs/dbraw/zinc/23/85/32/793238532.db2.gz FIOFOFWPXBETDI-UHFFFAOYSA-N 2 2 262.357 0.424 20 30 CCEDLP C#CC[N@@H+](CC)CCNC(=O)CCc1[nH+]ccn1C ZINC001267246559 793238540 /nfs/dbraw/zinc/23/85/40/793238540.db2.gz FIOFOFWPXBETDI-UHFFFAOYSA-N 2 2 262.357 0.424 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001277883980 806299170 /nfs/dbraw/zinc/29/91/70/806299170.db2.gz UNUXQAPGTQLMON-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001277907829 806313153 /nfs/dbraw/zinc/31/31/53/806313153.db2.gz CYJNFVXINWNWEQ-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP N#CCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277945019 806421596 /nfs/dbraw/zinc/42/15/96/806421596.db2.gz JNESNPSUKCTSAZ-CABCVRRESA-N 2 2 289.383 0.572 20 30 CCEDLP N#CCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277945019 806421600 /nfs/dbraw/zinc/42/16/00/806421600.db2.gz JNESNPSUKCTSAZ-CABCVRRESA-N 2 2 289.383 0.572 20 30 CCEDLP C#CC[NH2+]C1CC2(CC(NC(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001121019526 798984141 /nfs/dbraw/zinc/98/41/41/798984141.db2.gz CCYNJKVFVKJQKC-UHFFFAOYSA-N 2 2 286.379 0.993 20 30 CCEDLP C=CCCn1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)nn1 ZINC001122156718 799157606 /nfs/dbraw/zinc/15/76/06/799157606.db2.gz AWKHYXAQGNVJPF-UHFFFAOYSA-N 2 2 292.387 0.007 20 30 CCEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001278164350 806735313 /nfs/dbraw/zinc/73/53/13/806735313.db2.gz CPTYEGJCBADWDU-AAEUAGOBSA-N 2 2 280.372 0.231 20 30 CCEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001278164350 806735321 /nfs/dbraw/zinc/73/53/21/806735321.db2.gz CPTYEGJCBADWDU-AAEUAGOBSA-N 2 2 280.372 0.231 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663586 800357343 /nfs/dbraw/zinc/35/73/43/800357343.db2.gz MOBOTAYIHXVZPA-CYBMUJFWSA-N 2 2 292.383 0.654 20 30 CCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663586 800357350 /nfs/dbraw/zinc/35/73/50/800357350.db2.gz MOBOTAYIHXVZPA-CYBMUJFWSA-N 2 2 292.383 0.654 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345061 800624431 /nfs/dbraw/zinc/62/44/31/800624431.db2.gz NZOMBHQYHDBGBF-UHFFFAOYSA-N 2 2 250.346 0.945 20 30 CCEDLP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747866 801471155 /nfs/dbraw/zinc/47/11/55/801471155.db2.gz JNNKLJXGXDHPBB-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747866 801471158 /nfs/dbraw/zinc/47/11/58/801471158.db2.gz JNNKLJXGXDHPBB-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157747866 801471161 /nfs/dbraw/zinc/47/11/61/801471161.db2.gz JNNKLJXGXDHPBB-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157747866 801471163 /nfs/dbraw/zinc/47/11/63/801471163.db2.gz JNNKLJXGXDHPBB-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001278308331 806925924 /nfs/dbraw/zinc/92/59/24/806925924.db2.gz MTHZHMQLXCNQLE-OLZOCXBDSA-N 2 2 290.367 0.181 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001160436142 801937419 /nfs/dbraw/zinc/93/74/19/801937419.db2.gz HLYVHYXVPLUAPQ-RYUDHWBXSA-N 2 2 255.337 0.264 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(O)c2)CC1 ZINC001160432327 801940145 /nfs/dbraw/zinc/94/01/45/801940145.db2.gz TWGREPQCKFFFST-OAHLLOKOSA-N 2 2 289.379 0.592 20 30 CCEDLP N#Cc1cc(F)cnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160511216 801954591 /nfs/dbraw/zinc/95/45/91/801954591.db2.gz MKEXURLLVRHQRZ-AWEZNQCLSA-N 2 2 275.331 0.927 20 30 CCEDLP COc1ccnc(NCC[NH+]2CCC([NH3+])CC2)c1C#N ZINC001161867435 802233488 /nfs/dbraw/zinc/23/34/88/802233488.db2.gz HNPGKRHYQZZJNK-UHFFFAOYSA-N 2 2 275.356 0.797 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265306423 809753057 /nfs/dbraw/zinc/75/30/57/809753057.db2.gz PQQUHFBFCSITER-QWHCGFSZSA-N 2 2 260.341 0.658 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265306423 809753060 /nfs/dbraw/zinc/75/30/60/809753060.db2.gz PQQUHFBFCSITER-QWHCGFSZSA-N 2 2 260.341 0.658 20 30 CCEDLP N#CCc1cc[nH+]c(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC001165293369 802817001 /nfs/dbraw/zinc/81/70/01/802817001.db2.gz WRHQRWIBSKEVOX-ZIAGYGMSSA-N 2 2 272.352 0.962 20 30 CCEDLP C=CCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001276454678 803076073 /nfs/dbraw/zinc/07/60/73/803076073.db2.gz YTLFBKKYDWXKJZ-LBPRGKRZSA-N 2 2 276.384 0.975 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206921603 803309505 /nfs/dbraw/zinc/30/95/05/803309505.db2.gz YSZFQCKSGINVGQ-VXGBXAGGSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206921603 803309513 /nfs/dbraw/zinc/30/95/13/803309513.db2.gz YSZFQCKSGINVGQ-VXGBXAGGSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208300205 803502807 /nfs/dbraw/zinc/50/28/07/803502807.db2.gz XCHSLJIFEYDCDN-AWEZNQCLSA-N 2 2 274.368 0.946 20 30 CCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208300205 803502810 /nfs/dbraw/zinc/50/28/10/803502810.db2.gz XCHSLJIFEYDCDN-AWEZNQCLSA-N 2 2 274.368 0.946 20 30 CCEDLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000402130966 803813160 /nfs/dbraw/zinc/81/31/60/803813160.db2.gz DXSXRABPBWQUSH-AAEUAGOBSA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000402130966 803813169 /nfs/dbraw/zinc/81/31/69/803813169.db2.gz DXSXRABPBWQUSH-AAEUAGOBSA-N 2 2 263.341 0.577 20 30 CCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630720 803848888 /nfs/dbraw/zinc/84/88/88/803848888.db2.gz OYDSYOCRUNDWMX-UKRRQHHQSA-N 2 2 288.395 0.813 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC001218515516 803979196 /nfs/dbraw/zinc/97/91/96/803979196.db2.gz HMHWOJVHOHUJDQ-HNNXBMFYSA-N 2 2 287.367 0.123 20 30 CCEDLP COc1ccc(C#N)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218978640 804172947 /nfs/dbraw/zinc/17/29/47/804172947.db2.gz APEOTIBDBMSVCO-UWVGGRQHSA-N 2 2 260.297 0.052 20 30 CCEDLP CNc1ccc(C#N)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218982011 804175190 /nfs/dbraw/zinc/17/51/90/804175190.db2.gz ZXRKMJLNDKWPBH-HFAKWTLXSA-N 2 2 285.351 0.760 20 30 CCEDLP N#CCc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ccc1F ZINC001219518748 804337136 /nfs/dbraw/zinc/33/71/36/804337136.db2.gz WKWLYZWNHBUJFB-JQWIXIFHSA-N 2 2 262.288 0.377 20 30 CCEDLP N#C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001219557448 804348079 /nfs/dbraw/zinc/34/80/79/804348079.db2.gz AHVNZRDTVXNWAM-STQMWFEESA-N 2 2 269.308 0.661 20 30 CCEDLP N#CC1(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCC1 ZINC001219607791 804372440 /nfs/dbraw/zinc/37/24/40/804372440.db2.gz APLYFFKTNDTPBW-GFCCVEGCSA-N 2 2 258.325 0.821 20 30 CCEDLP N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1F ZINC001220449480 804607700 /nfs/dbraw/zinc/60/77/00/804607700.db2.gz WOVWFMDQKAJYIU-PWSUYJOCSA-N 2 2 262.288 0.003 20 30 CCEDLP C#CC[NH+]1CCC(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001223904233 804997294 /nfs/dbraw/zinc/99/72/94/804997294.db2.gz QQYUGYMJQQGCOA-UHFFFAOYSA-N 2 2 288.395 0.814 20 30 CCEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246307444 807217073 /nfs/dbraw/zinc/21/70/73/807217073.db2.gz MONJHZYHNGMTBH-UGFHNGPFSA-N 2 2 259.353 0.659 20 30 CCEDLP O=C1C=C2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCC2S1 ZINC001246696483 807357592 /nfs/dbraw/zinc/35/75/92/807357592.db2.gz RQWZRLAPYOBUNP-RYUDHWBXSA-N 2 2 279.409 0.355 20 30 CCEDLP O=C1C=C2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CCC2S1 ZINC001246696483 807357601 /nfs/dbraw/zinc/35/76/01/807357601.db2.gz RQWZRLAPYOBUNP-RYUDHWBXSA-N 2 2 279.409 0.355 20 30 CCEDLP O=C1C=C2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]2S1 ZINC001246696483 807357609 /nfs/dbraw/zinc/35/76/09/807357609.db2.gz RQWZRLAPYOBUNP-RYUDHWBXSA-N 2 2 279.409 0.355 20 30 CCEDLP O=C1C=C2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)CC[C@@H]2S1 ZINC001246696483 807357618 /nfs/dbraw/zinc/35/76/18/807357618.db2.gz RQWZRLAPYOBUNP-RYUDHWBXSA-N 2 2 279.409 0.355 20 30 CCEDLP COC(=O)[C@H]1C[N@@H+](C2CCC(CC#N)CC2)C[C@@H]1[NH3+] ZINC001246933838 807434379 /nfs/dbraw/zinc/43/43/79/807434379.db2.gz JJXRZWACBSZQJH-TYUFSLCMSA-N 2 2 265.357 0.891 20 30 CCEDLP COC(=O)[C@H]1C[N@H+](C2CCC(CC#N)CC2)C[C@@H]1[NH3+] ZINC001246933838 807434385 /nfs/dbraw/zinc/43/43/85/807434385.db2.gz JJXRZWACBSZQJH-TYUFSLCMSA-N 2 2 265.357 0.891 20 30 CCEDLP C=CCO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC001261639088 809039820 /nfs/dbraw/zinc/03/98/20/809039820.db2.gz UZQLLLCHBAPUQS-KBPBESRZSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CCO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC001261639088 809039824 /nfs/dbraw/zinc/03/98/24/809039824.db2.gz UZQLLLCHBAPUQS-KBPBESRZSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC001261639088 809039827 /nfs/dbraw/zinc/03/98/27/809039827.db2.gz UZQLLLCHBAPUQS-KBPBESRZSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC001261639088 809039833 /nfs/dbraw/zinc/03/98/33/809039833.db2.gz UZQLLLCHBAPUQS-KBPBESRZSA-N 2 2 256.390 0.964 20 30 CCEDLP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265401271 809772899 /nfs/dbraw/zinc/77/28/99/809772899.db2.gz OXBZRCYULCQYRL-CQSZACIVSA-N 2 2 274.368 0.687 20 30 CCEDLP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265401271 809772902 /nfs/dbraw/zinc/77/29/02/809772902.db2.gz OXBZRCYULCQYRL-CQSZACIVSA-N 2 2 274.368 0.687 20 30 CCEDLP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265791880 809854993 /nfs/dbraw/zinc/85/49/93/809854993.db2.gz CIMUPFYXMQVPIP-NWDGAFQWSA-N 2 2 260.341 0.173 20 30 CCEDLP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001268267189 812430919 /nfs/dbraw/zinc/43/09/19/812430919.db2.gz XSRUMPXYVQRVOZ-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001268267189 812430923 /nfs/dbraw/zinc/43/09/23/812430923.db2.gz XSRUMPXYVQRVOZ-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268560963 812799520 /nfs/dbraw/zinc/79/95/20/812799520.db2.gz NLBOLUXYLRBPQE-ISZGNANSSA-N 2 2 286.379 0.731 20 30 CCEDLP C#CC[NH2+]CC1(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001167942510 813033412 /nfs/dbraw/zinc/03/34/12/813033412.db2.gz TZKFYFSSDAWPNL-UHFFFAOYSA-N 2 2 288.395 0.862 20 30 CCEDLP C#CC[NH2+]CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268800212 813091659 /nfs/dbraw/zinc/09/16/59/813091659.db2.gz LMUIWQDLZNZSSX-UHFFFAOYSA-N 2 2 276.384 0.998 20 30 CCEDLP C#CCC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001268887798 813132415 /nfs/dbraw/zinc/13/24/15/813132415.db2.gz IAAXJTGHZGIRHR-LBPRGKRZSA-N 2 2 274.368 0.660 20 30 CCEDLP COCC#CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001269459509 813379440 /nfs/dbraw/zinc/37/94/40/813379440.db2.gz KPYQIAGZXAKOOO-UHFFFAOYSA-N 2 2 290.367 0.161 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167976700 813878745 /nfs/dbraw/zinc/87/87/45/813878745.db2.gz DCWVDFYIJIWQFF-LBPRGKRZSA-N 2 2 262.357 0.708 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167976700 813878751 /nfs/dbraw/zinc/87/87/51/813878751.db2.gz DCWVDFYIJIWQFF-LBPRGKRZSA-N 2 2 262.357 0.708 20 30 CCEDLP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046217786 816443653 /nfs/dbraw/zinc/44/36/53/816443653.db2.gz HVINSESKPDMZNH-DZGCQCFKSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046217786 816443658 /nfs/dbraw/zinc/44/36/58/816443658.db2.gz HVINSESKPDMZNH-DZGCQCFKSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046217786 816443662 /nfs/dbraw/zinc/44/36/62/816443662.db2.gz HVINSESKPDMZNH-DZGCQCFKSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046217786 816443666 /nfs/dbraw/zinc/44/36/66/816443666.db2.gz HVINSESKPDMZNH-DZGCQCFKSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031784290 817364152 /nfs/dbraw/zinc/36/41/52/817364152.db2.gz OQQNPTXHTQKIDY-CYBMUJFWSA-N 2 2 274.368 0.680 20 30 CCEDLP 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CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035368433 819490830 /nfs/dbraw/zinc/49/08/30/819490830.db2.gz QXJVDNNAAOYOFY-LSDHHAIUSA-N 2 2 293.411 0.331 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035368433 819490835 /nfs/dbraw/zinc/49/08/35/819490835.db2.gz QXJVDNNAAOYOFY-LSDHHAIUSA-N 2 2 293.411 0.331 20 30 CCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035368432 819491760 /nfs/dbraw/zinc/49/17/60/819491760.db2.gz QXJVDNNAAOYOFY-HUUCEWRRSA-N 2 2 293.411 0.331 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035368432 819491764 /nfs/dbraw/zinc/49/17/64/819491764.db2.gz QXJVDNNAAOYOFY-HUUCEWRRSA-N 2 2 293.411 0.331 20 30 CCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035806577 819631521 /nfs/dbraw/zinc/63/15/21/819631521.db2.gz HPPJJBXIWUYRLD-UHFFFAOYSA-N 2 2 272.352 0.510 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091580 821198178 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0.439 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085670896 821891916 /nfs/dbraw/zinc/89/19/16/821891916.db2.gz HWCMFPUOLQJHHB-QLFBSQMISA-N 2 2 295.427 0.814 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085670896 821891923 /nfs/dbraw/zinc/89/19/23/821891923.db2.gz HWCMFPUOLQJHHB-QLFBSQMISA-N 2 2 295.427 0.814 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670896 821891933 /nfs/dbraw/zinc/89/19/33/821891933.db2.gz HWCMFPUOLQJHHB-QLFBSQMISA-N 2 2 295.427 0.814 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085670896 821891944 /nfs/dbraw/zinc/89/19/44/821891944.db2.gz HWCMFPUOLQJHHB-QLFBSQMISA-N 2 2 295.427 0.814 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086127129 822121277 /nfs/dbraw/zinc/12/12/77/822121277.db2.gz KWYGQQBWDBNZIB-MELADBBJSA-N 2 2 286.379 0.563 20 30 CCEDLP 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C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090602495 839666756 /nfs/dbraw/zinc/66/67/56/839666756.db2.gz ZHMWQWCTVXPMDD-ZIAGYGMSSA-N 2 2 292.383 0.470 20 30 CCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090602495 839666760 /nfs/dbraw/zinc/66/67/60/839666760.db2.gz ZHMWQWCTVXPMDD-ZIAGYGMSSA-N 2 2 292.383 0.470 20 30 CCEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680549 839732852 /nfs/dbraw/zinc/73/28/52/839732852.db2.gz WKWIZEKMSKBUPJ-OLZOCXBDSA-N 2 2 292.383 0.470 20 30 CCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680549 839732855 /nfs/dbraw/zinc/73/28/55/839732855.db2.gz WKWIZEKMSKBUPJ-OLZOCXBDSA-N 2 2 292.383 0.470 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090764288 839785844 /nfs/dbraw/zinc/78/58/44/839785844.db2.gz QVKMUVFMBBYZSD-OCCSQVGLSA-N 2 2 292.383 0.388 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090764288 839785851 /nfs/dbraw/zinc/78/58/51/839785851.db2.gz QVKMUVFMBBYZSD-OCCSQVGLSA-N 2 2 292.383 0.388 20 30 CCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001091104874 840050092 /nfs/dbraw/zinc/05/00/92/840050092.db2.gz DAMVUABJWVESSD-MOKVOYLWSA-N 2 2 286.379 0.563 20 30 CCEDLP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146773394 840361832 /nfs/dbraw/zinc/36/18/32/840361832.db2.gz YOPGJIUSERCSGM-RYUDHWBXSA-N 2 2 250.346 0.942 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036909970 841687124 /nfs/dbraw/zinc/68/71/24/841687124.db2.gz MNORGWWKPDIKIM-LSDHHAIUSA-N 2 2 286.379 0.829 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036909970 841687127 /nfs/dbraw/zinc/68/71/27/841687127.db2.gz MNORGWWKPDIKIM-LSDHHAIUSA-N 2 2 286.379 0.829 20 30 CCEDLP C=CCOCC[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174690642 842201113 /nfs/dbraw/zinc/20/11/13/842201113.db2.gz FCESIXHFPYXNRR-UHFFFAOYSA-N 2 2 280.372 0.559 20 30 CCEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178418903 842844595 /nfs/dbraw/zinc/84/45/95/842844595.db2.gz XCNPCLVURAXDPG-KKUMJFAQSA-N 2 2 295.427 0.862 20 30 CCEDLP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178418903 842844600 /nfs/dbraw/zinc/84/46/00/842844600.db2.gz XCNPCLVURAXDPG-KKUMJFAQSA-N 2 2 295.427 0.862 20 30 CCEDLP C#CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180469676 843186759 /nfs/dbraw/zinc/18/67/59/843186759.db2.gz CJTASTYVJNFODO-UHFFFAOYSA-N 2 2 262.357 0.783 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580540 845878600 /nfs/dbraw/zinc/87/86/00/845878600.db2.gz IHGSUYQIYYFDDJ-VXGBXAGGSA-N 2 2 278.356 0.080 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580540 845878606 /nfs/dbraw/zinc/87/86/06/845878606.db2.gz IHGSUYQIYYFDDJ-VXGBXAGGSA-N 2 2 278.356 0.080 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203243247 847084470 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C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC(C)(C)[NH3+] ZINC000692028223 849081894 /nfs/dbraw/zinc/08/18/94/849081894.db2.gz DKVRWSXPRSSVJG-CYBMUJFWSA-N 2 2 277.368 0.967 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001038320444 849851381 /nfs/dbraw/zinc/85/13/81/849851381.db2.gz HSYHMEKUBABJHO-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001038320444 849851385 /nfs/dbraw/zinc/85/13/85/849851385.db2.gz HSYHMEKUBABJHO-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001038320444 849851396 /nfs/dbraw/zinc/85/13/96/849851396.db2.gz HSYHMEKUBABJHO-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001038320444 849851405 /nfs/dbraw/zinc/85/14/05/849851405.db2.gz HSYHMEKUBABJHO-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038936415 850094095 /nfs/dbraw/zinc/09/40/95/850094095.db2.gz 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CCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073662755 854627389 /nfs/dbraw/zinc/62/73/89/854627389.db2.gz PPALHKZQMFCDEY-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073662755 854627391 /nfs/dbraw/zinc/62/73/91/854627391.db2.gz PPALHKZQMFCDEY-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098771833 854885338 /nfs/dbraw/zinc/88/53/38/854885338.db2.gz ALGWUTXXSGDAMS-LZWOXQAQSA-N 2 2 293.411 0.474 20 30 CCEDLP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098771833 854885343 /nfs/dbraw/zinc/88/53/43/854885343.db2.gz ALGWUTXXSGDAMS-LZWOXQAQSA-N 2 2 293.411 0.474 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098771833 854885346 /nfs/dbraw/zinc/88/53/46/854885346.db2.gz ALGWUTXXSGDAMS-LZWOXQAQSA-N 2 2 293.411 0.474 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098771833 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ZINC000602860666 362845854 /nfs/dbraw/zinc/84/58/54/362845854.db2.gz DGSUKPNHXJFNOW-UONOGXRCSA-N 2 2 296.415 0.351 20 30 CCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)CC#N)C1 ZINC000602860666 362845860 /nfs/dbraw/zinc/84/58/60/362845860.db2.gz DGSUKPNHXJFNOW-UONOGXRCSA-N 2 2 296.415 0.351 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917685 348218234 /nfs/dbraw/zinc/21/82/34/348218234.db2.gz HQUWADPRGOJWGJ-OLZOCXBDSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917685 348218236 /nfs/dbraw/zinc/21/82/36/348218236.db2.gz HQUWADPRGOJWGJ-OLZOCXBDSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124546244 350101083 /nfs/dbraw/zinc/10/10/83/350101083.db2.gz BIEBAZPFQGSQSZ-STQMWFEESA-N 2 2 251.374 0.999 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124546244 350101089 /nfs/dbraw/zinc/10/10/89/350101089.db2.gz BIEBAZPFQGSQSZ-STQMWFEESA-N 2 2 251.374 0.999 20 30 CCEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000162790262 350753468 /nfs/dbraw/zinc/75/34/68/350753468.db2.gz NPABQARMEMHCFB-ZDUSSCGKSA-N 2 2 264.373 0.529 20 30 CCEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000162790262 350753470 /nfs/dbraw/zinc/75/34/70/350753470.db2.gz NPABQARMEMHCFB-ZDUSSCGKSA-N 2 2 264.373 0.529 20 30 CCEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000225315817 352001358 /nfs/dbraw/zinc/00/13/58/352001358.db2.gz GNWBVFUGZBXJGC-HNNXBMFYSA-N 2 2 258.369 0.894 20 30 CCEDLP N#Cc1cccc(CNC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000603909646 363170689 /nfs/dbraw/zinc/17/06/89/363170689.db2.gz GWQJBIPFHJWNTF-HUUCEWRRSA-N 2 2 284.363 0.326 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CC3CC3)C2)CC1 ZINC000491167492 358292897 /nfs/dbraw/zinc/29/28/97/358292897.db2.gz YFUQWJHJYWPSBN-MRXNPFEDSA-N 2 2 289.423 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CC3CC3)C2)CC1 ZINC000491167492 358292899 /nfs/dbraw/zinc/29/28/99/358292899.db2.gz YFUQWJHJYWPSBN-MRXNPFEDSA-N 2 2 289.423 0.886 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000584789989 359207763 /nfs/dbraw/zinc/20/77/63/359207763.db2.gz GIXOADBJYQAPGS-DCBWTQNWSA-N 2 2 251.374 0.880 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000584789989 359207765 /nfs/dbraw/zinc/20/77/65/359207765.db2.gz GIXOADBJYQAPGS-DCBWTQNWSA-N 2 2 251.374 0.880 20 30 CCEDLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591742694 359651123 /nfs/dbraw/zinc/65/11/23/359651123.db2.gz AEGRBBLDGZLPPJ-HUUCEWRRSA-N 2 2 282.432 0.657 20 30 CCEDLP C[C@H](CC#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000597215479 361033023 /nfs/dbraw/zinc/03/30/23/361033023.db2.gz CREYSFWHOPDPCC-CHWSQXEVSA-N 2 2 278.400 0.821 20 30 CCEDLP C[C@H](CC#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000597215479 361033025 /nfs/dbraw/zinc/03/30/25/361033025.db2.gz CREYSFWHOPDPCC-CHWSQXEVSA-N 2 2 278.400 0.821 20 30 CCEDLP COCC[N@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000614697077 364701004 /nfs/dbraw/zinc/70/10/04/364701004.db2.gz KWXCVRIEPFQZCX-UHFFFAOYSA-N 2 2 282.388 0.013 20 30 CCEDLP COCC[N@@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000614697077 364701010 /nfs/dbraw/zinc/70/10/10/364701010.db2.gz KWXCVRIEPFQZCX-UHFFFAOYSA-N 2 2 282.388 0.013 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000638523762 375116845 /nfs/dbraw/zinc/11/68/45/375116845.db2.gz GTYITRDULHFFMR-CYBMUJFWSA-N 2 2 251.374 0.895 20 30 CCEDLP COCC1(C#N)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000352093396 533111132 /nfs/dbraw/zinc/11/11/32/533111132.db2.gz PNNXCTAGGAWSRA-AWEZNQCLSA-N 2 2 281.400 0.694 20 30 CCEDLP COCC1(C#N)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000352093396 533111133 /nfs/dbraw/zinc/11/11/33/533111133.db2.gz PNNXCTAGGAWSRA-AWEZNQCLSA-N 2 2 281.400 0.694 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1C[C@@H]1C ZINC000262787365 389294776 /nfs/dbraw/zinc/29/47/76/389294776.db2.gz NBKPLSSXQZXETM-ONGXEEELSA-N 2 2 264.377 0.560 20 30 CCEDLP CCNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264087933 389305656 /nfs/dbraw/zinc/30/56/56/389305656.db2.gz JZHUHWRFLFITFA-UHFFFAOYSA-N 2 2 276.384 0.943 20 30 CCEDLP C[NH+]=C(NCC[N@@H+](C)CCOC)NCc1ccco1 ZINC000264096059 389306528 /nfs/dbraw/zinc/30/65/28/389306528.db2.gz XPCMGLVYOYJPFC-UHFFFAOYSA-N 2 2 268.361 0.523 20 30 CCEDLP C[NH+]=C(NCC[N@H+](C)CCOC)NCc1ccco1 ZINC000264096059 389306530 /nfs/dbraw/zinc/30/65/30/389306530.db2.gz XPCMGLVYOYJPFC-UHFFFAOYSA-N 2 2 268.361 0.523 20 30 CCEDLP COCCNC(=[NH2+])NCCc1cn2ccccc2[nH+]1 ZINC000264128642 389308156 /nfs/dbraw/zinc/30/81/56/389308156.db2.gz SWMXJRXJZJOMBG-UHFFFAOYSA-N 2 2 261.329 0.428 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])C1=O ZINC000420265759 389975338 /nfs/dbraw/zinc/97/53/38/389975338.db2.gz BWLWNUUVAJNOCO-AGIUHOORSA-N 2 2 251.374 0.975 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])C1=O ZINC000420265759 389975340 /nfs/dbraw/zinc/97/53/40/389975340.db2.gz BWLWNUUVAJNOCO-AGIUHOORSA-N 2 2 251.374 0.975 20 30 CCEDLP C=CCC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567876656 390711567 /nfs/dbraw/zinc/71/15/67/390711567.db2.gz WFOPMMLVMGTDPD-BARDWOONSA-N 2 2 286.416 0.373 20 30 CCEDLP C=CCC[C@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567876656 390711569 /nfs/dbraw/zinc/71/15/69/390711569.db2.gz WFOPMMLVMGTDPD-BARDWOONSA-N 2 2 286.416 0.373 20 30 CCEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@@H+]1C ZINC000347065631 533590770 /nfs/dbraw/zinc/59/07/70/533590770.db2.gz YKEAKMDGLQRMFY-OLZOCXBDSA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@H+]1C ZINC000347065631 533590780 /nfs/dbraw/zinc/59/07/80/533590780.db2.gz YKEAKMDGLQRMFY-OLZOCXBDSA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1C ZINC000347065631 533590784 /nfs/dbraw/zinc/59/07/84/533590784.db2.gz YKEAKMDGLQRMFY-OLZOCXBDSA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1C ZINC000347065631 533590791 /nfs/dbraw/zinc/59/07/91/533590791.db2.gz YKEAKMDGLQRMFY-OLZOCXBDSA-N 2 2 278.400 0.963 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662659057 414738114 /nfs/dbraw/zinc/73/81/14/414738114.db2.gz NFFGVINLELJFIR-AWEZNQCLSA-N 2 2 267.373 0.133 20 30 CCEDLP C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1[NH+](C)C ZINC000330254261 228081408 /nfs/dbraw/zinc/08/14/08/228081408.db2.gz AUBPTXQELABOLP-UPJWGTAASA-N 2 2 291.399 0.994 20 30 CCEDLP C#CC[N@@H+](CC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000490761997 261203833 /nfs/dbraw/zinc/20/38/33/261203833.db2.gz ZBXQAPVLZPIVLU-HNNXBMFYSA-N 2 2 295.427 0.415 20 30 CCEDLP C#CC[N@H+](CC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000490761997 261203835 /nfs/dbraw/zinc/20/38/35/261203835.db2.gz ZBXQAPVLZPIVLU-HNNXBMFYSA-N 2 2 295.427 0.415 20 30 CCEDLP C#CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000490761997 261203837 /nfs/dbraw/zinc/20/38/37/261203837.db2.gz ZBXQAPVLZPIVLU-HNNXBMFYSA-N 2 2 295.427 0.415 20 30 CCEDLP C#CC[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000490761997 261203839 /nfs/dbraw/zinc/20/38/39/261203839.db2.gz ZBXQAPVLZPIVLU-HNNXBMFYSA-N 2 2 295.427 0.415 20 30 CCEDLP Cn1ncc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)n1 ZINC000289396482 263109984 /nfs/dbraw/zinc/10/99/84/263109984.db2.gz NGSJAFNHARIEHQ-UHFFFAOYSA-N 2 2 288.355 0.714 20 30 CCEDLP C[N@H+](CCC#N)C[C@@H](O)CN[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000518964069 265251230 /nfs/dbraw/zinc/25/12/30/265251230.db2.gz YHAHEYVJOSTVCX-ZBFHGGJFSA-N 2 2 294.443 0.799 20 30 CCEDLP C[N@@H+](CCC#N)C[C@@H](O)CN[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000518964069 265251232 /nfs/dbraw/zinc/25/12/32/265251232.db2.gz YHAHEYVJOSTVCX-ZBFHGGJFSA-N 2 2 294.443 0.799 20 30 CCEDLP C[NH+](CCC#N)C[C@@H](O)CN[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518964069 265251233 /nfs/dbraw/zinc/25/12/33/265251233.db2.gz YHAHEYVJOSTVCX-ZBFHGGJFSA-N 2 2 294.443 0.799 20 30 CCEDLP C[NH+](CCC#N)C[C@@H](O)CN[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000518964069 265251236 /nfs/dbraw/zinc/25/12/36/265251236.db2.gz YHAHEYVJOSTVCX-ZBFHGGJFSA-N 2 2 294.443 0.799 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(C#N)CC2)CC1 ZINC000555710038 327249506 /nfs/dbraw/zinc/24/95/06/327249506.db2.gz RILCOOBISUZMGV-UHFFFAOYSA-N 2 2 293.415 0.615 20 30 CCEDLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424132942 330265213 /nfs/dbraw/zinc/26/52/13/330265213.db2.gz LINBZFYWTKFLAP-LBPRGKRZSA-N 2 2 275.356 0.785 20 30 CCEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000424134929 330268037 /nfs/dbraw/zinc/26/80/37/330268037.db2.gz OMEOGDTULOIUOL-KBPBESRZSA-N 2 2 294.399 0.331 20 30 CCEDLP N#CCCC[C@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000424135320 330269425 /nfs/dbraw/zinc/26/94/25/330269425.db2.gz LYMFGOGGCPSVHV-LBPRGKRZSA-N 2 2 271.324 0.972 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)CC(C)C)CC1 ZINC000490778747 332114729 /nfs/dbraw/zinc/11/47/29/332114729.db2.gz KLCPXMJGFVUSAE-UHFFFAOYSA-N 2 2 295.427 0.368 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)CC(C)C)CC1 ZINC000490778747 332114730 /nfs/dbraw/zinc/11/47/30/332114730.db2.gz KLCPXMJGFVUSAE-UHFFFAOYSA-N 2 2 295.427 0.368 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000490891780 332125333 /nfs/dbraw/zinc/12/53/33/332125333.db2.gz HFQVMJROLBHHDG-VXGBXAGGSA-N 2 2 260.341 0.347 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000490891780 332125334 /nfs/dbraw/zinc/12/53/34/332125334.db2.gz HFQVMJROLBHHDG-VXGBXAGGSA-N 2 2 260.341 0.347 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C(C)C)[C@@H]2CCOC2)CC1 ZINC000491615983 332243238 /nfs/dbraw/zinc/24/32/38/332243238.db2.gz HOUJAVHDMPKTSM-OAHLLOKOSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C(C)C)[C@@H]2CCOC2)CC1 ZINC000491615983 332243239 /nfs/dbraw/zinc/24/32/39/332243239.db2.gz HOUJAVHDMPKTSM-OAHLLOKOSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000491639454 332259501 /nfs/dbraw/zinc/25/95/01/332259501.db2.gz WPHOXCKKJNOTOX-CQSZACIVSA-N 2 2 265.401 0.836 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000491651643 332264870 /nfs/dbraw/zinc/26/48/70/332264870.db2.gz HYQUJKICIRKVOS-ZDUSSCGKSA-N 2 2 274.368 0.517 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000491651643 332264871 /nfs/dbraw/zinc/26/48/71/332264871.db2.gz HYQUJKICIRKVOS-ZDUSSCGKSA-N 2 2 274.368 0.517 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)C[C@H]2C)CC1 ZINC000491776475 332341937 /nfs/dbraw/zinc/34/19/37/332341937.db2.gz WBVDUEGPDGAGAG-CQSZACIVSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491782526 332346240 /nfs/dbraw/zinc/34/62/40/332346240.db2.gz OIJLMJJLOLGZIP-ZDUSSCGKSA-N 2 2 262.357 0.906 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000491782526 332346242 /nfs/dbraw/zinc/34/62/42/332346242.db2.gz OIJLMJJLOLGZIP-ZDUSSCGKSA-N 2 2 262.357 0.906 20 30 CCEDLP C#C[C@H](CO)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491783291 332346660 /nfs/dbraw/zinc/34/66/60/332346660.db2.gz NNRAOFVEHYZERT-ZIAGYGMSSA-N 2 2 287.363 0.598 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)[C@@H](C)CCC)CC1 ZINC000491792101 332352840 /nfs/dbraw/zinc/35/28/40/332352840.db2.gz DEUMSSHKTWWWNS-GJZGRUSLSA-N 2 2 295.427 0.151 20 30 CCEDLP C=CCSCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577504235 335360876 /nfs/dbraw/zinc/36/08/76/335360876.db2.gz XTURKEJINUQKTA-MJBXVCDLSA-N 2 2 288.457 0.965 20 30 CCEDLP C=CCSCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000577504235 335360877 /nfs/dbraw/zinc/36/08/77/335360877.db2.gz XTURKEJINUQKTA-MJBXVCDLSA-N 2 2 288.457 0.965 20 30 CCEDLP C=CC[NH+]1CCC([NH2+]C2CCN(C=O)CC2)CC1 ZINC000788429472 581110686 /nfs/dbraw/zinc/11/06/86/581110686.db2.gz KFDVSTDKMZZIKN-UHFFFAOYSA-N 2 2 251.374 0.847 20 30 CCEDLP C#C[C@@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000753150203 581529189 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CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000744423334 581842114 /nfs/dbraw/zinc/84/21/14/581842114.db2.gz FCJLICHRSSMTKQ-GFCCVEGCSA-N 2 2 252.362 0.290 20 30 CCEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000744423334 581842116 /nfs/dbraw/zinc/84/21/16/581842116.db2.gz FCJLICHRSSMTKQ-GFCCVEGCSA-N 2 2 252.362 0.290 20 30 CCEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000744423334 581842118 /nfs/dbraw/zinc/84/21/18/581842118.db2.gz FCJLICHRSSMTKQ-GFCCVEGCSA-N 2 2 252.362 0.290 20 30 CCEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000744423334 581842120 /nfs/dbraw/zinc/84/21/20/581842120.db2.gz FCJLICHRSSMTKQ-GFCCVEGCSA-N 2 2 252.362 0.290 20 30 CCEDLP N#CCCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749516154 582011262 /nfs/dbraw/zinc/01/12/62/582011262.db2.gz STFWHSKNRQYLBA-ZFWWWQNUSA-N 2 2 290.411 0.965 20 30 CCEDLP N#CCCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749516154 582011265 /nfs/dbraw/zinc/01/12/65/582011265.db2.gz 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Cc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(N(C)C)[nH+]1 ZINC000841155210 642805572 /nfs/dbraw/zinc/80/55/72/642805572.db2.gz TZRNPTJAJOLUPH-ZYHUDNBSSA-N 2 2 288.355 0.689 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001018268880 650851164 /nfs/dbraw/zinc/85/11/64/650851164.db2.gz GJBWTHMOCKKTNL-GASCZTMLSA-N 2 2 286.379 0.890 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001018268880 650851166 /nfs/dbraw/zinc/85/11/66/650851166.db2.gz GJBWTHMOCKKTNL-GASCZTMLSA-N 2 2 286.379 0.890 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001018271052 650851430 /nfs/dbraw/zinc/85/14/30/650851430.db2.gz QVBJONKKXLTHGD-MCIONIFRSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001018271052 650851431 /nfs/dbraw/zinc/85/14/31/650851431.db2.gz QVBJONKKXLTHGD-MCIONIFRSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001018271052 650851433 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ZINC001104468161 793255073 /nfs/dbraw/zinc/25/50/73/793255073.db2.gz NALGAIVUMQNVPA-HUUCEWRRSA-N 2 2 288.395 0.981 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234640792 806290678 /nfs/dbraw/zinc/29/06/78/806290678.db2.gz BJUGGONFYJJDBK-ZIAGYGMSSA-N 2 2 283.391 0.832 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234640792 806290683 /nfs/dbraw/zinc/29/06/83/806290683.db2.gz BJUGGONFYJJDBK-ZIAGYGMSSA-N 2 2 283.391 0.832 20 30 CCEDLP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235452133 806424196 /nfs/dbraw/zinc/42/41/96/806424196.db2.gz CELABKKQJHEBCH-ZBFHGGJFSA-N 2 2 294.443 0.517 20 30 CCEDLP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235452133 806424201 /nfs/dbraw/zinc/42/42/01/806424201.db2.gz CELABKKQJHEBCH-ZBFHGGJFSA-N 2 2 294.443 0.517 20 30 CCEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccnc(C#N)c1 ZINC001237462255 806671488 /nfs/dbraw/zinc/67/14/88/806671488.db2.gz GACPUYGZPPXXHZ-UHFFFAOYSA-N 2 2 273.384 0.632 20 30 CCEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccnc(C#N)c1 ZINC001237462255 806671491 /nfs/dbraw/zinc/67/14/91/806671491.db2.gz GACPUYGZPPXXHZ-UHFFFAOYSA-N 2 2 273.384 0.632 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC001121909314 799089921 /nfs/dbraw/zinc/08/99/21/799089921.db2.gz NTQBKAPGFDNIOE-UHFFFAOYSA-N 2 2 291.420 0.658 20 30 CCEDLP CC#CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001122290774 799188672 /nfs/dbraw/zinc/18/86/72/799188672.db2.gz QWLAZWMVTNGGMO-UHFFFAOYSA-N 2 2 286.379 0.923 20 30 CCEDLP CC#CC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203058211 799930951 /nfs/dbraw/zinc/93/09/51/799930951.db2.gz FKQUOAWNTJWFOM-UHFFFAOYSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150372195 800333020 /nfs/dbraw/zinc/33/30/20/800333020.db2.gz PEJAJPRGOBBCAE-CQSZACIVSA-N 2 2 290.367 0.183 20 30 CCEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150372195 800333025 /nfs/dbraw/zinc/33/30/25/800333025.db2.gz PEJAJPRGOBBCAE-CQSZACIVSA-N 2 2 290.367 0.183 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150597919 800351320 /nfs/dbraw/zinc/35/13/20/800351320.db2.gz XHSSQJPEPKPDMU-AWEZNQCLSA-N 2 2 292.383 0.356 20 30 CCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150597919 800351328 /nfs/dbraw/zinc/35/13/28/800351328.db2.gz XHSSQJPEPKPDMU-AWEZNQCLSA-N 2 2 292.383 0.356 20 30 CCEDLP N#Cc1cc(F)cnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155373084 800960776 /nfs/dbraw/zinc/96/07/76/800960776.db2.gz MYQPUZOQWWNQQF-CQSZACIVSA-N 2 2 289.358 0.952 20 30 CCEDLP COc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C#N ZINC001158204243 801592650 /nfs/dbraw/zinc/59/26/50/801592650.db2.gz OUEAPCSUNTUCCK-SECBINFHSA-N 2 2 273.296 0.010 20 30 CCEDLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1C#N ZINC001158206745 801593725 /nfs/dbraw/zinc/59/37/25/801593725.db2.gz ZJQXEWMDFZFQER-LLVKDONJSA-N 2 2 257.297 0.310 20 30 CCEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955616 801727707 /nfs/dbraw/zinc/72/77/07/801727707.db2.gz OEJPXVVDUKDGME-CQSZACIVSA-N 2 2 274.368 0.829 20 30 CCEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955616 801727712 /nfs/dbraw/zinc/72/77/12/801727712.db2.gz OEJPXVVDUKDGME-CQSZACIVSA-N 2 2 274.368 0.829 20 30 CCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N(CC#N)Cc1ccccc1 ZINC001160667024 801993810 /nfs/dbraw/zinc/99/38/10/801993810.db2.gz CWCSDPIUZJIHPS-HNNXBMFYSA-N 2 2 297.362 0.842 20 30 CCEDLP N#CCN(Cc1ccccc1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160667932 801994166 /nfs/dbraw/zinc/99/41/66/801994166.db2.gz OFOLEVPETLNSDI-ZBFHGGJFSA-N 2 2 284.363 0.490 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164496118 802749401 /nfs/dbraw/zinc/74/94/01/802749401.db2.gz JTNOFVGYNTZSQF-OAHLLOKOSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164496118 802749406 /nfs/dbraw/zinc/74/94/06/802749406.db2.gz JTNOFVGYNTZSQF-OAHLLOKOSA-N 2 2 295.427 0.912 20 30 CCEDLP CC#CC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203494541 803030410 /nfs/dbraw/zinc/03/04/10/803030410.db2.gz RPWOEHJLCBDDKJ-UHFFFAOYSA-N 2 2 274.368 0.865 20 30 CCEDLP C#CC[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205113557 803118528 /nfs/dbraw/zinc/11/85/28/803118528.db2.gz LAIAGIZTGLXMLA-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(CCC#N)CC2)C1 ZINC001208609648 803529133 /nfs/dbraw/zinc/52/91/33/803529133.db2.gz VGRVRXAIUHJLER-AWEZNQCLSA-N 2 2 250.390 0.859 20 30 CCEDLP C[N@H+]1CCC[C@H](C[NH+]2CCN(CCC#N)CC2)C1 ZINC001208609648 803529138 /nfs/dbraw/zinc/52/91/38/803529138.db2.gz VGRVRXAIUHJLER-AWEZNQCLSA-N 2 2 250.390 0.859 20 30 CCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217006056 803863277 /nfs/dbraw/zinc/86/32/77/803863277.db2.gz RUUJDYNOTHKKJQ-CHWSQXEVSA-N 2 2 260.341 0.343 20 30 CCEDLP C#Cc1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)ccn1 ZINC001218524805 803986282 /nfs/dbraw/zinc/98/62/82/803986282.db2.gz OIIZKBXCXHPHNL-HNNXBMFYSA-N 2 2 280.331 0.696 20 30 CCEDLP CC(C)(C#N)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cn1 ZINC001218582686 804020808 /nfs/dbraw/zinc/02/08/08/804020808.db2.gz YWIKOVFDWZVFMA-QWRGUYRKSA-N 2 2 273.340 0.368 20 30 CCEDLP N#Cc1c(F)ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1F ZINC001218912777 804154681 /nfs/dbraw/zinc/15/46/81/804154681.db2.gz DNVMYFAUWDVWBY-LDWIPMOCSA-N 2 2 266.251 0.464 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CCC)[C@H]2C1 ZINC001219003041 804180295 /nfs/dbraw/zinc/18/02/95/804180295.db2.gz QJUPTLZLJFTNKF-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CCC)[C@H]2C1 ZINC001219003041 804180296 /nfs/dbraw/zinc/18/02/96/804180296.db2.gz QJUPTLZLJFTNKF-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219003041 804180299 /nfs/dbraw/zinc/18/02/99/804180299.db2.gz QJUPTLZLJFTNKF-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219003041 804180300 /nfs/dbraw/zinc/18/03/00/804180300.db2.gz QJUPTLZLJFTNKF-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP C#Cc1ccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001220381976 804589113 /nfs/dbraw/zinc/58/91/13/804589113.db2.gz ONJRKULOCIVELS-FMKPAKJESA-N 2 2 269.348 0.506 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441725 804605985 /nfs/dbraw/zinc/60/59/85/804605985.db2.gz LXUSGICUHDJHQK-XQQFMLRXSA-N 2 2 278.356 0.182 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441725 804605988 /nfs/dbraw/zinc/60/59/88/804605988.db2.gz LXUSGICUHDJHQK-XQQFMLRXSA-N 2 2 278.356 0.182 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001278403304 807075151 /nfs/dbraw/zinc/07/51/51/807075151.db2.gz HUFQVWWVKYPOHH-YPMHNXCESA-N 2 2 260.341 0.555 20 30 CCEDLP C#CCOC[C@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246037893 807130590 /nfs/dbraw/zinc/13/05/90/807130590.db2.gz XWQCBFJQJYWYKG-KGLIPLIRSA-N 2 2 252.358 0.215 20 30 CCEDLP C#CCOC[C@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246037893 807130594 /nfs/dbraw/zinc/13/05/94/807130594.db2.gz XWQCBFJQJYWYKG-KGLIPLIRSA-N 2 2 252.358 0.215 20 30 CCEDLP C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCC ZINC001246300795 807214652 /nfs/dbraw/zinc/21/46/52/807214652.db2.gz OZSLZVJUYFPOMM-JMSVASOKSA-N 2 2 279.384 0.178 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246309109 807217006 /nfs/dbraw/zinc/21/70/06/807217006.db2.gz UITTXLNOFRGXJQ-MCIONIFRSA-N 3 2 283.416 0.943 20 30 CCEDLP Cc1ccc(C(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC001251045462 807654531 /nfs/dbraw/zinc/65/45/31/807654531.db2.gz GSTIMTUHVXBZIX-OAHLLOKOSA-N 2 2 291.395 0.702 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001251857724 807724644 /nfs/dbraw/zinc/72/46/44/807724644.db2.gz JCJVPPPOVYRZOU-CQSZACIVSA-N 2 2 254.374 0.413 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001251857724 807724648 /nfs/dbraw/zinc/72/46/48/807724648.db2.gz JCJVPPPOVYRZOU-CQSZACIVSA-N 2 2 254.374 0.413 20 30 CCEDLP C=CCN1CCC[C@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)C1=O ZINC001253214672 808035996 /nfs/dbraw/zinc/03/59/96/808035996.db2.gz RRYGANNJJSZFJO-KGLIPLIRSA-N 2 2 283.416 0.456 20 30 CCEDLP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(=O)NO ZINC001253413111 808065067 /nfs/dbraw/zinc/06/50/67/808065067.db2.gz YGPOPVMVKPSRQH-QWRGUYRKSA-N 2 2 275.393 0.245 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001264427858 809656580 /nfs/dbraw/zinc/65/65/80/809656580.db2.gz FPFQRWMXWPVEQH-HDJSIYSDSA-N 2 2 288.395 0.860 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001265489354 809790723 /nfs/dbraw/zinc/79/07/23/809790723.db2.gz BZVYIQQYIHSNAF-JOCQHMNTSA-N 2 2 260.341 0.533 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001280415850 810017683 /nfs/dbraw/zinc/01/76/83/810017683.db2.gz PCYNUSNEYAKVEQ-LSDHHAIUSA-N 2 2 297.443 0.966 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001280415850 810017687 /nfs/dbraw/zinc/01/76/87/810017687.db2.gz PCYNUSNEYAKVEQ-LSDHHAIUSA-N 2 2 297.443 0.966 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267294336 811110572 /nfs/dbraw/zinc/11/05/72/811110572.db2.gz GOSPWMYUUNWEGR-ZDUSSCGKSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267294336 811110580 /nfs/dbraw/zinc/11/05/80/811110580.db2.gz GOSPWMYUUNWEGR-ZDUSSCGKSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267294336 811110584 /nfs/dbraw/zinc/11/05/84/811110584.db2.gz GOSPWMYUUNWEGR-ZDUSSCGKSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267294336 811110590 /nfs/dbraw/zinc/11/05/90/811110590.db2.gz GOSPWMYUUNWEGR-ZDUSSCGKSA-N 2 2 274.368 0.804 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083274850 811431526 /nfs/dbraw/zinc/43/15/26/811431526.db2.gz CIARAMOLDPYWJB-UONOGXRCSA-N 2 2 279.384 0.180 20 30 CCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001083274850 811431530 /nfs/dbraw/zinc/43/15/30/811431530.db2.gz CIARAMOLDPYWJB-UONOGXRCSA-N 2 2 279.384 0.180 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC)C[C@H]1O ZINC001077158875 815453042 /nfs/dbraw/zinc/45/30/42/815453042.db2.gz CPYFCGCQVMEIAZ-QLFBSQMISA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC)C[C@H]1O ZINC001077158875 815453049 /nfs/dbraw/zinc/45/30/49/815453049.db2.gz CPYFCGCQVMEIAZ-QLFBSQMISA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)C[C@H]1O ZINC001077158875 815453054 /nfs/dbraw/zinc/45/30/54/815453054.db2.gz CPYFCGCQVMEIAZ-QLFBSQMISA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)C[C@H]1O ZINC001077158875 815453059 /nfs/dbraw/zinc/45/30/59/815453059.db2.gz 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C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077776490 897483347 /nfs/dbraw/zinc/48/33/47/897483347.db2.gz SKOVSMZFLGALKY-QLFBSQMISA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077776490 897483354 /nfs/dbraw/zinc/48/33/54/897483354.db2.gz SKOVSMZFLGALKY-QLFBSQMISA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776490 897483363 /nfs/dbraw/zinc/48/33/63/897483363.db2.gz SKOVSMZFLGALKY-QLFBSQMISA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776490 897483370 /nfs/dbraw/zinc/48/33/70/897483370.db2.gz SKOVSMZFLGALKY-QLFBSQMISA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992818 898005301 /nfs/dbraw/zinc/00/53/01/898005301.db2.gz DUNXAKRRFRPIPI-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992818 898005311 /nfs/dbraw/zinc/00/53/11/898005311.db2.gz DUNXAKRRFRPIPI-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001486310955 898784120 /nfs/dbraw/zinc/78/41/20/898784120.db2.gz AKAVQSIXDMEWAV-LBPRGKRZSA-N 2 2 292.383 0.120 20 30 CCEDLP C#CC[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001486378776 898842114 /nfs/dbraw/zinc/84/21/14/898842114.db2.gz AJYWWEJTJXNHNQ-UHFFFAOYSA-N 2 2 276.384 0.994 20 30 CCEDLP C#CC[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001486378776 898842126 /nfs/dbraw/zinc/84/21/26/898842126.db2.gz AJYWWEJTJXNHNQ-UHFFFAOYSA-N 2 2 276.384 0.994 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001276726953 903851322 /nfs/dbraw/zinc/85/13/22/903851322.db2.gz NDRNJTAYXAEHDK-QKDCVEJESA-N 2 2 286.379 0.280 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001276726953 903851325 /nfs/dbraw/zinc/85/13/25/903851325.db2.gz NDRNJTAYXAEHDK-QKDCVEJESA-N 2 2 286.379 0.280 20 30 CCEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001283103800 904693568 /nfs/dbraw/zinc/69/35/68/904693568.db2.gz XCRXACPIXAVCIS-JOCQHMNTSA-N 2 2 274.368 0.470 20 30 CCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001284520022 905357661 /nfs/dbraw/zinc/35/76/61/905357661.db2.gz MHMYTGUGDATEKZ-CYBMUJFWSA-N 2 2 280.372 0.210 20 30 CCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001284520022 905357678 /nfs/dbraw/zinc/35/76/78/905357678.db2.gz MHMYTGUGDATEKZ-CYBMUJFWSA-N 2 2 280.372 0.210 20 30 CCEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001492214809 907766186 /nfs/dbraw/zinc/76/61/86/907766186.db2.gz DIGURGRPQRFLJH-LLVKDONJSA-N 2 2 259.781 0.881 20 30 CCEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001492214809 907766195 /nfs/dbraw/zinc/76/61/95/907766195.db2.gz DIGURGRPQRFLJH-LLVKDONJSA-N 2 2 259.781 0.881 20 30 CCEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001492214809 907766205 /nfs/dbraw/zinc/76/62/05/907766205.db2.gz DIGURGRPQRFLJH-LLVKDONJSA-N 2 2 259.781 0.881 20 30 CCEDLP C=C(Cl)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001492214809 907766211 /nfs/dbraw/zinc/76/62/11/907766211.db2.gz DIGURGRPQRFLJH-LLVKDONJSA-N 2 2 259.781 0.881 20 30 CCEDLP CCNc1cc(CNC(=O)NCC#CC[NH+](C)C)cc[nH+]1 ZINC001313320827 908662178 /nfs/dbraw/zinc/66/21/78/908662178.db2.gz RJQYAKOENDQYNS-UHFFFAOYSA-N 2 2 289.383 0.878 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC001338450311 921470863 /nfs/dbraw/zinc/47/08/63/921470863.db2.gz UZFKUKZFINZELF-ZDUSSCGKSA-N 2 2 253.390 0.692 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001322352681 911771785 /nfs/dbraw/zinc/77/17/85/911771785.db2.gz BQFQVXUDYMLNBW-OCCSQVGLSA-N 2 2 274.368 0.850 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCF ZINC001328732361 915394823 /nfs/dbraw/zinc/39/48/23/915394823.db2.gz DMPNUJDCDBZJQW-CABCVRRESA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCF ZINC001328732361 915394839 /nfs/dbraw/zinc/39/48/39/915394839.db2.gz DMPNUJDCDBZJQW-CABCVRRESA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001329070710 915641686 /nfs/dbraw/zinc/64/16/86/915641686.db2.gz RLRWZKIVIXRTHX-NWDGAFQWSA-N 2 2 275.352 0.749 20 30 CCEDLP C#CCC[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001330925575 916970905 /nfs/dbraw/zinc/97/09/05/916970905.db2.gz BWRQMOXCYVLPOO-LBPRGKRZSA-N 2 2 262.357 0.850 20 30 CCEDLP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001331473583 917358988 /nfs/dbraw/zinc/35/89/88/917358988.db2.gz GWAUPANGMMSXBN-IJLUTSLNSA-N 2 2 260.341 0.583 20 30 CCEDLP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001331473583 917359004 /nfs/dbraw/zinc/35/90/04/917359004.db2.gz GWAUPANGMMSXBN-IJLUTSLNSA-N 2 2 260.341 0.583 20 30 CCEDLP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001331490967 917371239 /nfs/dbraw/zinc/37/12/39/917371239.db2.gz HVFMTHWGFDTJSX-KGLIPLIRSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCOCC[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC001341258981 922400456 /nfs/dbraw/zinc/40/04/56/922400456.db2.gz XPGLNYBEFHDMMH-CQSZACIVSA-N 2 2 281.400 0.121 20 30 CCEDLP C#CCOCC[N@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC001341258981 922400472 /nfs/dbraw/zinc/40/04/72/922400472.db2.gz XPGLNYBEFHDMMH-CQSZACIVSA-N 2 2 281.400 0.121 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](CC)CSC)CC1 ZINC000091097526 349449834 /nfs/dbraw/zinc/44/98/34/349449834.db2.gz OUCVFCZRZRWPSL-AWEZNQCLSA-N 2 2 297.468 0.837 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](CC)CSC)CC1 ZINC000091097526 349449837 /nfs/dbraw/zinc/44/98/37/349449837.db2.gz OUCVFCZRZRWPSL-AWEZNQCLSA-N 2 2 297.468 0.837 20 30 CCEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600724270 362045902 /nfs/dbraw/zinc/04/59/02/362045902.db2.gz YOAKUEBYNVMFDR-KGLIPLIRSA-N 2 2 281.400 0.742 20 30 CCEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600724270 362045907 /nfs/dbraw/zinc/04/59/07/362045907.db2.gz YOAKUEBYNVMFDR-KGLIPLIRSA-N 2 2 281.400 0.742 20 30 CCEDLP C[NH+]1CCC([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330196705 530047502 /nfs/dbraw/zinc/04/75/02/530047502.db2.gz QSYGTJXCNAOFNM-LBPRGKRZSA-N 2 2 277.372 0.796 20 30 CCEDLP C[NH+]1CCC(NC([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330196705 530047503 /nfs/dbraw/zinc/04/75/03/530047503.db2.gz QSYGTJXCNAOFNM-LBPRGKRZSA-N 2 2 277.372 0.796 20 30 CCEDLP CC[N@H+](CCO)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602619780 362717072 /nfs/dbraw/zinc/71/70/72/362717072.db2.gz RLJGFNZCXUEAKI-CQSZACIVSA-N 2 2 283.416 0.989 20 30 CCEDLP CC[N@@H+](CCO)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602619780 362717073 /nfs/dbraw/zinc/71/70/73/362717073.db2.gz RLJGFNZCXUEAKI-CQSZACIVSA-N 2 2 283.416 0.989 20 30 CCEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833310 363161873 /nfs/dbraw/zinc/16/18/73/363161873.db2.gz FYFBHURUPVKKTG-CXTNEJHOSA-N 2 2 278.400 0.581 20 30 CCEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000603833310 363161879 /nfs/dbraw/zinc/16/18/79/363161879.db2.gz FYFBHURUPVKKTG-CXTNEJHOSA-N 2 2 278.400 0.581 20 30 CCEDLP C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000610427502 363557049 /nfs/dbraw/zinc/55/70/49/363557049.db2.gz FSQHKKWNKZXSIH-GXTWGEPZSA-N 2 2 278.400 0.773 20 30 CCEDLP C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000610427502 363557051 /nfs/dbraw/zinc/55/70/51/363557051.db2.gz FSQHKKWNKZXSIH-GXTWGEPZSA-N 2 2 278.400 0.773 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2(C#N)CC2)CC1 ZINC000590292074 359435708 /nfs/dbraw/zinc/43/57/08/359435708.db2.gz CKEGENHWHJBIBL-UHFFFAOYSA-N 2 2 278.400 0.822 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592489533 359856137 /nfs/dbraw/zinc/85/61/37/359856137.db2.gz YGYVBNADUCAYJP-TUAOUCFPSA-N 2 2 282.388 0.446 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592489533 359856145 /nfs/dbraw/zinc/85/61/45/359856145.db2.gz YGYVBNADUCAYJP-TUAOUCFPSA-N 2 2 282.388 0.446 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506488 360553411 /nfs/dbraw/zinc/55/34/11/360553411.db2.gz DLXQDVHNCCGJQK-HNNXBMFYSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506488 360553416 /nfs/dbraw/zinc/55/34/16/360553416.db2.gz DLXQDVHNCCGJQK-HNNXBMFYSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506488 360553420 /nfs/dbraw/zinc/55/34/20/360553420.db2.gz DLXQDVHNCCGJQK-HNNXBMFYSA-N 2 2 294.399 0.416 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506488 360553425 /nfs/dbraw/zinc/55/34/25/360553425.db2.gz DLXQDVHNCCGJQK-HNNXBMFYSA-N 2 2 294.399 0.416 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595834665 360673577 /nfs/dbraw/zinc/67/35/77/360673577.db2.gz NGQZDGXLPPOTJG-UKRRQHHQSA-N 2 2 278.400 0.775 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595834665 360673580 /nfs/dbraw/zinc/67/35/80/360673580.db2.gz NGQZDGXLPPOTJG-UKRRQHHQSA-N 2 2 278.400 0.775 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CC)C2)CC1 ZINC000490739744 261197100 /nfs/dbraw/zinc/19/71/00/261197100.db2.gz GOCDBBMGCQPWRM-OAHLLOKOSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CC)C2)CC1 ZINC000490739744 261197102 /nfs/dbraw/zinc/19/71/02/261197102.db2.gz GOCDBBMGCQPWRM-OAHLLOKOSA-N 2 2 277.412 0.886 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629569312 369714470 /nfs/dbraw/zinc/71/44/70/369714470.db2.gz WTGXJPDMLOFOAH-ZJUUUORDSA-N 2 2 279.306 0.748 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629569312 369714476 /nfs/dbraw/zinc/71/44/76/369714476.db2.gz WTGXJPDMLOFOAH-ZJUUUORDSA-N 2 2 279.306 0.748 20 30 CCEDLP C=CCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574666726 335038345 /nfs/dbraw/zinc/03/83/45/335038345.db2.gz VSBNFKQUNBPICT-LBPRGKRZSA-N 2 2 254.378 0.627 20 30 CCEDLP C#CC[N@H+](C)CCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000292702340 388954613 /nfs/dbraw/zinc/95/46/13/388954613.db2.gz GEAOSKMTWVTADT-UHFFFAOYSA-N 2 2 289.383 0.680 20 30 CCEDLP C#CC[N@@H+](C)CCCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000292702340 388954618 /nfs/dbraw/zinc/95/46/18/388954618.db2.gz GEAOSKMTWVTADT-UHFFFAOYSA-N 2 2 289.383 0.680 20 30 CCEDLP C#CC[N@H+](C)CCCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000292702340 388954622 /nfs/dbraw/zinc/95/46/22/388954622.db2.gz GEAOSKMTWVTADT-UHFFFAOYSA-N 2 2 289.383 0.680 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000337131492 389046707 /nfs/dbraw/zinc/04/67/07/389046707.db2.gz ACEYLHNZAZZJOI-CHWSQXEVSA-N 2 2 251.374 0.657 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000337131492 389046711 /nfs/dbraw/zinc/04/67/11/389046711.db2.gz ACEYLHNZAZZJOI-CHWSQXEVSA-N 2 2 251.374 0.657 20 30 CCEDLP C#CCC[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302233699 389066606 /nfs/dbraw/zinc/06/66/06/389066606.db2.gz TUTCFNUUEIVQOQ-UHFFFAOYSA-N 2 2 258.325 0.326 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341465 389039067 /nfs/dbraw/zinc/03/90/67/389039067.db2.gz JZFCPMJSLILEEF-STQMWFEESA-N 2 2 251.374 0.856 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341465 389039071 /nfs/dbraw/zinc/03/90/71/389039071.db2.gz JZFCPMJSLILEEF-STQMWFEESA-N 2 2 251.374 0.856 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000339020138 389122113 /nfs/dbraw/zinc/12/21/13/389122113.db2.gz DCLLJYQNOISQIP-CQSZACIVSA-N 2 2 294.399 0.155 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOCCC#N)CC1 ZINC000339020138 389122116 /nfs/dbraw/zinc/12/21/16/389122116.db2.gz DCLLJYQNOISQIP-CQSZACIVSA-N 2 2 294.399 0.155 20 30 CCEDLP C[NH+]1CCC([NH+]=C([O-])N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329635958 389180632 /nfs/dbraw/zinc/18/06/32/389180632.db2.gz XXFZHRNJALONFL-LLVKDONJSA-N 2 2 277.372 0.865 20 30 CCEDLP C[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247783059 389242628 /nfs/dbraw/zinc/24/26/28/389242628.db2.gz XWYKBOUALBCSIM-VXGBXAGGSA-N 2 2 261.329 0.406 20 30 CCEDLP C[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247783059 389242631 /nfs/dbraw/zinc/24/26/31/389242631.db2.gz XWYKBOUALBCSIM-VXGBXAGGSA-N 2 2 261.329 0.406 20 30 CCEDLP CC#CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367166953 389324907 /nfs/dbraw/zinc/32/49/07/389324907.db2.gz BNVLSHBDCRJHRV-ZDUSSCGKSA-N 2 2 278.400 0.477 20 30 CCEDLP CC#CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367166953 389324909 /nfs/dbraw/zinc/32/49/09/389324909.db2.gz BNVLSHBDCRJHRV-ZDUSSCGKSA-N 2 2 278.400 0.477 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261965270 389278582 /nfs/dbraw/zinc/27/85/82/389278582.db2.gz LGODPCLSUZOJQD-OCCSQVGLSA-N 3 2 290.415 0.531 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261965270 389278584 /nfs/dbraw/zinc/27/85/84/389278584.db2.gz LGODPCLSUZOJQD-OCCSQVGLSA-N 3 2 290.415 0.531 20 30 CCEDLP COCCNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](C)C ZINC000264104304 389307152 /nfs/dbraw/zinc/30/71/52/389307152.db2.gz PAJWFVLBAOPNBX-LLVKDONJSA-N 2 2 270.402 0.902 20 30 CCEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000399308647 389790894 /nfs/dbraw/zinc/79/08/94/389790894.db2.gz QTXNLYHRLISUNT-OAHLLOKOSA-N 2 2 283.416 0.941 20 30 CCEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000399308647 389790896 /nfs/dbraw/zinc/79/08/96/389790896.db2.gz QTXNLYHRLISUNT-OAHLLOKOSA-N 2 2 283.416 0.941 20 30 CCEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352457407 389813902 /nfs/dbraw/zinc/81/39/02/389813902.db2.gz COZRIMBLRCEPLI-UHFFFAOYSA-N 2 2 296.390 0.915 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430974400 389842485 /nfs/dbraw/zinc/84/24/85/389842485.db2.gz ZESVKVAHZJHEQJ-OUAUKWLOSA-N 2 2 268.361 0.056 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430974400 389842488 /nfs/dbraw/zinc/84/24/88/389842488.db2.gz ZESVKVAHZJHEQJ-OUAUKWLOSA-N 2 2 268.361 0.056 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371700 389994075 /nfs/dbraw/zinc/99/40/75/389994075.db2.gz LUYFVOWFBULKJU-JSGCOSHPSA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371700 389994076 /nfs/dbraw/zinc/99/40/76/389994076.db2.gz LUYFVOWFBULKJU-JSGCOSHPSA-N 2 2 251.374 0.753 20 30 CCEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCC3)CC[C@H]21 ZINC000527377087 390704123 /nfs/dbraw/zinc/70/41/23/390704123.db2.gz GIJDIBYFWOLTPS-ZIAGYGMSSA-N 2 2 290.411 0.965 20 30 CCEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCC3)CC[C@H]21 ZINC000527377087 390704125 /nfs/dbraw/zinc/70/41/25/390704125.db2.gz GIJDIBYFWOLTPS-ZIAGYGMSSA-N 2 2 290.411 0.965 20 30 CCEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC3(C#N)CCC3)CC[C@H]21 ZINC000527377087 390704128 /nfs/dbraw/zinc/70/41/28/390704128.db2.gz GIJDIBYFWOLTPS-ZIAGYGMSSA-N 2 2 290.411 0.965 20 30 CCEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC3(C#N)CCC3)CC[C@H]21 ZINC000527377087 390704131 /nfs/dbraw/zinc/70/41/31/390704131.db2.gz GIJDIBYFWOLTPS-ZIAGYGMSSA-N 2 2 290.411 0.965 20 30 CCEDLP CC#CCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000567711688 390710580 /nfs/dbraw/zinc/71/05/80/390710580.db2.gz MGVBZWVDAFJFKO-IHRRRGAJSA-N 2 2 254.374 0.460 20 30 CCEDLP C=CCN(CC(F)(F)F)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653077857 412210579 /nfs/dbraw/zinc/21/05/79/412210579.db2.gz NHLDJYPTZHPICY-VIFPVBQESA-N 2 2 267.295 0.842 20 30 CCEDLP C=CC[C@]1(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662721480 414746418 /nfs/dbraw/zinc/74/64/18/414746418.db2.gz WYALCVWJGJLOQI-IJEWVQPXSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CCN1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000663304859 415039560 /nfs/dbraw/zinc/03/95/60/415039560.db2.gz UFYPRKKTUDYRBG-CABCVRRESA-N 2 2 293.411 0.616 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000490699465 261188265 /nfs/dbraw/zinc/18/82/65/261188265.db2.gz QJLNBHKGFUUWPC-KGLIPLIRSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000490699465 261188267 /nfs/dbraw/zinc/18/82/67/261188267.db2.gz QJLNBHKGFUUWPC-KGLIPLIRSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000490699465 261188268 /nfs/dbraw/zinc/18/82/68/261188268.db2.gz QJLNBHKGFUUWPC-KGLIPLIRSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000490699465 261188269 /nfs/dbraw/zinc/18/82/69/261188269.db2.gz QJLNBHKGFUUWPC-KGLIPLIRSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368924032 267214355 /nfs/dbraw/zinc/21/43/55/267214355.db2.gz GMYKYBXXIJWNTG-AWEZNQCLSA-N 2 2 278.400 0.430 20 30 CCEDLP C#CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368924032 267214358 /nfs/dbraw/zinc/21/43/58/267214358.db2.gz GMYKYBXXIJWNTG-AWEZNQCLSA-N 2 2 278.400 0.430 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843328 267274596 /nfs/dbraw/zinc/27/45/96/267274596.db2.gz KIDQLTIAFKUWSM-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843328 267274597 /nfs/dbraw/zinc/27/45/97/267274597.db2.gz KIDQLTIAFKUWSM-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843328 267274602 /nfs/dbraw/zinc/27/46/02/267274602.db2.gz KIDQLTIAFKUWSM-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843328 267274604 /nfs/dbraw/zinc/27/46/04/267274604.db2.gz KIDQLTIAFKUWSM-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](C2CC2)CC1 ZINC000330246013 295385039 /nfs/dbraw/zinc/38/50/39/295385039.db2.gz DYOIGHWFIWLBLK-GFCCVEGCSA-N 2 2 289.383 0.892 20 30 CCEDLP CC[C@H](C(=O)N(CCC#N)CC[NH+]1CCOCC1)[NH+](C)C ZINC000413276893 328143263 /nfs/dbraw/zinc/14/32/63/328143263.db2.gz DHXXZSCWMPWCFE-CQSZACIVSA-N 2 2 296.415 0.401 20 30 CCEDLP CC1(C)COCC[N@@H+]1CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000171413261 329075600 /nfs/dbraw/zinc/07/56/00/329075600.db2.gz HBBMEOSPANECKO-LBPRGKRZSA-N 2 2 284.404 0.181 20 30 CCEDLP CC1(C)COCC[N@H+]1CCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000171413261 329075602 /nfs/dbraw/zinc/07/56/02/329075602.db2.gz HBBMEOSPANECKO-LBPRGKRZSA-N 2 2 284.404 0.181 20 30 CCEDLP C#CCNC(NCC1([NH+]2CCOCC2)CCCCC1)=[NH+]C ZINC000263279268 330051635 /nfs/dbraw/zinc/05/16/35/330051635.db2.gz ZMAXZUNYNCVMBY-UHFFFAOYSA-N 2 2 292.427 0.820 20 30 CCEDLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1[NH+]1CCOCC1 ZINC000424157899 330305139 /nfs/dbraw/zinc/30/51/39/330305139.db2.gz RYJYYYZKXTZXOV-MGPQQGTHSA-N 2 2 294.399 0.187 20 30 CCEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000424170927 330311072 /nfs/dbraw/zinc/31/10/72/330311072.db2.gz LKLBRUPJKJSWSO-CHWSQXEVSA-N 2 2 287.367 0.798 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000424382331 330349362 /nfs/dbraw/zinc/34/93/62/330349362.db2.gz SBLTYUQIGFJLAF-RFGFWPKPSA-N 2 2 254.374 0.934 20 30 CCEDLP C=CCn1cc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)nn1 ZINC000424384174 330349482 /nfs/dbraw/zinc/34/94/82/330349482.db2.gz UTSUZQCMSFAQDI-RYUDHWBXSA-N 2 2 265.361 0.321 20 30 CCEDLP C#CC[N@@H+](CC#CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000490922213 332129475 /nfs/dbraw/zinc/12/94/75/332129475.db2.gz CDSWMHWKTNIHKO-UHFFFAOYSA-N 2 2 297.406 0.687 20 30 CCEDLP C#CC[N@H+](CC#CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000490922213 332129476 /nfs/dbraw/zinc/12/94/76/332129476.db2.gz CDSWMHWKTNIHKO-UHFFFAOYSA-N 2 2 297.406 0.687 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491782523 332346202 /nfs/dbraw/zinc/34/62/02/332346202.db2.gz OIJLMJJLOLGZIP-CYBMUJFWSA-N 2 2 262.357 0.906 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000491782523 332346204 /nfs/dbraw/zinc/34/62/04/332346204.db2.gz OIJLMJJLOLGZIP-CYBMUJFWSA-N 2 2 262.357 0.906 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669776 333327309 /nfs/dbraw/zinc/32/73/09/333327309.db2.gz JTAMZAVZINLJKD-NSHDSACASA-N 2 2 268.361 0.072 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669776 333327310 /nfs/dbraw/zinc/32/73/10/333327310.db2.gz JTAMZAVZINLJKD-NSHDSACASA-N 2 2 268.361 0.072 20 30 CCEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000549405436 334192455 /nfs/dbraw/zinc/19/24/55/334192455.db2.gz PYUDPEGGESZSOL-HUUCEWRRSA-N 2 2 290.411 0.919 20 30 CCEDLP C=CCOCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000354783525 526701649 /nfs/dbraw/zinc/70/16/49/526701649.db2.gz MCZGKGBOYKTFQC-UHFFFAOYSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618097 545184151 /nfs/dbraw/zinc/18/41/51/545184151.db2.gz OBNGEBMVHKKXBO-KBPBESRZSA-N 2 2 281.400 0.160 20 30 CCEDLP C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618097 545184152 /nfs/dbraw/zinc/18/41/52/545184152.db2.gz OBNGEBMVHKKXBO-KBPBESRZSA-N 2 2 281.400 0.160 20 30 CCEDLP CC[NH+]1CCN(CCNc2cc(C)[nH+]cc2C#N)CC1 ZINC000425201577 529145493 /nfs/dbraw/zinc/14/54/93/529145493.db2.gz AQJNEYQXRVNKCP-UHFFFAOYSA-N 2 2 273.384 0.733 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000783531523 581348576 /nfs/dbraw/zinc/34/85/76/581348576.db2.gz JCHQBFZZGDULKQ-CHWSQXEVSA-N 2 2 274.430 0.907 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000783531523 581348577 /nfs/dbraw/zinc/34/85/77/581348577.db2.gz JCHQBFZZGDULKQ-CHWSQXEVSA-N 2 2 274.430 0.907 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000783531528 581348585 /nfs/dbraw/zinc/34/85/85/581348585.db2.gz JCHQBFZZGDULKQ-QWHCGFSZSA-N 2 2 274.430 0.907 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000783531528 581348587 /nfs/dbraw/zinc/34/85/87/581348587.db2.gz JCHQBFZZGDULKQ-QWHCGFSZSA-N 2 2 274.430 0.907 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000786159572 581432632 /nfs/dbraw/zinc/43/26/32/581432632.db2.gz RSKDZTANIBQZPW-UHFFFAOYSA-N 2 2 268.320 0.725 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000787677372 581475537 /nfs/dbraw/zinc/47/55/37/581475537.db2.gz VSFSYQMDGNFNOJ-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000787677372 581475538 /nfs/dbraw/zinc/47/55/38/581475538.db2.gz VSFSYQMDGNFNOJ-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCCC#N)CC[C@H]21 ZINC000766121630 581550486 /nfs/dbraw/zinc/55/04/86/581550486.db2.gz GECRRDAJUNNUPX-QWHCGFSZSA-N 2 2 264.373 0.432 20 30 CCEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCCC#N)CC[C@H]21 ZINC000766121630 581550489 /nfs/dbraw/zinc/55/04/89/581550489.db2.gz GECRRDAJUNNUPX-QWHCGFSZSA-N 2 2 264.373 0.432 20 30 CCEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCCC#N)CC[C@H]21 ZINC000766121630 581550492 /nfs/dbraw/zinc/55/04/92/581550492.db2.gz GECRRDAJUNNUPX-QWHCGFSZSA-N 2 2 264.373 0.432 20 30 CCEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCCC#N)CC[C@H]21 ZINC000766121630 581550495 /nfs/dbraw/zinc/55/04/95/581550495.db2.gz GECRRDAJUNNUPX-QWHCGFSZSA-N 2 2 264.373 0.432 20 30 CCEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NCCC#N)CC1 ZINC000759967547 581833682 /nfs/dbraw/zinc/83/36/82/581833682.db2.gz QGNDLUQQDVCBTQ-GFCCVEGCSA-N 2 2 252.362 0.432 20 30 CCEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NCCC#N)CC1 ZINC000759967547 581833685 /nfs/dbraw/zinc/83/36/85/581833685.db2.gz QGNDLUQQDVCBTQ-GFCCVEGCSA-N 2 2 252.362 0.432 20 30 CCEDLP N#CCCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984799 581892252 /nfs/dbraw/zinc/89/22/52/581892252.db2.gz QTHBTRVEJQKNOO-UHFFFAOYSA-N 2 2 261.329 0.619 20 30 CCEDLP CCOCCO[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000774439106 581973814 /nfs/dbraw/zinc/97/38/14/581973814.db2.gz TTZPPXSWIOBALL-UHFFFAOYSA-N 2 2 293.371 0.615 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000764506151 582053718 /nfs/dbraw/zinc/05/37/18/582053718.db2.gz KMTWLBWMJPQJPO-OAHLLOKOSA-N 2 2 295.427 0.818 20 30 CCEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC#N)[C@@H](C)C1 ZINC000750826922 582060238 /nfs/dbraw/zinc/06/02/38/582060238.db2.gz UDEKDDKTKQBCCQ-QWHCGFSZSA-N 2 2 266.389 0.678 20 30 CCEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC#N)[C@@H](C)C1 ZINC000750826922 582060241 /nfs/dbraw/zinc/06/02/41/582060241.db2.gz UDEKDDKTKQBCCQ-QWHCGFSZSA-N 2 2 266.389 0.678 20 30 CCEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCC#N)[C@@H](C)C1 ZINC000750826922 582060244 /nfs/dbraw/zinc/06/02/44/582060244.db2.gz UDEKDDKTKQBCCQ-QWHCGFSZSA-N 2 2 266.389 0.678 20 30 CCEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCC#N)[C@@H](C)C1 ZINC000750826922 582060246 /nfs/dbraw/zinc/06/02/46/582060246.db2.gz UDEKDDKTKQBCCQ-QWHCGFSZSA-N 2 2 266.389 0.678 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000750854604 582061720 /nfs/dbraw/zinc/06/17/20/582061720.db2.gz QVBKWFKCDPAEDO-CQSZACIVSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000969138486 612963665 /nfs/dbraw/zinc/96/36/65/612963665.db2.gz WUBTXAQCIKTMBW-QWHCGFSZSA-N 2 2 272.352 0.269 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947759250 613017562 /nfs/dbraw/zinc/01/75/62/613017562.db2.gz ZSQIKTTXOBXRMZ-CHWSQXEVSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947759250 613017563 /nfs/dbraw/zinc/01/75/63/613017563.db2.gz ZSQIKTTXOBXRMZ-CHWSQXEVSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[C@@H](COC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000862549826 613038226 /nfs/dbraw/zinc/03/82/26/613038226.db2.gz FWLNGQLDKMALTC-GJZGRUSLSA-N 2 2 266.385 0.868 20 30 CCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969995285 613123183 /nfs/dbraw/zinc/12/31/83/613123183.db2.gz CYXNVYCVPOTINJ-QWHCGFSZSA-N 2 2 286.379 0.515 20 30 CCEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCOCC1 ZINC000853116140 613150907 /nfs/dbraw/zinc/15/09/07/613150907.db2.gz HCZBJLFYVQCBRX-GJZGRUSLSA-N 2 2 266.385 0.460 20 30 CCEDLP C#C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCOCC1 ZINC000853116140 613150910 /nfs/dbraw/zinc/15/09/10/613150910.db2.gz HCZBJLFYVQCBRX-GJZGRUSLSA-N 2 2 266.385 0.460 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000884612640 613176704 /nfs/dbraw/zinc/17/67/04/613176704.db2.gz QMZAGQZQSXEAHY-GFCCVEGCSA-N 2 2 297.366 0.754 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000884612640 613176706 /nfs/dbraw/zinc/17/67/06/613176706.db2.gz QMZAGQZQSXEAHY-GFCCVEGCSA-N 2 2 297.366 0.754 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000923561137 613181497 /nfs/dbraw/zinc/18/14/97/613181497.db2.gz SHDOYZWWJXLLQW-LBPRGKRZSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000923561137 613181498 /nfs/dbraw/zinc/18/14/98/613181498.db2.gz SHDOYZWWJXLLQW-LBPRGKRZSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000923571654 613181792 /nfs/dbraw/zinc/18/17/92/613181792.db2.gz YHGSEZLKBLQHKA-HNNXBMFYSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000923571654 613181793 /nfs/dbraw/zinc/18/17/93/613181793.db2.gz YHGSEZLKBLQHKA-HNNXBMFYSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834597086 613196741 /nfs/dbraw/zinc/19/67/41/613196741.db2.gz DXDDOPJCTKEZEH-ZNMIVQPWSA-N 2 2 293.386 0.729 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834597086 613196742 /nfs/dbraw/zinc/19/67/42/613196742.db2.gz DXDDOPJCTKEZEH-ZNMIVQPWSA-N 2 2 293.386 0.729 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CC)CC1(C)C ZINC000974684243 613202659 /nfs/dbraw/zinc/20/26/59/613202659.db2.gz GZMVHXXLLVPZDV-KBPBESRZSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC000974684243 613202661 /nfs/dbraw/zinc/20/26/61/613202661.db2.gz GZMVHXXLLVPZDV-KBPBESRZSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC)CC1(C)C ZINC000974684243 613202662 /nfs/dbraw/zinc/20/26/62/613202662.db2.gz GZMVHXXLLVPZDV-KBPBESRZSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CC)CC1(C)C ZINC000974684243 613202664 /nfs/dbraw/zinc/20/26/64/613202664.db2.gz GZMVHXXLLVPZDV-KBPBESRZSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449725 613297952 /nfs/dbraw/zinc/29/79/52/613297952.db2.gz CKQZSQRDURAIFI-ZDUSSCGKSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449725 613297954 /nfs/dbraw/zinc/29/79/54/613297954.db2.gz CKQZSQRDURAIFI-ZDUSSCGKSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960646119 613315832 /nfs/dbraw/zinc/31/58/32/613315832.db2.gz ICIXKPQYQDFKIW-FOCJUVANSA-N 2 2 298.390 0.503 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960646119 613315834 /nfs/dbraw/zinc/31/58/34/613315834.db2.gz ICIXKPQYQDFKIW-FOCJUVANSA-N 2 2 298.390 0.503 20 30 CCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960646119 613315835 /nfs/dbraw/zinc/31/58/35/613315835.db2.gz ICIXKPQYQDFKIW-FOCJUVANSA-N 2 2 298.390 0.503 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960646119 613315837 /nfs/dbraw/zinc/31/58/37/613315837.db2.gz ICIXKPQYQDFKIW-FOCJUVANSA-N 2 2 298.390 0.503 20 30 CCEDLP C=C(C)C[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000949314506 613317255 /nfs/dbraw/zinc/31/72/55/613317255.db2.gz IRTGCJJUFQRODM-UHFFFAOYSA-N 2 2 262.357 0.912 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852010320 613324974 /nfs/dbraw/zinc/32/49/74/613324974.db2.gz WTMJGJNLTBFBFG-HNNXBMFYSA-N 2 2 293.411 0.313 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852010320 613324976 /nfs/dbraw/zinc/32/49/76/613324976.db2.gz WTMJGJNLTBFBFG-HNNXBMFYSA-N 2 2 293.411 0.313 20 30 CCEDLP C#CCNC(=O)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886671768 613328722 /nfs/dbraw/zinc/32/87/22/613328722.db2.gz CNMHZJLLKUFXSM-UHFFFAOYSA-N 2 2 274.368 0.955 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874705225 613366434 /nfs/dbraw/zinc/36/64/34/613366434.db2.gz AWHXHFJERJSZFY-CYBMUJFWSA-N 2 2 269.389 0.331 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874705225 613366435 /nfs/dbraw/zinc/36/64/35/613366435.db2.gz AWHXHFJERJSZFY-CYBMUJFWSA-N 2 2 269.389 0.331 20 30 CCEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961182089 613382225 /nfs/dbraw/zinc/38/22/25/613382225.db2.gz IEEYSWCOTZHTFG-IMRBUKKESA-N 2 2 294.786 0.990 20 30 CCEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC000961182089 613382226 /nfs/dbraw/zinc/38/22/26/613382226.db2.gz IEEYSWCOTZHTFG-IMRBUKKESA-N 2 2 294.786 0.990 20 30 CCEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962590135 613382387 /nfs/dbraw/zinc/38/23/87/613382387.db2.gz PYUONVWHIGAMPL-IMRBUKKESA-N 2 2 294.786 0.990 20 30 CCEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC000962590135 613382388 /nfs/dbraw/zinc/38/23/88/613382388.db2.gz PYUONVWHIGAMPL-IMRBUKKESA-N 2 2 294.786 0.990 20 30 CCEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970098323 613384844 /nfs/dbraw/zinc/38/48/44/613384844.db2.gz RYJXSUXLHPOALR-SNVBAGLBSA-N 2 2 268.748 0.895 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000876960254 613390001 /nfs/dbraw/zinc/39/00/01/613390001.db2.gz BOVVYIHPYGRANV-LBPRGKRZSA-N 3 2 290.839 0.456 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000876960254 613390002 /nfs/dbraw/zinc/39/00/02/613390002.db2.gz BOVVYIHPYGRANV-LBPRGKRZSA-N 3 2 290.839 0.456 20 30 CCEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039585 613628011 /nfs/dbraw/zinc/62/80/11/613628011.db2.gz JUHKTXPVGDGPMZ-ZDUSSCGKSA-N 2 2 262.357 0.992 20 30 CCEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039585 613628013 /nfs/dbraw/zinc/62/80/13/613628013.db2.gz JUHKTXPVGDGPMZ-ZDUSSCGKSA-N 2 2 262.357 0.992 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000952444761 613708370 /nfs/dbraw/zinc/70/83/70/613708370.db2.gz DNCBXOCRNYGGCA-UHFFFAOYSA-N 2 2 281.400 0.427 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743537 613855325 /nfs/dbraw/zinc/85/53/25/613855325.db2.gz CQPQOGIXXBLDFF-SGMGOOAPSA-N 2 2 251.374 0.561 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743537 613855327 /nfs/dbraw/zinc/85/53/27/613855327.db2.gz CQPQOGIXXBLDFF-SGMGOOAPSA-N 2 2 251.374 0.561 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743537 613855328 /nfs/dbraw/zinc/85/53/28/613855328.db2.gz CQPQOGIXXBLDFF-SGMGOOAPSA-N 2 2 251.374 0.561 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743537 613855330 /nfs/dbraw/zinc/85/53/30/613855330.db2.gz CQPQOGIXXBLDFF-SGMGOOAPSA-N 2 2 251.374 0.561 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884192270 613878563 /nfs/dbraw/zinc/87/85/63/613878563.db2.gz AXBGARDOFQIPQZ-AGIUHOORSA-N 2 2 295.383 0.176 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884192270 613878564 /nfs/dbraw/zinc/87/85/64/613878564.db2.gz AXBGARDOFQIPQZ-AGIUHOORSA-N 2 2 295.383 0.176 20 30 CCEDLP CC(C)(CNC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000852854379 614092459 /nfs/dbraw/zinc/09/24/59/614092459.db2.gz GWHHDQJUWAWMQA-UHFFFAOYSA-N 2 2 293.411 0.216 20 30 CCEDLP CCCO[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000842558245 614942383 /nfs/dbraw/zinc/94/23/83/614942383.db2.gz VOLDDUMASHPQJO-UHFFFAOYSA-N 2 2 263.345 0.989 20 30 CCEDLP CCOCCCNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000104152603 615241584 /nfs/dbraw/zinc/24/15/84/615241584.db2.gz AQPYGQWVTSCTEZ-UHFFFAOYSA-N 2 2 253.350 0.604 20 30 CCEDLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000877433785 615566905 /nfs/dbraw/zinc/56/69/05/615566905.db2.gz JDXLPTMIEUDIKU-OAHLLOKOSA-N 2 2 293.411 0.216 20 30 CCEDLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000877433785 615566906 /nfs/dbraw/zinc/56/69/06/615566906.db2.gz JDXLPTMIEUDIKU-OAHLLOKOSA-N 2 2 293.411 0.216 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]12 ZINC001026325254 625398421 /nfs/dbraw/zinc/39/84/21/625398421.db2.gz WPKOCMBOMYBHPW-QLFBSQMISA-N 2 2 286.379 0.733 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]12 ZINC001026432534 625447728 /nfs/dbraw/zinc/44/77/28/625447728.db2.gz URNJHJACXHAISU-HZSPNIEDSA-N 2 2 272.352 0.343 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021127861 624662995 /nfs/dbraw/zinc/66/29/95/624662995.db2.gz XZTBQTXNZWBMDY-XYPYZODXSA-N 2 2 268.748 0.872 20 30 CCEDLP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001009592302 625860917 /nfs/dbraw/zinc/86/09/17/625860917.db2.gz HFBXJAIXGRPTLZ-ZIAGYGMSSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001009592302 625860920 /nfs/dbraw/zinc/86/09/20/625860920.db2.gz HFBXJAIXGRPTLZ-ZIAGYGMSSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009592302 625860922 /nfs/dbraw/zinc/86/09/22/625860922.db2.gz HFBXJAIXGRPTLZ-ZIAGYGMSSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009592302 625860927 /nfs/dbraw/zinc/86/09/27/625860927.db2.gz HFBXJAIXGRPTLZ-ZIAGYGMSSA-N 2 2 281.400 0.474 20 30 CCEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])NC2CC2)C[C@@H](C)O1 ZINC000261738571 631560204 /nfs/dbraw/zinc/56/02/04/631560204.db2.gz IGJZNFLHKNHZIC-GHMZBOCLSA-N 2 2 268.405 0.941 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000841119833 631590798 /nfs/dbraw/zinc/59/07/98/631590798.db2.gz COWRSHRVNWVREC-KOLCDFICSA-N 2 2 270.296 0.567 20 30 CCEDLP O=C1[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCCN1O ZINC000895159399 631992952 /nfs/dbraw/zinc/99/29/52/631992952.db2.gz VEHOCWFIJKMTAN-GFCCVEGCSA-N 2 2 253.346 0.583 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC000986602377 632778071 /nfs/dbraw/zinc/77/80/71/632778071.db2.gz PBPLQHHYXMHYBP-QWHCGFSZSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC000989220522 633170011 /nfs/dbraw/zinc/17/00/11/633170011.db2.gz HVQIUTPQKOJUOX-QWHCGFSZSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CCC[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562589 633329665 /nfs/dbraw/zinc/32/96/65/633329665.db2.gz HVPPGEFCAKHYCT-UHFFFAOYSA-N 2 2 274.368 0.818 20 30 CCEDLP C#CCC[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562589 633329671 /nfs/dbraw/zinc/32/96/71/633329671.db2.gz HVPPGEFCAKHYCT-UHFFFAOYSA-N 2 2 274.368 0.818 20 30 CCEDLP C#CCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989786925 633354276 /nfs/dbraw/zinc/35/42/76/633354276.db2.gz CFMPRBYLRFFUCW-UHFFFAOYSA-N 2 2 260.341 0.441 20 30 CCEDLP C#CCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989786925 633354280 /nfs/dbraw/zinc/35/42/80/633354280.db2.gz CFMPRBYLRFFUCW-UHFFFAOYSA-N 2 2 260.341 0.441 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994233097 637876991 /nfs/dbraw/zinc/87/69/91/637876991.db2.gz RIHJJHPKHMQJSA-ZFWWWQNUSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994233097 637876996 /nfs/dbraw/zinc/87/69/96/637876996.db2.gz RIHJJHPKHMQJSA-ZFWWWQNUSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994506656 637955577 /nfs/dbraw/zinc/95/55/77/637955577.db2.gz LNFKGAWXSFZPRS-QWHCGFSZSA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994506656 637955582 /nfs/dbraw/zinc/95/55/82/637955582.db2.gz LNFKGAWXSFZPRS-QWHCGFSZSA-N 2 2 260.341 0.485 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994510086 637956676 /nfs/dbraw/zinc/95/66/76/637956676.db2.gz RVIFVFPBFRSPER-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994510086 637956680 /nfs/dbraw/zinc/95/66/80/637956680.db2.gz RVIFVFPBFRSPER-KGLIPLIRSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997178660 638858036 /nfs/dbraw/zinc/85/80/36/638858036.db2.gz FDCWEKKJRKIVND-UHFFFAOYSA-N 2 2 260.341 0.176 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014795490 650488739 /nfs/dbraw/zinc/48/87/39/650488739.db2.gz AVFKHVTUJBRFJU-JHJVBQTASA-N 2 2 272.352 0.727 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014795490 650488741 /nfs/dbraw/zinc/48/87/41/650488741.db2.gz AVFKHVTUJBRFJU-JHJVBQTASA-N 2 2 272.352 0.727 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015213988 650539572 /nfs/dbraw/zinc/53/95/72/650539572.db2.gz BNVSORZPPHMCQV-CYBMUJFWSA-N 2 2 295.346 0.705 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015213988 650539574 /nfs/dbraw/zinc/53/95/74/650539574.db2.gz BNVSORZPPHMCQV-CYBMUJFWSA-N 2 2 295.346 0.705 20 30 CCEDLP C#CC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006063947 640104903 /nfs/dbraw/zinc/10/49/03/640104903.db2.gz IDOLHUXZYFGUJO-UHFFFAOYSA-N 2 2 260.341 0.508 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015890535 650650498 /nfs/dbraw/zinc/65/04/98/650650498.db2.gz QZKXYJQBKDCDNO-CQSZACIVSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001015890535 650650499 /nfs/dbraw/zinc/65/04/99/650650499.db2.gz QZKXYJQBKDCDNO-CQSZACIVSA-N 2 2 263.385 0.542 20 30 CCEDLP Cc1[nH+]cc(C=NNC(=S)NCCC[NH+](C)C)n1C ZINC000853305865 644097444 /nfs/dbraw/zinc/09/74/44/644097444.db2.gz LTIDMQHFTRGXIK-UHFFFAOYSA-N 2 2 282.417 0.478 20 30 CCEDLP C(#CCN1CCn2cc[nH+]c21)CN1CCn2cc[nH+]c21 ZINC000931521418 649000780 /nfs/dbraw/zinc/00/07/80/649000780.db2.gz HXHBWVHKPGXCNJ-UHFFFAOYSA-N 2 2 268.324 0.423 20 30 CCEDLP CC(C)CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000303790820 649824848 /nfs/dbraw/zinc/82/48/48/649824848.db2.gz WWUNDHLAUVSAFI-ZDUSSCGKSA-N 2 2 270.421 0.904 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266716716 791176407 /nfs/dbraw/zinc/17/64/07/791176407.db2.gz NWFOHEBAJFWHOK-UTUOFQBUSA-N 2 2 260.341 0.458 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266716716 791176412 /nfs/dbraw/zinc/17/64/12/791176412.db2.gz NWFOHEBAJFWHOK-UTUOFQBUSA-N 2 2 260.341 0.458 20 30 CCEDLP CC#CC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167532290 791514368 /nfs/dbraw/zinc/51/43/68/791514368.db2.gz MAABEKDMYRNAIW-UHFFFAOYSA-N 2 2 274.368 0.852 20 30 CCEDLP CC#CC[N@H+](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267217481 791688426 /nfs/dbraw/zinc/68/84/26/791688426.db2.gz HXXOADMITZCCNE-CQSZACIVSA-N 2 2 288.395 0.825 20 30 CCEDLP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267217481 791688429 /nfs/dbraw/zinc/68/84/29/791688429.db2.gz HXXOADMITZCCNE-CQSZACIVSA-N 2 2 288.395 0.825 20 30 CCEDLP C=CC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152603953 800542713 /nfs/dbraw/zinc/54/27/13/800542713.db2.gz RVVHOXGYHLRHSA-ZDUSSCGKSA-N 2 2 262.357 0.576 20 30 CCEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011783 801093427 /nfs/dbraw/zinc/09/34/27/801093427.db2.gz RIDDWJTXLZWAAT-GFCCVEGCSA-N 2 2 262.357 0.802 20 30 CCEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011783 801093433 /nfs/dbraw/zinc/09/34/33/801093433.db2.gz RIDDWJTXLZWAAT-GFCCVEGCSA-N 2 2 262.357 0.802 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)CC1 ZINC001160432385 801939799 /nfs/dbraw/zinc/93/97/99/801939799.db2.gz UYBYJJZURXXJNN-CYBMUJFWSA-N 2 2 283.416 0.849 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CC1 ZINC001160431752 801940572 /nfs/dbraw/zinc/94/05/72/801940572.db2.gz DFXCUARTPNVIOG-MELADBBJSA-N 2 2 279.384 0.084 20 30 CCEDLP CCCCN(CC#N)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160730661 802011263 /nfs/dbraw/zinc/01/12/63/802011263.db2.gz RSCLNOHIFWFTMF-LBPRGKRZSA-N 2 2 263.345 0.442 20 30 CCEDLP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265002745 809690371 /nfs/dbraw/zinc/69/03/71/809690371.db2.gz QFWJZVKFWRBFGH-AWEZNQCLSA-N 2 2 288.395 0.907 20 30 CCEDLP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265002745 809690373 /nfs/dbraw/zinc/69/03/73/809690373.db2.gz QFWJZVKFWRBFGH-AWEZNQCLSA-N 2 2 288.395 0.907 20 30 CCEDLP N#Cc1c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)sc2c1CCC2 ZINC001218547575 803999824 /nfs/dbraw/zinc/99/98/24/803999824.db2.gz JPEKHSVUHUCNPB-XCBNKYQSSA-N 2 2 276.365 0.736 20 30 CCEDLP Cc1[nH]c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(C#N)c1C ZINC001218556641 804004073 /nfs/dbraw/zinc/00/40/73/804004073.db2.gz WGRKKTMHJQKMMS-GYSYKLTISA-N 2 2 273.340 0.664 20 30 CCEDLP N#Cc1sccc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218624792 804041632 /nfs/dbraw/zinc/04/16/32/804041632.db2.gz ODMSZZYXCQWFCS-RWYTXXIDSA-N 2 2 262.338 0.780 20 30 CCEDLP N#Cc1ccc(F)c(F)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001219315347 804267337 /nfs/dbraw/zinc/26/73/37/804267337.db2.gz WAJOPBQLILWGMJ-QMMMGPOBSA-N 2 2 254.240 0.451 20 30 CCEDLP N#C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001219557446 804348026 /nfs/dbraw/zinc/34/80/26/804348026.db2.gz AHVNZRDTVXNWAM-OLZOCXBDSA-N 2 2 269.308 0.661 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083459786 815019124 /nfs/dbraw/zinc/01/91/24/815019124.db2.gz AGOGRQWAYUYPDD-KGLIPLIRSA-N 2 2 295.427 0.598 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083459786 815019127 /nfs/dbraw/zinc/01/91/27/815019127.db2.gz AGOGRQWAYUYPDD-KGLIPLIRSA-N 2 2 295.427 0.598 20 30 CCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222104256 804869932 /nfs/dbraw/zinc/86/99/32/804869932.db2.gz HCPJRPXCNUUYGR-CQSZACIVSA-N 2 2 290.367 0.114 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001251857476 807722978 /nfs/dbraw/zinc/72/29/78/807722978.db2.gz DIMOYCGDLNUEAU-MJBXVCDLSA-N 2 2 252.358 0.023 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001251857476 807722981 /nfs/dbraw/zinc/72/29/81/807722981.db2.gz DIMOYCGDLNUEAU-MJBXVCDLSA-N 2 2 252.358 0.023 20 30 CCEDLP C#CCOC[C@H](O)C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001251857476 807722982 /nfs/dbraw/zinc/72/29/82/807722982.db2.gz DIMOYCGDLNUEAU-MJBXVCDLSA-N 2 2 252.358 0.023 20 30 CCEDLP C#CCOC[C@H](O)C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001251857476 807722984 /nfs/dbraw/zinc/72/29/84/807722984.db2.gz DIMOYCGDLNUEAU-MJBXVCDLSA-N 2 2 252.358 0.023 20 30 CCEDLP C=CCOC[C@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001252473252 807885951 /nfs/dbraw/zinc/88/59/51/807885951.db2.gz JLJTXMXJKHPCED-CYBMUJFWSA-N 2 2 253.346 0.769 20 30 CCEDLP C=CCOC[C@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001252473252 807885957 /nfs/dbraw/zinc/88/59/57/807885957.db2.gz JLJTXMXJKHPCED-CYBMUJFWSA-N 2 2 253.346 0.769 20 30 CCEDLP C=C[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001253577919 808084680 /nfs/dbraw/zinc/08/46/80/808084680.db2.gz RBVVJSDMHXMZEA-OWCLPIDISA-N 2 2 290.411 0.721 20 30 CCEDLP C=C[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001253577919 808084689 /nfs/dbraw/zinc/08/46/89/808084689.db2.gz RBVVJSDMHXMZEA-OWCLPIDISA-N 2 2 290.411 0.721 20 30 CCEDLP C=C[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001253577919 808084696 /nfs/dbraw/zinc/08/46/96/808084696.db2.gz RBVVJSDMHXMZEA-OWCLPIDISA-N 2 2 290.411 0.721 20 30 CCEDLP C=C[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001253577919 808084705 /nfs/dbraw/zinc/08/47/05/808084705.db2.gz RBVVJSDMHXMZEA-OWCLPIDISA-N 2 2 290.411 0.721 20 30 CCEDLP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001278812253 808280839 /nfs/dbraw/zinc/28/08/39/808280839.db2.gz ZZTYTZFEJKLGEC-JHJVBQTASA-N 2 2 292.383 0.119 20 30 CCEDLP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265792172 809854511 /nfs/dbraw/zinc/85/45/11/809854511.db2.gz JAZDTIOBFKIMMS-NEPJUHHUSA-N 2 2 260.341 0.173 20 30 CCEDLP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001267587309 811488856 /nfs/dbraw/zinc/48/88/56/811488856.db2.gz LBNMWSVOUZZOSP-AWEZNQCLSA-N 2 2 288.395 0.766 20 30 CCEDLP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001267587309 811488858 /nfs/dbraw/zinc/48/88/58/811488858.db2.gz LBNMWSVOUZZOSP-AWEZNQCLSA-N 2 2 288.395 0.766 20 30 CCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001077169744 815453010 /nfs/dbraw/zinc/45/30/10/815453010.db2.gz ICTFHZIQSNSKMF-HBJVGIJOSA-N 2 2 290.367 0.251 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001077169744 815453015 /nfs/dbraw/zinc/45/30/15/815453015.db2.gz ICTFHZIQSNSKMF-HBJVGIJOSA-N 2 2 290.367 0.251 20 30 CCEDLP CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105338 811842243 /nfs/dbraw/zinc/84/22/43/811842243.db2.gz PXYLWHQJFJSEMX-HUUCEWRRSA-N 2 2 288.395 0.981 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001027970802 812178081 /nfs/dbraw/zinc/17/80/81/812178081.db2.gz RFFRBKAGIQSXSB-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001027970802 812178086 /nfs/dbraw/zinc/17/80/86/812178086.db2.gz RFFRBKAGIQSXSB-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970802 812178092 /nfs/dbraw/zinc/17/80/92/812178092.db2.gz RFFRBKAGIQSXSB-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001027970802 812178096 /nfs/dbraw/zinc/17/80/96/812178096.db2.gz RFFRBKAGIQSXSB-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027982407 812193080 /nfs/dbraw/zinc/19/30/80/812193080.db2.gz VQMWNKBIGLYSIC-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027982407 812193087 /nfs/dbraw/zinc/19/30/87/812193087.db2.gz VQMWNKBIGLYSIC-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C=CCC[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001268431225 812563886 /nfs/dbraw/zinc/56/38/86/812563886.db2.gz MOAWSIKJUVNBFR-LBPRGKRZSA-N 2 2 250.346 0.944 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001269332226 813328933 /nfs/dbraw/zinc/32/89/33/813328933.db2.gz OCYCEFQNHBAZAN-KBPBESRZSA-N 2 2 265.401 0.786 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001269332226 813328939 /nfs/dbraw/zinc/32/89/39/813328939.db2.gz OCYCEFQNHBAZAN-KBPBESRZSA-N 2 2 265.401 0.786 20 30 CCEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001270650210 813871567 /nfs/dbraw/zinc/87/15/67/813871567.db2.gz ROWDFFXWGFFCSD-HNNXBMFYSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001270650210 813871575 /nfs/dbraw/zinc/87/15/75/813871575.db2.gz ROWDFFXWGFFCSD-HNNXBMFYSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001271282556 814366965 /nfs/dbraw/zinc/36/69/65/814366965.db2.gz ZHFJSFKAAHFLJZ-AWEZNQCLSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271282556 814366971 /nfs/dbraw/zinc/36/69/71/814366971.db2.gz ZHFJSFKAAHFLJZ-AWEZNQCLSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001030340599 815982211 /nfs/dbraw/zinc/98/22/11/815982211.db2.gz WAJFYFMOPFQKFE-UONOGXRCSA-N 2 2 263.385 0.540 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001030340599 815982217 /nfs/dbraw/zinc/98/22/17/815982217.db2.gz WAJFYFMOPFQKFE-UONOGXRCSA-N 2 2 263.385 0.540 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030345176 815986190 /nfs/dbraw/zinc/98/61/90/815986190.db2.gz ADRFXTIFKKAEKJ-KBPBESRZSA-N 2 2 279.384 0.226 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030345176 815986195 /nfs/dbraw/zinc/98/61/95/815986195.db2.gz ADRFXTIFKKAEKJ-KBPBESRZSA-N 2 2 279.384 0.226 20 30 CCEDLP C=CCC[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001030608321 816143382 /nfs/dbraw/zinc/14/33/82/816143382.db2.gz FPAKTFGDACHMMP-UHFFFAOYSA-N 2 2 263.385 0.991 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001272323535 816313056 /nfs/dbraw/zinc/31/30/56/816313056.db2.gz RHKFGDKBHGXWAH-QWHCGFSZSA-N 2 2 274.368 0.850 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030844709 816338176 /nfs/dbraw/zinc/33/81/76/816338176.db2.gz FIOYLRDUYMBVMQ-STQMWFEESA-N 2 2 263.385 0.540 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030844709 816338181 /nfs/dbraw/zinc/33/81/81/816338181.db2.gz FIOYLRDUYMBVMQ-STQMWFEESA-N 2 2 263.385 0.540 20 30 CCEDLP C=CC[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001031050650 816607785 /nfs/dbraw/zinc/60/77/85/816607785.db2.gz SEHHOTXKEAVVKI-UHFFFAOYSA-N 2 2 251.374 0.705 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498728 816793013 /nfs/dbraw/zinc/79/30/13/816793013.db2.gz NCJKVKHJSUJAER-HUUCEWRRSA-N 2 2 288.395 0.981 20 30 CCEDLP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001272664721 817025451 /nfs/dbraw/zinc/02/54/51/817025451.db2.gz ZYBOEGNSYYRPCC-CQSZACIVSA-N 2 2 274.368 0.735 20 30 CCEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001031415501 817040393 /nfs/dbraw/zinc/04/03/93/817040393.db2.gz WOSXLFACQNDCGE-ZDUSSCGKSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001031415501 817040400 /nfs/dbraw/zinc/04/04/00/817040400.db2.gz WOSXLFACQNDCGE-ZDUSSCGKSA-N 2 2 267.373 0.084 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+]([C@H](C)COC)C2)CC1 ZINC001031435253 817055074 /nfs/dbraw/zinc/05/50/74/817055074.db2.gz VSOQDDRAIWRIED-CYBMUJFWSA-N 2 2 293.411 0.167 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107817630 818032721 /nfs/dbraw/zinc/03/27/21/818032721.db2.gz VAUKQFLTVBQIDX-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107817630 818032723 /nfs/dbraw/zinc/03/27/23/818032723.db2.gz VAUKQFLTVBQIDX-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107817630 818032725 /nfs/dbraw/zinc/03/27/25/818032725.db2.gz VAUKQFLTVBQIDX-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107817630 818032727 /nfs/dbraw/zinc/03/27/27/818032727.db2.gz VAUKQFLTVBQIDX-GOEBONIOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832730 818527065 /nfs/dbraw/zinc/52/70/65/818527065.db2.gz SKOVSMZFLGALKY-KFWWJZLASA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832730 818527077 /nfs/dbraw/zinc/52/70/77/818527077.db2.gz SKOVSMZFLGALKY-KFWWJZLASA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832730 818527080 /nfs/dbraw/zinc/52/70/80/818527080.db2.gz SKOVSMZFLGALKY-KFWWJZLASA-N 2 2 295.427 0.597 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083832809 818529970 /nfs/dbraw/zinc/52/99/70/818529970.db2.gz WBOMLAYDNLNMLV-ILXRZTDVSA-N 2 2 293.411 0.044 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832809 818529977 /nfs/dbraw/zinc/52/99/77/818529977.db2.gz WBOMLAYDNLNMLV-ILXRZTDVSA-N 2 2 293.411 0.044 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832809 818529982 /nfs/dbraw/zinc/52/99/82/818529982.db2.gz WBOMLAYDNLNMLV-ILXRZTDVSA-N 2 2 293.411 0.044 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832809 818529990 /nfs/dbraw/zinc/52/99/90/818529990.db2.gz WBOMLAYDNLNMLV-ILXRZTDVSA-N 2 2 293.411 0.044 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOC)C1 ZINC001033160786 818588390 /nfs/dbraw/zinc/58/83/90/818588390.db2.gz IHZPPSRFUINURE-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOC)C1 ZINC001033160786 818588396 /nfs/dbraw/zinc/58/83/96/818588396.db2.gz IHZPPSRFUINURE-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC)C1 ZINC001033160786 818588404 /nfs/dbraw/zinc/58/84/04/818588404.db2.gz IHZPPSRFUINURE-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC)C1 ZINC001033160786 818588414 /nfs/dbraw/zinc/58/84/14/818588414.db2.gz IHZPPSRFUINURE-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034149667 819096269 /nfs/dbraw/zinc/09/62/69/819096269.db2.gz YIZPVUAYWOHTPG-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034149667 819096274 /nfs/dbraw/zinc/09/62/74/819096274.db2.gz YIZPVUAYWOHTPG-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149667 819096277 /nfs/dbraw/zinc/09/62/77/819096277.db2.gz YIZPVUAYWOHTPG-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034149667 819096282 /nfs/dbraw/zinc/09/62/82/819096282.db2.gz YIZPVUAYWOHTPG-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CC#C)C1 ZINC001034247415 819134604 /nfs/dbraw/zinc/13/46/04/819134604.db2.gz NNQXMXALEQBNCK-HOTGVXAUSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CC#C)C1 ZINC001034247415 819134607 /nfs/dbraw/zinc/13/46/07/819134607.db2.gz NNQXMXALEQBNCK-HOTGVXAUSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC#C)C1 ZINC001034247415 819134610 /nfs/dbraw/zinc/13/46/10/819134610.db2.gz NNQXMXALEQBNCK-HOTGVXAUSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CC#C)C1 ZINC001034247415 819134614 /nfs/dbraw/zinc/13/46/14/819134614.db2.gz NNQXMXALEQBNCK-HOTGVXAUSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035239250 819423861 /nfs/dbraw/zinc/42/38/61/819423861.db2.gz MYDLMQIDJJQRQG-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035239250 819423864 /nfs/dbraw/zinc/42/38/64/819423864.db2.gz MYDLMQIDJJQRQG-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035308103 819459327 /nfs/dbraw/zinc/45/93/27/819459327.db2.gz UPRZDHZDEBAARB-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035308103 819459331 /nfs/dbraw/zinc/45/93/31/819459331.db2.gz UPRZDHZDEBAARB-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035308103 819459335 /nfs/dbraw/zinc/45/93/35/819459335.db2.gz UPRZDHZDEBAARB-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035308103 819459339 /nfs/dbraw/zinc/45/93/39/819459339.db2.gz UPRZDHZDEBAARB-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035750856 819622448 /nfs/dbraw/zinc/62/24/48/819622448.db2.gz XUSFDEJWIWBSGE-UHFFFAOYSA-N 2 2 286.379 0.749 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183178 820093623 /nfs/dbraw/zinc/09/36/23/820093623.db2.gz YTPWBFPOOPTKJU-CQSZACIVSA-N 2 2 269.389 0.331 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183178 820093631 /nfs/dbraw/zinc/09/36/31/820093631.db2.gz YTPWBFPOOPTKJU-CQSZACIVSA-N 2 2 269.389 0.331 20 30 CCEDLP 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C=C(CO)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001136649734 839692400 /nfs/dbraw/zinc/69/24/00/839692400.db2.gz CIZNRBGRAUORPG-UHFFFAOYSA-N 2 2 269.389 0.019 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090678226 839733065 /nfs/dbraw/zinc/73/30/65/839733065.db2.gz FJCBKDYTAORIGT-NEPJUHHUSA-N 2 2 278.356 0.080 20 30 CCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090678226 839733076 /nfs/dbraw/zinc/73/30/76/839733076.db2.gz FJCBKDYTAORIGT-NEPJUHHUSA-N 2 2 278.356 0.080 20 30 CCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763419 839785328 /nfs/dbraw/zinc/78/53/28/839785328.db2.gz HYXLMIPSEWAVFT-OCCSQVGLSA-N 2 2 292.383 0.388 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763419 839785332 /nfs/dbraw/zinc/78/53/32/839785332.db2.gz HYXLMIPSEWAVFT-OCCSQVGLSA-N 2 2 292.383 0.388 20 30 CCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001091227405 840150875 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C=C(C[NH+]1CCCC1)C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001183086567 843961739 /nfs/dbraw/zinc/96/17/39/843961739.db2.gz XTJVHJTWNLHCOR-CYBMUJFWSA-N 2 2 278.356 0.081 20 30 CCEDLP C=C(C[NH+]1CCCC1)C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001183086567 843961745 /nfs/dbraw/zinc/96/17/45/843961745.db2.gz XTJVHJTWNLHCOR-CYBMUJFWSA-N 2 2 278.356 0.081 20 30 CCEDLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC#N ZINC001274031159 848312002 /nfs/dbraw/zinc/31/20/02/848312002.db2.gz JBYXDDFJOIRFNP-OAHLLOKOSA-N 2 2 278.400 0.919 20 30 CCEDLP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC#N ZINC001274031159 848312012 /nfs/dbraw/zinc/31/20/12/848312012.db2.gz JBYXDDFJOIRFNP-OAHLLOKOSA-N 2 2 278.400 0.919 20 30 CCEDLP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001274140724 848360077 /nfs/dbraw/zinc/36/00/77/848360077.db2.gz BTZDWZQILXLTFR-ZRUQZJFASA-N 2 2 286.379 0.731 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCC=C ZINC001038366369 849867720 /nfs/dbraw/zinc/86/77/20/849867720.db2.gz GZLQFQPXFMHTJN-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCC=C ZINC001038366369 849867722 /nfs/dbraw/zinc/86/77/22/849867722.db2.gz GZLQFQPXFMHTJN-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC=C ZINC001038366369 849867727 /nfs/dbraw/zinc/86/77/27/849867727.db2.gz GZLQFQPXFMHTJN-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCC=C ZINC001038366369 849867737 /nfs/dbraw/zinc/86/77/37/849867737.db2.gz GZLQFQPXFMHTJN-CABCVRRESA-N 2 2 275.396 0.851 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001042327412 850615165 /nfs/dbraw/zinc/61/51/65/850615165.db2.gz WZPOCASRJDQXNB-HIFRSBDPSA-N 2 2 286.379 0.817 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001042327412 850615171 /nfs/dbraw/zinc/61/51/71/850615171.db2.gz WZPOCASRJDQXNB-HIFRSBDPSA-N 2 2 286.379 0.817 20 30 CCEDLP 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C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048872822 852088956 /nfs/dbraw/zinc/08/89/56/852088956.db2.gz GYJXNXYOQNDRBV-XJFOESAGSA-N 2 2 284.363 0.537 20 30 CCEDLP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001096914065 852467216 /nfs/dbraw/zinc/46/72/16/852467216.db2.gz FDIIRSMAVYDNKI-APIJFGDWSA-N 2 2 291.395 0.062 20 30 CCEDLP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001096914065 852467220 /nfs/dbraw/zinc/46/72/20/852467220.db2.gz FDIIRSMAVYDNKI-APIJFGDWSA-N 2 2 291.395 0.062 20 30 CCEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096914065 852467222 /nfs/dbraw/zinc/46/72/22/852467222.db2.gz FDIIRSMAVYDNKI-APIJFGDWSA-N 2 2 291.395 0.062 20 30 CCEDLP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096914065 852467224 /nfs/dbraw/zinc/46/72/24/852467224.db2.gz FDIIRSMAVYDNKI-APIJFGDWSA-N 2 2 291.395 0.062 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052751631 852651405 /nfs/dbraw/zinc/65/14/05/852651405.db2.gz WTHBCBLRZZEZDO-CYBMUJFWSA-N 2 2 274.368 0.946 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052751631 852651407 /nfs/dbraw/zinc/65/14/07/852651407.db2.gz WTHBCBLRZZEZDO-CYBMUJFWSA-N 2 2 274.368 0.946 20 30 CCEDLP C=CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001054951176 853042287 /nfs/dbraw/zinc/04/22/87/853042287.db2.gz JNSUFVNCRGRKBC-OLZOCXBDSA-N 2 2 262.357 0.896 20 30 CCEDLP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994588 854512827 /nfs/dbraw/zinc/51/28/27/854512827.db2.gz IVGCJNLENIOQGK-ZIAGYGMSSA-N 2 2 298.390 0.691 20 30 CCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001072994588 854512831 /nfs/dbraw/zinc/51/28/31/854512831.db2.gz IVGCJNLENIOQGK-ZIAGYGMSSA-N 2 2 298.390 0.691 20 30 CCEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581542 854751034 /nfs/dbraw/zinc/75/10/34/854751034.db2.gz CMQSCCJOIABLPT-MELADBBJSA-N 2 2 281.400 0.472 20 30 CCEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581542 854751037 /nfs/dbraw/zinc/75/10/37/854751037.db2.gz CMQSCCJOIABLPT-MELADBBJSA-N 2 2 281.400 0.472 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001099138259 854916047 /nfs/dbraw/zinc/91/60/47/854916047.db2.gz BEJXOFKKZZXKDR-BBRMVZONSA-N 2 2 286.379 0.865 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001099138259 854916054 /nfs/dbraw/zinc/91/60/54/854916054.db2.gz BEJXOFKKZZXKDR-BBRMVZONSA-N 2 2 286.379 0.865 20 30 CCEDLP C#CCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100790108 855225526 /nfs/dbraw/zinc/22/55/26/855225526.db2.gz OZFDKSVKROFWND-UHFFFAOYSA-N 2 2 260.341 0.460 20 30 CCEDLP C#CCC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001323603598 912442181 /nfs/dbraw/zinc/44/21/81/912442181.db2.gz WJSOJRXPOWJYCS-UHFFFAOYSA-N 2 2 260.341 0.522 20 30 CCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001323624175 912453205 /nfs/dbraw/zinc/45/32/05/912453205.db2.gz IZNGQLGHWAZUFI-UHFFFAOYSA-N 2 2 268.748 0.874 20 30 CCEDLP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001324131210 912688802 /nfs/dbraw/zinc/68/88/02/912688802.db2.gz VBPKHZMILBEMDR-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001324131210 912688813 /nfs/dbraw/zinc/68/88/13/912688813.db2.gz VBPKHZMILBEMDR-UONOGXRCSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001324173784 912708110 /nfs/dbraw/zinc/70/81/10/912708110.db2.gz BVIPFHWBWBKCED-ZDUSSCGKSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001324173784 912708116 /nfs/dbraw/zinc/70/81/16/912708116.db2.gz BVIPFHWBWBKCED-ZDUSSCGKSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CC#C)CC1 ZINC001324439984 912844054 /nfs/dbraw/zinc/84/40/54/912844054.db2.gz OFKTXTHMSCQLSJ-UHFFFAOYSA-N 2 2 298.390 0.820 20 30 CCEDLP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001282174747 892953428 /nfs/dbraw/zinc/95/34/28/892953428.db2.gz MAHHJWIXOVYTJF-CHWSQXEVSA-N 2 2 262.357 0.779 20 30 CCEDLP CC#CC[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001482159836 893449852 /nfs/dbraw/zinc/44/98/52/893449852.db2.gz SWRCZZKDGGTZIR-GFCCVEGCSA-N 2 2 262.357 0.328 20 30 CCEDLP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482301981 893813522 /nfs/dbraw/zinc/81/35/22/893813522.db2.gz YDKQBZGZIATHJW-QWHCGFSZSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483354948 895491780 /nfs/dbraw/zinc/49/17/80/895491780.db2.gz DRSUXNQPTPFASS-STQMWFEESA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483354948 895491783 /nfs/dbraw/zinc/49/17/83/895491783.db2.gz DRSUXNQPTPFASS-STQMWFEESA-N 2 2 274.368 0.515 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001483710066 895890648 /nfs/dbraw/zinc/89/06/48/895890648.db2.gz SYEBGWXOUZCIQE-CYBMUJFWSA-N 2 2 251.374 0.540 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001483710066 895890661 /nfs/dbraw/zinc/89/06/61/895890661.db2.gz SYEBGWXOUZCIQE-CYBMUJFWSA-N 2 2 251.374 0.540 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001483710066 895890672 /nfs/dbraw/zinc/89/06/72/895890672.db2.gz SYEBGWXOUZCIQE-CYBMUJFWSA-N 2 2 251.374 0.540 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001483710066 895890681 /nfs/dbraw/zinc/89/06/81/895890681.db2.gz SYEBGWXOUZCIQE-CYBMUJFWSA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001484379983 896371428 /nfs/dbraw/zinc/37/14/28/896371428.db2.gz JENQASBPIRGCAT-OLZOCXBDSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001485106294 896784842 /nfs/dbraw/zinc/78/48/42/896784842.db2.gz ZKGMURYPZFCUMN-IYXRBSQSSA-N 2 2 274.368 0.952 20 30 CCEDLP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001485218359 896858359 /nfs/dbraw/zinc/85/83/59/896858359.db2.gz YBKUGPAAWAWMPX-NWDGAFQWSA-N 2 2 262.357 0.469 20 30 CCEDLP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485206409 896862484 /nfs/dbraw/zinc/86/24/84/896862484.db2.gz AMOMHIMSNCDJSD-VXGBXAGGSA-N 2 2 278.356 0.085 20 30 CCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001279169884 897542378 /nfs/dbraw/zinc/54/23/78/897542378.db2.gz KLLYQZDZZGEALM-NEPJUHHUSA-N 2 2 260.341 0.270 20 30 CCEDLP C#CCN1CC[C@]2(CCC[N@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272808754 897770172 /nfs/dbraw/zinc/77/01/72/897770172.db2.gz SEKHPHOJHXEMOE-MRXNPFEDSA-N 2 2 284.363 0.694 20 30 CCEDLP C#CCN1CC[C@]2(CCC[N@@H+]2Cc2c[nH+]ccc2N)C1=O ZINC001272808754 897770184 /nfs/dbraw/zinc/77/01/84/897770184.db2.gz SEKHPHOJHXEMOE-MRXNPFEDSA-N 2 2 284.363 0.694 20 30 CCEDLP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001486139155 898682711 /nfs/dbraw/zinc/68/27/11/898682711.db2.gz ZMQMOLDEEKWEDV-UONOGXRCSA-N 2 2 290.367 0.112 20 30 CCEDLP CC#CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)CCOC ZINC001486433063 898873598 /nfs/dbraw/zinc/87/35/98/898873598.db2.gz MLPOUUVOVWXIKF-UHFFFAOYSA-N 2 2 292.383 0.279 20 30 CCEDLP CC#CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)CCOC ZINC001486433063 898873607 /nfs/dbraw/zinc/87/36/07/898873607.db2.gz MLPOUUVOVWXIKF-UHFFFAOYSA-N 2 2 292.383 0.279 20 30 CCEDLP C#CC[NH2+][C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001491463693 903608060 /nfs/dbraw/zinc/60/80/60/903608060.db2.gz PVRMJMGZLGTVBH-GFCCVEGCSA-N 2 2 274.368 0.489 20 30 CCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001281450565 903912041 /nfs/dbraw/zinc/91/20/41/903912041.db2.gz LUYKQZQDIZOYGG-JSGCOSHPSA-N 2 2 290.367 0.039 20 30 CCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001281750860 904342977 /nfs/dbraw/zinc/34/29/77/904342977.db2.gz GLGNAQJETXXZOO-RYUDHWBXSA-N 2 2 262.357 0.706 20 30 CCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001281750860 904342988 /nfs/dbraw/zinc/34/29/88/904342988.db2.gz GLGNAQJETXXZOO-RYUDHWBXSA-N 2 2 262.357 0.706 20 30 CCEDLP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001282215503 904434718 /nfs/dbraw/zinc/43/47/18/904434718.db2.gz BENKGUDWNMPYMT-GHMZBOCLSA-N 2 2 250.346 0.631 20 30 CCEDLP C#CCC[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284812793 905435704 /nfs/dbraw/zinc/43/57/04/905435704.db2.gz FVSYNKCUJSKGHW-UHFFFAOYSA-N 2 2 260.341 0.555 20 30 CCEDLP CC#CC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317167815 909021184 /nfs/dbraw/zinc/02/11/84/909021184.db2.gz SLKHBRNPAFZYFG-CQSZACIVSA-N 2 2 274.368 0.735 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001319210393 910040086 /nfs/dbraw/zinc/04/00/86/910040086.db2.gz YFEMFFQOTYOORP-UONOGXRCSA-N 2 2 288.395 0.811 20 30 CCEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001330621967 916748149 /nfs/dbraw/zinc/74/81/49/916748149.db2.gz MQNMJCJWGJPSQC-IHRRRGAJSA-N 2 2 286.379 0.563 20 30 CCEDLP C#CC[N@@H+](C[C@H](C)O)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001330722604 916813530 /nfs/dbraw/zinc/81/35/30/916813530.db2.gz ZJYGCSHTRKRYGX-OLZOCXBDSA-N 2 2 254.374 0.148 20 30 CCEDLP C#CC[N@H+](C[C@H](C)O)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001330722604 916813548 /nfs/dbraw/zinc/81/35/48/916813548.db2.gz ZJYGCSHTRKRYGX-OLZOCXBDSA-N 2 2 254.374 0.148 20 30 CCEDLP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001331996086 917788518 /nfs/dbraw/zinc/78/85/18/917788518.db2.gz LTGOXBQXKJKAIN-GXTWGEPZSA-N 2 2 274.368 0.945 20 30 CCEDLP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001331996086 917788532 /nfs/dbraw/zinc/78/85/32/917788532.db2.gz LTGOXBQXKJKAIN-GXTWGEPZSA-N 2 2 274.368 0.945 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001331996089 917789270 /nfs/dbraw/zinc/78/92/70/917789270.db2.gz LTGOXBQXKJKAIN-OCCSQVGLSA-N 2 2 274.368 0.945 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001331996089 917789278 /nfs/dbraw/zinc/78/92/78/917789278.db2.gz LTGOXBQXKJKAIN-OCCSQVGLSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001332048414 917824091 /nfs/dbraw/zinc/82/40/91/917824091.db2.gz MENOSJYHBMLGCY-WCQYABFASA-N 2 2 274.368 0.863 20 30 CCEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001332529031 918255647 /nfs/dbraw/zinc/25/56/47/918255647.db2.gz LKGLAJWSVPNGDT-LBPRGKRZSA-N 2 2 286.335 0.219 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccn2)CC1 ZINC001335411910 920180524 /nfs/dbraw/zinc/18/05/24/920180524.db2.gz KJZDXBKYLLXFED-HNNXBMFYSA-N 2 2 259.353 0.802 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC001340065472 921941712 /nfs/dbraw/zinc/94/17/12/921941712.db2.gz ZEMJFYJVXTUUFY-CYBMUJFWSA-N 2 2 283.416 0.897 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC001340065472 921941724 /nfs/dbraw/zinc/94/17/24/921941724.db2.gz ZEMJFYJVXTUUFY-CYBMUJFWSA-N 2 2 283.416 0.897 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC001341697903 922635354 /nfs/dbraw/zinc/63/53/54/922635354.db2.gz VTTJNGKKYQWTHM-ZDUSSCGKSA-N 2 2 283.416 0.897 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001341697903 922635361 /nfs/dbraw/zinc/63/53/61/922635361.db2.gz VTTJNGKKYQWTHM-ZDUSSCGKSA-N 2 2 283.416 0.897 20 30 CCEDLP C=CCCOCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342549991 922999996 /nfs/dbraw/zinc/99/99/96/922999996.db2.gz YOISCRPIWAPEIG-UHFFFAOYSA-N 2 2 255.362 0.118 20 30 CCEDLP C=CCCO[C@H](C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001344708168 923671523 /nfs/dbraw/zinc/67/15/23/923671523.db2.gz IMTIBKWATOVYEM-GFCCVEGCSA-N 2 2 269.389 0.507 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCc1coc(C[NH+](C)C)n1 ZINC001350739344 925267506 /nfs/dbraw/zinc/26/75/06/925267506.db2.gz MAURJLLCLKNIJC-UHFFFAOYSA-N 2 2 280.372 0.860 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001357124826 926485933 /nfs/dbraw/zinc/48/59/33/926485933.db2.gz CIILZSWAASARRI-CYBMUJFWSA-N 2 2 251.374 0.588 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CCC[N@H+](C(C)C)C1 ZINC001357124826 926485939 /nfs/dbraw/zinc/48/59/39/926485939.db2.gz CIILZSWAASARRI-CYBMUJFWSA-N 2 2 251.374 0.588 20 30 CCEDLP CNC(=O)C[NH+]1CCC(Nc2cc(C)[nH+]cc2C#N)CC1 ZINC000425205898 529861558 /nfs/dbraw/zinc/86/15/58/529861558.db2.gz JRRPPNGYRJKAPF-UHFFFAOYSA-N 2 2 287.367 0.306 20 30 CCEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccnc(C#N)c1 ZINC000602989308 362924719 /nfs/dbraw/zinc/92/47/19/362924719.db2.gz KSNXFWNLKGEEQV-UHFFFAOYSA-N 2 2 287.367 0.159 20 30 CCEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccnc(C#N)c1 ZINC000602989308 362924721 /nfs/dbraw/zinc/92/47/21/362924721.db2.gz KSNXFWNLKGEEQV-UHFFFAOYSA-N 2 2 287.367 0.159 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000618566872 366049228 /nfs/dbraw/zinc/04/92/28/366049228.db2.gz NGTKKWJVDQCVIG-STQMWFEESA-N 2 2 264.373 0.432 20 30 CCEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000311561825 354201588 /nfs/dbraw/zinc/20/15/88/354201588.db2.gz KVQAMMMNAXZIDV-ZDUSSCGKSA-N 2 2 269.389 0.551 20 30 CCEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000311561825 354201592 /nfs/dbraw/zinc/20/15/92/354201592.db2.gz KVQAMMMNAXZIDV-ZDUSSCGKSA-N 2 2 269.389 0.551 20 30 CCEDLP C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000610427503 363557466 /nfs/dbraw/zinc/55/74/66/363557466.db2.gz FSQHKKWNKZXSIH-JSGCOSHPSA-N 2 2 278.400 0.773 20 30 CCEDLP C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000610427503 363557472 /nfs/dbraw/zinc/55/74/72/363557472.db2.gz FSQHKKWNKZXSIH-JSGCOSHPSA-N 2 2 278.400 0.773 20 30 CCEDLP C=C[C@@H](C(=O)OC)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000619720019 366340741 /nfs/dbraw/zinc/34/07/41/366340741.db2.gz UCEQPHOUYYFEOB-ZDUSSCGKSA-N 2 2 269.389 0.283 20 30 CCEDLP C=C[C@@H](C(=O)OC)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000619720019 366340747 /nfs/dbraw/zinc/34/07/47/366340747.db2.gz UCEQPHOUYYFEOB-ZDUSSCGKSA-N 2 2 269.389 0.283 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000490778321 358290715 /nfs/dbraw/zinc/29/07/15/358290715.db2.gz DFZAIFQJWRVZJB-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000490778321 358290721 /nfs/dbraw/zinc/29/07/21/358290721.db2.gz DFZAIFQJWRVZJB-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565657860 358565432 /nfs/dbraw/zinc/56/54/32/358565432.db2.gz DLBILPMJOSLBSL-SWLSCSKDSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565657860 358565434 /nfs/dbraw/zinc/56/54/34/358565434.db2.gz DLBILPMJOSLBSL-SWLSCSKDSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000584788709 359208344 /nfs/dbraw/zinc/20/83/44/359208344.db2.gz OYGLVXLTZBRROZ-STQMWFEESA-N 2 2 274.368 0.996 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000584788709 359208353 /nfs/dbraw/zinc/20/83/53/359208353.db2.gz OYGLVXLTZBRROZ-STQMWFEESA-N 2 2 274.368 0.996 20 30 CCEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000611386497 363712047 /nfs/dbraw/zinc/71/20/47/363712047.db2.gz LGYWTEHFHRZHPZ-CYBMUJFWSA-N 2 2 286.379 0.983 20 30 CCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437850 360306652 /nfs/dbraw/zinc/30/66/52/360306652.db2.gz LANSSUNIWQAEKN-ZDUSSCGKSA-N 2 2 296.415 0.625 20 30 CCEDLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437850 360306658 /nfs/dbraw/zinc/30/66/58/360306658.db2.gz LANSSUNIWQAEKN-ZDUSSCGKSA-N 2 2 296.415 0.625 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595834667 360673702 /nfs/dbraw/zinc/67/37/02/360673702.db2.gz NGQZDGXLPPOTJG-ZFWWWQNUSA-N 2 2 278.400 0.775 20 30 CCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595834667 360673705 /nfs/dbraw/zinc/67/37/05/360673705.db2.gz NGQZDGXLPPOTJG-ZFWWWQNUSA-N 2 2 278.400 0.775 20 30 CCEDLP N#Cc1ccccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000598681178 361480727 /nfs/dbraw/zinc/48/07/27/361480727.db2.gz FSORDUJSYAJVBF-KBPBESRZSA-N 2 2 270.336 0.302 20 30 CCEDLP N#Cc1ccccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000598681178 361480728 /nfs/dbraw/zinc/48/07/28/361480728.db2.gz FSORDUJSYAJVBF-KBPBESRZSA-N 2 2 270.336 0.302 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000615778105 365086616 /nfs/dbraw/zinc/08/66/16/365086616.db2.gz NASPEOGSIYFZMY-WOPDTQHZSA-N 2 2 262.357 0.089 20 30 CCEDLP CC#CC[NH2+]Cc1cn(C[C@H](O)C[N@H+](C)C(C)C)nn1 ZINC000641224161 376918842 /nfs/dbraw/zinc/91/88/42/376918842.db2.gz UKAAXGZTZUZATK-CQSZACIVSA-N 2 2 279.388 0.092 20 30 CCEDLP CC#CC[NH2+]Cc1cn(C[C@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000641224161 376918849 /nfs/dbraw/zinc/91/88/49/376918849.db2.gz UKAAXGZTZUZATK-CQSZACIVSA-N 2 2 279.388 0.092 20 30 CCEDLP C=CCCS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071375 412883272 /nfs/dbraw/zinc/88/32/72/412883272.db2.gz MBXUYURAFZRGGI-ZDUSSCGKSA-N 2 2 291.461 0.754 20 30 CCEDLP C=CCCS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071375 412883274 /nfs/dbraw/zinc/88/32/74/412883274.db2.gz MBXUYURAFZRGGI-ZDUSSCGKSA-N 2 2 291.461 0.754 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283383493 388764608 /nfs/dbraw/zinc/76/46/08/388764608.db2.gz FXLSGKUAHAWIOH-SNAWJCMRSA-N 2 2 258.325 0.590 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072860194 388972294 /nfs/dbraw/zinc/97/22/94/388972294.db2.gz PXPAHISDLOWFOB-GFCCVEGCSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072860194 388972295 /nfs/dbraw/zinc/97/22/95/388972295.db2.gz PXPAHISDLOWFOB-GFCCVEGCSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072860194 388972296 /nfs/dbraw/zinc/97/22/96/388972296.db2.gz PXPAHISDLOWFOB-GFCCVEGCSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072860194 388972299 /nfs/dbraw/zinc/97/22/99/388972299.db2.gz PXPAHISDLOWFOB-GFCCVEGCSA-N 2 2 282.388 0.272 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000293679885 388986700 /nfs/dbraw/zinc/98/67/00/388986700.db2.gz AVOVQYLXDQBGIC-KGLIPLIRSA-N 2 2 274.368 0.906 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000293679885 388986704 /nfs/dbraw/zinc/98/67/04/388986704.db2.gz AVOVQYLXDQBGIC-KGLIPLIRSA-N 2 2 274.368 0.906 20 30 CCEDLP C[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247783054 389242584 /nfs/dbraw/zinc/24/25/84/389242584.db2.gz XWYKBOUALBCSIM-NWDGAFQWSA-N 2 2 261.329 0.406 20 30 CCEDLP C[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247783054 389242590 /nfs/dbraw/zinc/24/25/90/389242590.db2.gz XWYKBOUALBCSIM-NWDGAFQWSA-N 2 2 261.329 0.406 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519043 389218276 /nfs/dbraw/zinc/21/82/76/389218276.db2.gz MIMHFLFFNSOKPH-UHFFFAOYSA-N 2 2 290.367 0.514 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246554896 389230018 /nfs/dbraw/zinc/23/00/18/389230018.db2.gz DQWQSMRFAPFBMI-GJZGRUSLSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246554896 389230022 /nfs/dbraw/zinc/23/00/22/389230022.db2.gz DQWQSMRFAPFBMI-GJZGRUSLSA-N 2 2 295.427 0.721 20 30 CCEDLP CC[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1ccon1 ZINC000261804028 389277091 /nfs/dbraw/zinc/27/70/91/389277091.db2.gz RTPLSUUHRTUJMF-ZDUSSCGKSA-N 2 2 295.387 0.403 20 30 CCEDLP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1ccon1 ZINC000261804028 389277094 /nfs/dbraw/zinc/27/70/94/389277094.db2.gz RTPLSUUHRTUJMF-ZDUSSCGKSA-N 2 2 295.387 0.403 20 30 CCEDLP CN(C)C(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000170911837 389468829 /nfs/dbraw/zinc/46/88/29/389468829.db2.gz ZQKYHMHNDQPFNF-UHFFFAOYSA-N 2 2 276.384 0.895 20 30 CCEDLP C#CC[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000271156638 389438803 /nfs/dbraw/zinc/43/88/03/389438803.db2.gz VZFQTUDTARMJSA-UHFFFAOYSA-N 2 2 273.384 0.684 20 30 CCEDLP C#CC[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000271156638 389438808 /nfs/dbraw/zinc/43/88/08/389438808.db2.gz VZFQTUDTARMJSA-UHFFFAOYSA-N 2 2 273.384 0.684 20 30 CCEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000442785768 389862967 /nfs/dbraw/zinc/86/29/67/389862967.db2.gz AAZAVDGHIPPEMY-JHJVBQTASA-N 2 2 264.373 0.608 20 30 CCEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000442785768 389862970 /nfs/dbraw/zinc/86/29/70/389862970.db2.gz AAZAVDGHIPPEMY-JHJVBQTASA-N 2 2 264.373 0.608 20 30 CCEDLP C=C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000568997860 390715569 /nfs/dbraw/zinc/71/55/69/390715569.db2.gz ZXIPAFFYRJSBHA-UONOGXRCSA-N 2 2 256.390 0.966 20 30 CCEDLP C=C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000568997860 390715570 /nfs/dbraw/zinc/71/55/70/390715570.db2.gz ZXIPAFFYRJSBHA-UONOGXRCSA-N 2 2 256.390 0.966 20 30 CCEDLP C=C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000568997860 390715571 /nfs/dbraw/zinc/71/55/71/390715571.db2.gz ZXIPAFFYRJSBHA-UONOGXRCSA-N 2 2 256.390 0.966 20 30 CCEDLP C=C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000568997860 390715572 /nfs/dbraw/zinc/71/55/72/390715572.db2.gz ZXIPAFFYRJSBHA-UONOGXRCSA-N 2 2 256.390 0.966 20 30 CCEDLP CC[N@H+](CCO)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191612623 130263128 /nfs/dbraw/zinc/26/31/28/130263128.db2.gz JAOQLYFDYUMXTO-UHFFFAOYSA-N 2 2 250.346 0.301 20 30 CCEDLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191612623 130263130 /nfs/dbraw/zinc/26/31/30/130263130.db2.gz JAOQLYFDYUMXTO-UHFFFAOYSA-N 2 2 250.346 0.301 20 30 CCEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000552096567 286152637 /nfs/dbraw/zinc/15/26/37/286152637.db2.gz FLWXIJFSLMXLBA-JQWIXIFHSA-N 2 2 260.345 0.222 20 30 CCEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000552096567 286152638 /nfs/dbraw/zinc/15/26/38/286152638.db2.gz FLWXIJFSLMXLBA-JQWIXIFHSA-N 2 2 260.345 0.222 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000653644648 412329577 /nfs/dbraw/zinc/32/95/77/412329577.db2.gz CIJCJYYQCIXNQF-LBPRGKRZSA-N 2 2 275.356 0.319 20 30 CCEDLP C=CC[C@@]1(C(=O)N(C)CC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662788898 414794826 /nfs/dbraw/zinc/79/48/26/414794826.db2.gz QGTHGXYUJMKKQH-HNNXBMFYSA-N 2 2 281.400 0.475 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663360488 415049651 /nfs/dbraw/zinc/04/96/51/415049651.db2.gz PMJTWPOXLALTPV-UHFFFAOYSA-N 2 2 299.378 0.987 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663303712 415040910 /nfs/dbraw/zinc/04/09/10/415040910.db2.gz JOHOQYWRAXUWGB-TZMCWYRMSA-N 2 2 281.400 0.520 20 30 CCEDLP CNC(NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1)=[NH+]C ZINC000161503156 261248051 /nfs/dbraw/zinc/24/80/51/261248051.db2.gz LNSIRZFYMVUSNT-AWEZNQCLSA-N 2 2 289.427 0.992 20 30 CCEDLP C[N@H+](CCO)C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000331066141 264112223 /nfs/dbraw/zinc/11/22/23/264112223.db2.gz FUALNQUHKUFRGQ-UHFFFAOYSA-N 2 2 295.387 0.186 20 30 CCEDLP C[N@@H+](CCO)C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000331066141 264112224 /nfs/dbraw/zinc/11/22/24/264112224.db2.gz FUALNQUHKUFRGQ-UHFFFAOYSA-N 2 2 295.387 0.186 20 30 CCEDLP N#CCCC[C@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000563065288 327866263 /nfs/dbraw/zinc/86/62/63/327866263.db2.gz AHVINEIVXQBPTJ-NSHDSACASA-N 2 2 261.329 0.631 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261573979 327384854 /nfs/dbraw/zinc/38/48/54/327384854.db2.gz AXOITKKIRIXXBL-HNNXBMFYSA-N 2 2 263.385 0.872 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261573979 327384856 /nfs/dbraw/zinc/38/48/56/327384856.db2.gz AXOITKKIRIXXBL-HNNXBMFYSA-N 2 2 263.385 0.872 20 30 CCEDLP CC[C@@H](C)NC(=[NH2+])NCC[N@@H+]1CCOCC1(C)C ZINC000171413339 329075550 /nfs/dbraw/zinc/07/55/50/329075550.db2.gz SHBGTWSAHPJWBT-LLVKDONJSA-N 2 2 256.394 0.800 20 30 CCEDLP CC[C@@H](C)NC(=[NH2+])NCC[N@H+]1CCOCC1(C)C ZINC000171413339 329075551 /nfs/dbraw/zinc/07/55/51/329075551.db2.gz SHBGTWSAHPJWBT-LLVKDONJSA-N 2 2 256.394 0.800 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC[C@@H]1CCCO1 ZINC000262467675 330015121 /nfs/dbraw/zinc/01/51/21/330015121.db2.gz TYJBGTKOYJRNAQ-LBPRGKRZSA-N 2 2 286.445 0.379 20 30 CCEDLP C#CCNC(NCC[N@@H+]1CCOCC1(C)C)=[NH+]CC ZINC000262643130 330024291 /nfs/dbraw/zinc/02/42/91/330024291.db2.gz QBRAYDCFRRLAKH-UHFFFAOYSA-N 2 2 266.389 0.286 20 30 CCEDLP C#CCNC(NCC[N@H+]1CCOCC1(C)C)=[NH+]CC ZINC000262643130 330024293 /nfs/dbraw/zinc/02/42/93/330024293.db2.gz QBRAYDCFRRLAKH-UHFFFAOYSA-N 2 2 266.389 0.286 20 30 CCEDLP C[C@H]1C[NH+]=C(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)N1 ZINC000262669181 330025768 /nfs/dbraw/zinc/02/57/68/330025768.db2.gz QFEXMICNFNGJDH-AWEZNQCLSA-N 3 2 293.459 0.874 20 30 CCEDLP CC(C)(CNC(=[NH2+])NCC1CCC1)[NH+]1CCOCC1 ZINC000263267648 330051105 /nfs/dbraw/zinc/05/11/05/330051105.db2.gz VRRDHALSNBCLNY-UHFFFAOYSA-N 2 2 268.405 0.802 20 30 CCEDLP C=CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000270679682 330076660 /nfs/dbraw/zinc/07/66/60/330076660.db2.gz UKRAFXYKSWIUQV-ZDUSSCGKSA-N 2 2 283.397 0.867 20 30 CCEDLP C=CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000270679682 330076661 /nfs/dbraw/zinc/07/66/61/330076661.db2.gz UKRAFXYKSWIUQV-ZDUSSCGKSA-N 2 2 283.397 0.867 20 30 CCEDLP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000424157106 330304587 /nfs/dbraw/zinc/30/45/87/330304587.db2.gz PFBAXEJSQIHNQI-RWMBFGLXSA-N 2 2 282.388 0.233 20 30 CCEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nn1 ZINC000424368640 330348031 /nfs/dbraw/zinc/34/80/31/330348031.db2.gz BNQCLHNYRIQMIO-RBSFLKMASA-N 2 2 291.399 0.711 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)O[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000490714718 332107744 /nfs/dbraw/zinc/10/77/44/332107744.db2.gz QLGJMFZDBADEBD-CQSZACIVSA-N 2 2 294.395 0.596 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H](C)[C@@H]2C)CC1 ZINC000490760466 332112996 /nfs/dbraw/zinc/11/29/96/332112996.db2.gz LVIUOUBJLACKQG-UONOGXRCSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H](C)[C@@H]2C)CC1 ZINC000490760466 332112997 /nfs/dbraw/zinc/11/29/97/332112997.db2.gz LVIUOUBJLACKQG-UONOGXRCSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC2CC2)C(C)C)CC1 ZINC000490841285 332119545 /nfs/dbraw/zinc/11/95/45/332119545.db2.gz SSTSEOCRZNJVTO-UHFFFAOYSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC2CC2)C(C)C)CC1 ZINC000490841285 332119546 /nfs/dbraw/zinc/11/95/46/332119546.db2.gz SSTSEOCRZNJVTO-UHFFFAOYSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](COC)C(C)C)CC1 ZINC000490950891 332132686 /nfs/dbraw/zinc/13/26/86/332132686.db2.gz UUXFXVUOIIUDRQ-CQSZACIVSA-N 2 2 281.400 0.024 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000491800808 332355185 /nfs/dbraw/zinc/35/51/85/332355185.db2.gz ASURIAFVAZYFHD-UHFFFAOYSA-N 2 2 270.336 0.606 20 30 CCEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC#N)[C@H](C)C1 ZINC000081096777 334178291 /nfs/dbraw/zinc/17/82/91/334178291.db2.gz AZTZNBZSULNZNK-VXGBXAGGSA-N 2 2 252.362 0.288 20 30 CCEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC#N)[C@H](C)C1 ZINC000081096777 334178292 /nfs/dbraw/zinc/17/82/92/334178292.db2.gz AZTZNBZSULNZNK-VXGBXAGGSA-N 2 2 252.362 0.288 20 30 CCEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC#N)[C@H](C)C1 ZINC000081096777 334178293 /nfs/dbraw/zinc/17/82/93/334178293.db2.gz AZTZNBZSULNZNK-VXGBXAGGSA-N 2 2 252.362 0.288 20 30 CCEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)[C@H](C)C1 ZINC000081096777 334178295 /nfs/dbraw/zinc/17/82/95/334178295.db2.gz AZTZNBZSULNZNK-VXGBXAGGSA-N 2 2 252.362 0.288 20 30 CCEDLP N#C[C@H]1CC[C@@H]([NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000549405437 334192788 /nfs/dbraw/zinc/19/27/88/334192788.db2.gz PYUDPEGGESZSOL-LSDHHAIUSA-N 2 2 290.411 0.919 20 30 CCEDLP Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C#N)c[nH+]1 ZINC000581067967 336003238 /nfs/dbraw/zinc/00/32/38/336003238.db2.gz SYMXKGGUMQEXMJ-OKILXGFUSA-N 2 2 272.352 0.959 20 30 CCEDLP Cc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C#N)c[nH+]1 ZINC000581067967 336003239 /nfs/dbraw/zinc/00/32/39/336003239.db2.gz SYMXKGGUMQEXMJ-OKILXGFUSA-N 2 2 272.352 0.959 20 30 CCEDLP C=CCCOCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674001485 545298308 /nfs/dbraw/zinc/29/83/08/545298308.db2.gz OMZCAMMJHYVQRT-UHFFFAOYSA-N 2 2 283.416 0.721 20 30 CCEDLP COCC#CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000679374626 545408199 /nfs/dbraw/zinc/40/81/99/545408199.db2.gz IQNWUFYPJUWOTL-SJPCQFCGSA-N 2 2 291.439 0.879 20 30 CCEDLP COCC#CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000679374626 545408200 /nfs/dbraw/zinc/40/82/00/545408200.db2.gz IQNWUFYPJUWOTL-SJPCQFCGSA-N 2 2 291.439 0.879 20 30 CCEDLP COCC#CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000679374626 545408201 /nfs/dbraw/zinc/40/82/01/545408201.db2.gz IQNWUFYPJUWOTL-SJPCQFCGSA-N 2 2 291.439 0.879 20 30 CCEDLP COCC#CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000679374626 545408202 /nfs/dbraw/zinc/40/82/02/545408202.db2.gz IQNWUFYPJUWOTL-SJPCQFCGSA-N 2 2 291.439 0.879 20 30 CCEDLP C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000753150204 581529297 /nfs/dbraw/zinc/52/92/97/581529297.db2.gz PHZMNEJXDIXZGX-ZIAGYGMSSA-N 2 2 292.427 0.866 20 30 CCEDLP C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000753150204 581529298 /nfs/dbraw/zinc/52/92/98/581529298.db2.gz PHZMNEJXDIXZGX-ZIAGYGMSSA-N 2 2 292.427 0.866 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000753821421 581559405 /nfs/dbraw/zinc/55/94/05/581559405.db2.gz ZKPOGZNIYSHRMU-UHFFFAOYSA-N 2 2 263.385 0.496 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000730283476 581690763 /nfs/dbraw/zinc/69/07/63/581690763.db2.gz PURNSMHOTUGMNP-AWEZNQCLSA-N 2 2 261.369 0.391 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000730283476 581690764 /nfs/dbraw/zinc/69/07/64/581690764.db2.gz PURNSMHOTUGMNP-AWEZNQCLSA-N 2 2 261.369 0.391 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732166005 581807502 /nfs/dbraw/zinc/80/75/02/581807502.db2.gz LCYLIVSTHAQNBG-CABCVRRESA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732166005 581807504 /nfs/dbraw/zinc/80/75/04/581807504.db2.gz LCYLIVSTHAQNBG-CABCVRRESA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000732166005 581807506 /nfs/dbraw/zinc/80/75/06/581807506.db2.gz LCYLIVSTHAQNBG-CABCVRRESA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000732166005 581807508 /nfs/dbraw/zinc/80/75/08/581807508.db2.gz LCYLIVSTHAQNBG-CABCVRRESA-N 2 2 275.396 0.779 20 30 CCEDLP C#CCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000743493400 581814479 /nfs/dbraw/zinc/81/44/79/581814479.db2.gz QUAXNKXXLZGIJF-UHFFFAOYSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C 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0.730 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000970401980 612964375 /nfs/dbraw/zinc/96/43/75/612964375.db2.gz GDDJQOZBROZRRB-CYBMUJFWSA-N 2 2 295.346 0.705 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947759251 613026885 /nfs/dbraw/zinc/02/68/85/613026885.db2.gz ZSQIKTTXOBXRMZ-OLZOCXBDSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947759251 613026886 /nfs/dbraw/zinc/02/68/86/613026886.db2.gz ZSQIKTTXOBXRMZ-OLZOCXBDSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC000886577680 613066542 /nfs/dbraw/zinc/06/65/42/613066542.db2.gz SGBZCRAZAMSSDQ-UHFFFAOYSA-N 2 2 274.368 0.519 20 30 CCEDLP C#Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc1 ZINC000855416961 613178220 /nfs/dbraw/zinc/17/82/20/613178220.db2.gz RGVOLJSUPKXAJH-UHFFFAOYSA-N 2 2 288.395 0.676 20 30 CCEDLP C#Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nc1 ZINC000855416961 613178222 /nfs/dbraw/zinc/17/82/22/613178222.db2.gz RGVOLJSUPKXAJH-UHFFFAOYSA-N 2 2 288.395 0.676 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944079063 613261236 /nfs/dbraw/zinc/26/12/36/613261236.db2.gz JGRAIENXMSNDDP-OCCSQVGLSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944079063 613261238 /nfs/dbraw/zinc/26/12/38/613261238.db2.gz JGRAIENXMSNDDP-OCCSQVGLSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648659 613262768 /nfs/dbraw/zinc/26/27/68/613262768.db2.gz GNHKRGKVMPGCQX-KBPBESRZSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648659 613262770 /nfs/dbraw/zinc/26/27/70/613262770.db2.gz GNHKRGKVMPGCQX-KBPBESRZSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648659 613262771 /nfs/dbraw/zinc/26/27/71/613262771.db2.gz GNHKRGKVMPGCQX-KBPBESRZSA-N 2 2 293.411 0.167 20 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297.399 0.281 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000884371422 613878702 /nfs/dbraw/zinc/87/87/02/613878702.db2.gz NCULBRUSRRCYHQ-RYUDHWBXSA-N 2 2 295.383 0.224 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000884376696 613878842 /nfs/dbraw/zinc/87/88/42/613878842.db2.gz OSFHNWOSOFLSRZ-RYUDHWBXSA-N 2 2 295.383 0.224 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000913519879 615860294 /nfs/dbraw/zinc/86/02/94/615860294.db2.gz SJTOBGHPCDTJOV-LBPRGKRZSA-N 2 2 260.341 0.127 20 30 CCEDLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]2C1 ZINC000931430750 616332805 /nfs/dbraw/zinc/33/28/05/616332805.db2.gz REFOCAGIDNLJEV-DVOMOZLQSA-N 2 2 290.411 0.678 20 30 CCEDLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]2C1 ZINC000931430750 616332809 /nfs/dbraw/zinc/33/28/09/616332809.db2.gz REFOCAGIDNLJEV-DVOMOZLQSA-N 2 2 290.411 0.678 20 30 CCEDLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]2C1 ZINC000931430750 616332813 /nfs/dbraw/zinc/33/28/13/616332813.db2.gz REFOCAGIDNLJEV-DVOMOZLQSA-N 2 2 290.411 0.678 20 30 CCEDLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C[C@@H]2C1 ZINC000931430750 616332818 /nfs/dbraw/zinc/33/28/18/616332818.db2.gz REFOCAGIDNLJEV-DVOMOZLQSA-N 2 2 290.411 0.678 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]12 ZINC001026410650 625437011 /nfs/dbraw/zinc/43/70/11/625437011.db2.gz MEYGQGXIQCRTAX-MGPQQGTHSA-N 2 2 286.379 0.720 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001022734071 622707843 /nfs/dbraw/zinc/70/78/43/622707843.db2.gz JKGKQLWBONGDNY-YVECIDJPSA-N 2 2 274.368 0.946 20 30 CCEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893931 631438225 /nfs/dbraw/zinc/43/82/25/631438225.db2.gz SMXIOAOCNIKENO-DGCLKSJQSA-N 2 2 259.357 0.953 20 30 CCEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])NC2CC2)C[C@H](C)O1 ZINC000261738572 631559834 /nfs/dbraw/zinc/55/98/34/631559834.db2.gz IGJZNFLHKNHZIC-PHIMTYICSA-N 2 2 268.405 0.941 20 30 CCEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])NC2CC2)C[C@H](C)O1 ZINC000261738572 631559842 /nfs/dbraw/zinc/55/98/42/631559842.db2.gz IGJZNFLHKNHZIC-PHIMTYICSA-N 2 2 268.405 0.941 20 30 CCEDLP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])NC2CC2)C[C@H](C)O1 ZINC000261738573 631560266 /nfs/dbraw/zinc/56/02/66/631560266.db2.gz IGJZNFLHKNHZIC-QWRGUYRKSA-N 2 2 268.405 0.941 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000986628189 632783668 /nfs/dbraw/zinc/78/36/68/632783668.db2.gz JPKAUJHWMWWVMA-OLZOCXBDSA-N 2 2 260.341 0.485 20 30 CCEDLP CC#CC[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989563342 633327756 /nfs/dbraw/zinc/32/77/56/633327756.db2.gz VYNFKDQZSZUGGL-UHFFFAOYSA-N 2 2 274.368 0.818 20 30 CCEDLP CC#CC[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989563342 633327760 /nfs/dbraw/zinc/32/77/60/633327760.db2.gz VYNFKDQZSZUGGL-UHFFFAOYSA-N 2 2 274.368 0.818 20 30 CCEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994508039 637955086 /nfs/dbraw/zinc/95/50/86/637955086.db2.gz PBPXZQKPCDCVAJ-ZIAGYGMSSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994508039 637955089 /nfs/dbraw/zinc/95/50/89/637955089.db2.gz PBPXZQKPCDCVAJ-ZIAGYGMSSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC000995923745 638804586 /nfs/dbraw/zinc/80/45/86/638804586.db2.gz NQAIEOUWORFHTE-BZPMIXESSA-N 2 2 286.379 0.973 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC000995923745 638804587 /nfs/dbraw/zinc/80/45/87/638804587.db2.gz NQAIEOUWORFHTE-BZPMIXESSA-N 2 2 286.379 0.973 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999314201 638973990 /nfs/dbraw/zinc/97/39/90/638973990.db2.gz CXCHZXPHVIUIJI-CYBMUJFWSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999314201 638973993 /nfs/dbraw/zinc/97/39/93/638973993.db2.gz CXCHZXPHVIUIJI-CYBMUJFWSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999555892 638985558 /nfs/dbraw/zinc/98/55/58/638985558.db2.gz GPDKHQUKUAPGEQ-GFCCVEGCSA-N 2 2 290.367 0.564 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001000798731 639168448 /nfs/dbraw/zinc/16/84/48/639168448.db2.gz UXDJBMJQGKSKJJ-LBPRGKRZSA-N 2 2 260.341 0.474 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015307606 650552410 /nfs/dbraw/zinc/55/24/10/650552410.db2.gz ROYKBTYZNVMYCV-ZDUSSCGKSA-N 2 2 286.379 0.586 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015307606 650552411 /nfs/dbraw/zinc/55/24/11/650552411.db2.gz ROYKBTYZNVMYCV-ZDUSSCGKSA-N 2 2 286.379 0.586 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016007857 650674777 /nfs/dbraw/zinc/67/47/77/650674777.db2.gz VXNHYRZWKMJOJN-ZDUSSCGKSA-N 2 2 286.379 0.975 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016007857 650674781 /nfs/dbraw/zinc/67/47/81/650674781.db2.gz VXNHYRZWKMJOJN-ZDUSSCGKSA-N 2 2 286.379 0.975 20 30 CCEDLP C#CC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000829779285 642192118 /nfs/dbraw/zinc/19/21/18/642192118.db2.gz QDHPPTORVFQLDA-AWEZNQCLSA-N 2 2 263.385 0.496 20 30 CCEDLP C#CC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000829779285 642192123 /nfs/dbraw/zinc/19/21/23/642192123.db2.gz QDHPPTORVFQLDA-AWEZNQCLSA-N 2 2 263.385 0.496 20 30 CCEDLP O=C(C#CC1CC[NH2+]CC1)NCCCCn1cc[nH+]c1 ZINC000852860975 644028913 /nfs/dbraw/zinc/02/89/13/644028913.db2.gz NMDFPELLPQAVEP-UHFFFAOYSA-N 2 2 274.368 0.783 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001020046047 651031735 /nfs/dbraw/zinc/03/17/35/651031735.db2.gz RXHZOPPUHJWJRV-IJLUTSLNSA-N 2 2 287.791 0.306 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001020046047 651031738 /nfs/dbraw/zinc/03/17/38/651031738.db2.gz RXHZOPPUHJWJRV-IJLUTSLNSA-N 2 2 287.791 0.306 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001020255282 651053138 /nfs/dbraw/zinc/05/31/38/651053138.db2.gz GSXMOWOHFNUHLA-DDHJBXDOSA-N 2 2 258.325 0.383 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001020255282 651053144 /nfs/dbraw/zinc/05/31/44/651053144.db2.gz GSXMOWOHFNUHLA-DDHJBXDOSA-N 2 2 258.325 0.383 20 30 CCEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC(F)(F)C[NH3+] ZINC000876808067 646672623 /nfs/dbraw/zinc/67/26/23/646672623.db2.gz DACOQATULFQXLK-GFCCVEGCSA-N 2 2 294.305 0.455 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193267 790558297 /nfs/dbraw/zinc/55/82/97/790558297.db2.gz IXPHSMNOYBFMOM-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193267 790558308 /nfs/dbraw/zinc/55/83/08/790558308.db2.gz IXPHSMNOYBFMOM-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193267 790558319 /nfs/dbraw/zinc/55/83/19/790558319.db2.gz IXPHSMNOYBFMOM-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193267 790558328 /nfs/dbraw/zinc/55/83/28/790558328.db2.gz IXPHSMNOYBFMOM-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266728262 791194615 /nfs/dbraw/zinc/19/46/15/791194615.db2.gz QPRMAMWVAACNPU-BETUJISGSA-N 2 2 292.383 0.700 20 30 CCEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001267049230 791479665 /nfs/dbraw/zinc/47/96/65/791479665.db2.gz BZGQQDXERXJFNA-CQSZACIVSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CC[N@H+](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267217211 791688132 /nfs/dbraw/zinc/68/81/32/791688132.db2.gz AXLCSPJELXFPNJ-CYBMUJFWSA-N 2 2 274.368 0.435 20 30 CCEDLP C#CC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267217211 791688135 /nfs/dbraw/zinc/68/81/35/791688135.db2.gz AXLCSPJELXFPNJ-CYBMUJFWSA-N 2 2 274.368 0.435 20 30 CCEDLP C#CCOc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235056138 806358870 /nfs/dbraw/zinc/35/88/70/806358870.db2.gz YUTGABVOKFZYDP-KRWDZBQOSA-N 2 2 285.391 0.836 20 30 CCEDLP C#CCOc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235056138 806358877 /nfs/dbraw/zinc/35/88/77/806358877.db2.gz YUTGABVOKFZYDP-KRWDZBQOSA-N 2 2 285.391 0.836 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589336 806465989 /nfs/dbraw/zinc/46/59/89/806465989.db2.gz RJVDBEFQFSLBNU-KBPBESRZSA-N 2 2 265.401 0.739 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589336 806465992 /nfs/dbraw/zinc/46/59/92/806465992.db2.gz RJVDBEFQFSLBNU-KBPBESRZSA-N 2 2 265.401 0.739 20 30 CCEDLP C#CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001121206513 799015143 /nfs/dbraw/zinc/01/51/43/799015143.db2.gz QTXZBTGTNNFZMT-UHFFFAOYSA-N 2 2 286.379 0.993 20 30 CCEDLP C#CC[NH2+]C1CC2(CC(NC(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001121206513 799015150 /nfs/dbraw/zinc/01/51/50/799015150.db2.gz QTXZBTGTNNFZMT-UHFFFAOYSA-N 2 2 286.379 0.993 20 30 CCEDLP N#Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1Cl ZINC001158204278 801592875 /nfs/dbraw/zinc/59/28/75/801592875.db2.gz UKPDJCJMMVMMSK-MRVPVSSYSA-N 2 2 277.715 0.654 20 30 CCEDLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1CC#N ZINC001158209336 801595657 /nfs/dbraw/zinc/59/56/57/801595657.db2.gz RGCBLQPZNMMZNF-GFCCVEGCSA-N 2 2 271.324 0.504 20 30 CCEDLP Cc1nc(C#N)cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158267720 801610429 /nfs/dbraw/zinc/61/04/29/801610429.db2.gz VJCYRBZUIGHMJP-GFCCVEGCSA-N 2 2 286.383 0.659 20 30 CCEDLP Cc1nc(C#N)cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158267720 801610434 /nfs/dbraw/zinc/61/04/34/801610434.db2.gz VJCYRBZUIGHMJP-GFCCVEGCSA-N 2 2 286.383 0.659 20 30 CCEDLP COc1ccnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1C#N ZINC001160512244 801956073 /nfs/dbraw/zinc/95/60/73/801956073.db2.gz VCUQINXKAFJSKG-OAHLLOKOSA-N 2 2 287.367 0.797 20 30 CCEDLP CCCCN(CC#N)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160728754 802011786 /nfs/dbraw/zinc/01/17/86/802011786.db2.gz GCRLEHFAXQWPLJ-WCQYABFASA-N 2 2 250.346 0.090 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001161387227 802144201 /nfs/dbraw/zinc/14/42/01/802144201.db2.gz PAJHTKAPEKWRJC-WFASDCNBSA-N 2 2 273.336 0.720 20 30 CCEDLP C[NH+]1CCN(CCCNc2cc[nH+]c(CC#N)c2)CC1 ZINC001161709486 802205344 /nfs/dbraw/zinc/20/53/44/802205344.db2.gz BBPOPCMTVACPKC-UHFFFAOYSA-N 2 2 273.384 0.619 20 30 CCEDLP CN1CC[NH+](CCCNc2cc[nH+]c(CC#N)c2)CC1 ZINC001161709486 802205362 /nfs/dbraw/zinc/20/53/62/802205362.db2.gz BBPOPCMTVACPKC-UHFFFAOYSA-N 2 2 273.384 0.619 20 30 CCEDLP CCc1nc(C#N)c(C#N)nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161872459 802237445 /nfs/dbraw/zinc/23/74/45/802237445.db2.gz CFTMLAXTXKLSRV-UHFFFAOYSA-N 2 2 299.382 0.617 20 30 CCEDLP C=CC[N@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001268255520 812420908 /nfs/dbraw/zinc/42/09/08/812420908.db2.gz GJKLZVLYVBILGO-UHFFFAOYSA-N 2 2 250.346 0.837 20 30 CCEDLP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203815165 803046574 /nfs/dbraw/zinc/04/65/74/803046574.db2.gz NKNFKXFACXYMND-KGLIPLIRSA-N 2 2 286.379 0.923 20 30 CCEDLP C[C@@H](C[NH3+])[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000402168539 803815180 /nfs/dbraw/zinc/81/51/80/803815180.db2.gz AOZSWJCAFBEEEA-AAEUAGOBSA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000402168539 803815189 /nfs/dbraw/zinc/81/51/89/803815189.db2.gz AOZSWJCAFBEEEA-AAEUAGOBSA-N 2 2 263.341 0.577 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052197 804187087 /nfs/dbraw/zinc/18/70/87/804187087.db2.gz KPDHNMHACRZLNQ-UONOGXRCSA-N 2 2 281.400 0.424 20 30 CCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219052197 804187090 /nfs/dbraw/zinc/18/70/90/804187090.db2.gz KPDHNMHACRZLNQ-UONOGXRCSA-N 2 2 281.400 0.424 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219052197 804187098 /nfs/dbraw/zinc/18/70/98/804187098.db2.gz KPDHNMHACRZLNQ-UONOGXRCSA-N 2 2 281.400 0.424 20 30 CCEDLP N#Cc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(C#N)c1 ZINC001219393999 804298102 /nfs/dbraw/zinc/29/81/02/804298102.db2.gz VBEHGCYDZDEQAR-KYOSRNDESA-N 2 2 281.319 0.590 20 30 CCEDLP C#CC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223419322 804970389 /nfs/dbraw/zinc/97/03/89/804970389.db2.gz KETLPVWSHUEUNA-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CC[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223419322 804970395 /nfs/dbraw/zinc/97/03/95/804970395.db2.gz KETLPVWSHUEUNA-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658570 815052057 /nfs/dbraw/zinc/05/20/57/815052057.db2.gz JBBCOVULENRPNE-APIJFGDWSA-N 2 2 293.411 0.308 20 30 CCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658570 815052061 /nfs/dbraw/zinc/05/20/61/815052061.db2.gz JBBCOVULENRPNE-APIJFGDWSA-N 2 2 293.411 0.308 20 30 CCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658570 815052064 /nfs/dbraw/zinc/05/20/64/815052064.db2.gz JBBCOVULENRPNE-APIJFGDWSA-N 2 2 293.411 0.308 20 30 CCEDLP CC#CC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227137657 805326468 /nfs/dbraw/zinc/32/64/68/805326468.db2.gz DDCSNFGPNAIRFB-UHFFFAOYSA-N 2 2 274.368 0.946 20 30 CCEDLP CC#CC[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001277334833 805482803 /nfs/dbraw/zinc/48/28/03/805482803.db2.gz BNMHXZQCGUBNGK-CYBMUJFWSA-N 2 2 276.384 0.860 20 30 CCEDLP C=C[C@@](C)(O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245988820 807108268 /nfs/dbraw/zinc/10/82/68/807108268.db2.gz WWACKAHIWGPGPE-CHWSQXEVSA-N 3 2 253.390 0.387 20 30 CCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001251851846 807719466 /nfs/dbraw/zinc/71/94/66/807719466.db2.gz UALBTWXWFGYOQJ-INIZCTEOSA-N 2 2 298.402 0.895 20 30 CCEDLP C=C[C@](C)(O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001252549958 807905875 /nfs/dbraw/zinc/90/58/75/807905875.db2.gz LFNQLUNOGOQHLE-HNNXBMFYSA-N 2 2 295.427 0.600 20 30 CCEDLP C=C[C@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001252549958 807905882 /nfs/dbraw/zinc/90/58/82/807905882.db2.gz LFNQLUNOGOQHLE-HNNXBMFYSA-N 2 2 295.427 0.600 20 30 CCEDLP C=CCC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252597772 807916960 /nfs/dbraw/zinc/91/69/60/807916960.db2.gz DBQLHDGQRZEKOB-RRFJBIMHSA-N 2 2 268.401 0.966 20 30 CCEDLP C=CCC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252597772 807916964 /nfs/dbraw/zinc/91/69/64/807916964.db2.gz DBQLHDGQRZEKOB-RRFJBIMHSA-N 2 2 268.401 0.966 20 30 CCEDLP C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252597772 807916967 /nfs/dbraw/zinc/91/69/67/807916967.db2.gz DBQLHDGQRZEKOB-RRFJBIMHSA-N 2 2 268.401 0.966 20 30 CCEDLP C=CCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252597772 807916971 /nfs/dbraw/zinc/91/69/71/807916971.db2.gz DBQLHDGQRZEKOB-RRFJBIMHSA-N 2 2 268.401 0.966 20 30 CCEDLP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001278848322 808328488 /nfs/dbraw/zinc/32/84/88/808328488.db2.gz FYLKHZMKKMLMRN-KGLIPLIRSA-N 2 2 295.427 0.598 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](C)COC)CC1 ZINC001262568778 809347967 /nfs/dbraw/zinc/34/79/67/809347967.db2.gz GKIVBNQIBDGJNW-DZGCQCFKSA-N 2 2 284.400 0.086 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001265685800 809826511 /nfs/dbraw/zinc/82/65/11/809826511.db2.gz DGIFHQRUJJZGAW-ZDUSSCGKSA-N 2 2 274.368 0.946 20 30 CCEDLP C=CC[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001265802723 809856835 /nfs/dbraw/zinc/85/68/35/809856835.db2.gz OOKPHODLIBNMOF-NSHDSACASA-N 2 2 250.346 0.633 20 30 CCEDLP C=CCC[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001265850840 809875625 /nfs/dbraw/zinc/87/56/25/809875625.db2.gz JJKIZVAFEXIBIC-NSHDSACASA-N 2 2 250.346 0.633 20 30 CCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114949516 811143665 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292.383 0.388 20 30 CCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001273300033 821575478 /nfs/dbraw/zinc/57/54/78/821575478.db2.gz JMYUPEZHWOXZTK-CYBMUJFWSA-N 2 2 278.356 0.276 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086124350 822121504 /nfs/dbraw/zinc/12/15/04/822121504.db2.gz OUDWWEIFLNVULH-MELADBBJSA-N 2 2 286.379 0.563 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086406632 822240304 /nfs/dbraw/zinc/24/03/04/822240304.db2.gz LKOODVHCBZKZCP-MGPQQGTHSA-N 2 2 286.379 0.563 20 30 CCEDLP C=C(Cl)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169200054 836158699 /nfs/dbraw/zinc/15/86/99/836158699.db2.gz VFSDAQZJXSUDCN-UHFFFAOYSA-N 2 2 256.737 0.801 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132458468 838403877 /nfs/dbraw/zinc/40/38/77/838403877.db2.gz UTBAIJYPNRBCDC-KBPBESRZSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[C@@H]1C ZINC001132458468 838403882 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C#CC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148893912 840900004 /nfs/dbraw/zinc/90/00/04/840900004.db2.gz VYBNEJIRBMDQTF-UHFFFAOYSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001148893912 840900007 /nfs/dbraw/zinc/90/00/07/840900007.db2.gz VYBNEJIRBMDQTF-UHFFFAOYSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001095240793 842123998 /nfs/dbraw/zinc/12/39/98/842123998.db2.gz DSHHZLFEGOLSBX-RFGFWPKPSA-N 2 2 261.369 0.435 20 30 CCEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001095240793 842124001 /nfs/dbraw/zinc/12/40/01/842124001.db2.gz DSHHZLFEGOLSBX-RFGFWPKPSA-N 2 2 261.369 0.435 20 30 CCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001095240793 842124005 /nfs/dbraw/zinc/12/40/05/842124005.db2.gz DSHHZLFEGOLSBX-RFGFWPKPSA-N 2 2 261.369 0.435 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177065343 842498383 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CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001485896120 898492171 /nfs/dbraw/zinc/49/21/71/898492171.db2.gz YDDLTPFZPVZMGQ-KGLIPLIRSA-N 2 2 288.395 0.905 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001486118683 898674531 /nfs/dbraw/zinc/67/45/31/898674531.db2.gz HIBQCJHUNHVWLU-KGLIPLIRSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001486124979 898678161 /nfs/dbraw/zinc/67/81/61/898678161.db2.gz BHCKOTWGGGAWDT-NWDGAFQWSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CCC[NH2+]C1CC(N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001486472236 898892892 /nfs/dbraw/zinc/89/28/92/898892892.db2.gz BUAMZZCZUIAXAN-UHFFFAOYSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001490911916 903215105 /nfs/dbraw/zinc/21/51/05/903215105.db2.gz MJSFMSDSUFLLMM-JOCQHMNTSA-N 2 2 274.368 0.613 20 30 CCEDLP C#CCC[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001281280142 904258728 /nfs/dbraw/zinc/25/87/28/904258728.db2.gz 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CCEDLP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317535539 909306937 /nfs/dbraw/zinc/30/69/37/909306937.db2.gz VURAZCJKXDYCBI-GFCCVEGCSA-N 2 2 262.357 0.966 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317535539 909306953 /nfs/dbraw/zinc/30/69/53/909306953.db2.gz VURAZCJKXDYCBI-GFCCVEGCSA-N 2 2 262.357 0.966 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001317753725 909480515 /nfs/dbraw/zinc/48/05/15/909480515.db2.gz IRYMJRVZIYQLKN-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001317753725 909480519 /nfs/dbraw/zinc/48/05/19/909480519.db2.gz IRYMJRVZIYQLKN-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317753725 909480522 /nfs/dbraw/zinc/48/05/22/909480522.db2.gz IRYMJRVZIYQLKN-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317753725 909480526 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C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320240637 910553041 /nfs/dbraw/zinc/55/30/41/910553041.db2.gz AZYZOMCGOOBTKA-QWHCGFSZSA-N 2 2 292.383 0.088 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001322352683 911772045 /nfs/dbraw/zinc/77/20/45/911772045.db2.gz BQFQVXUDYMLNBW-TZMCWYRMSA-N 2 2 274.368 0.850 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001339473781 921732309 /nfs/dbraw/zinc/73/23/09/921732309.db2.gz XKGNRZKZWREQFQ-RDBSUJKOSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001339473781 921732312 /nfs/dbraw/zinc/73/23/12/921732312.db2.gz XKGNRZKZWREQFQ-RDBSUJKOSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001339473781 921732317 /nfs/dbraw/zinc/73/23/17/921732317.db2.gz XKGNRZKZWREQFQ-RDBSUJKOSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](C)[C@H]2C1 ZINC001339473781 921732322 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C[NH+]1CCC(NC(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC001331096899 917085278 /nfs/dbraw/zinc/08/52/78/917085278.db2.gz CSSJARGYFBNWDN-UHFFFAOYSA-N 2 2 264.373 0.432 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001335843802 920475210 /nfs/dbraw/zinc/47/52/10/920475210.db2.gz RDWSPYBWYICANA-NEPJUHHUSA-N 2 2 283.372 0.034 20 30 CCEDLP C=C(CC)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336107109 920610780 /nfs/dbraw/zinc/61/07/80/920610780.db2.gz DMMVDBAVMRIBNP-UHFFFAOYSA-N 2 2 254.378 0.675 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001336799741 921018679 /nfs/dbraw/zinc/01/86/79/921018679.db2.gz MLCGQSFZBCPNNG-GFCCVEGCSA-N 2 2 251.374 0.588 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001336799741 921018689 /nfs/dbraw/zinc/01/86/89/921018689.db2.gz MLCGQSFZBCPNNG-GFCCVEGCSA-N 2 2 251.374 0.588 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001342217842 922862805 /nfs/dbraw/zinc/86/28/05/922862805.db2.gz 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268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261697993 352563207 /nfs/dbraw/zinc/56/32/07/352563207.db2.gz LJUQEYZLHABCOG-GXFFZTMASA-N 2 2 268.361 0.057 20 30 CCEDLP Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C#N ZINC000276953395 353213147 /nfs/dbraw/zinc/21/31/47/353213147.db2.gz KEHOEJJKUOPURE-CQSZACIVSA-N 2 2 262.357 0.443 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277107743 353224041 /nfs/dbraw/zinc/22/40/41/353224041.db2.gz GYHUZJSUGQJISB-STQMWFEESA-N 2 2 296.415 0.803 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277107743 353224044 /nfs/dbraw/zinc/22/40/44/353224044.db2.gz GYHUZJSUGQJISB-STQMWFEESA-N 2 2 296.415 0.803 20 30 CCEDLP C[C@@H](C[NH2+]Cc1nc(C#N)cs1)N1CC[NH+](C)CC1 ZINC000352835474 356093354 /nfs/dbraw/zinc/09/33/54/356093354.db2.gz PLFCZTCOCNDOPO-NSHDSACASA-N 2 2 279.413 0.740 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000619672550 366318406 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CCEDLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1C#N ZINC000449396104 236032901 /nfs/dbraw/zinc/03/29/01/236032901.db2.gz RKCPVDORTOWFOS-CQSZACIVSA-N 2 2 276.384 0.833 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000573177547 358944144 /nfs/dbraw/zinc/94/41/44/358944144.db2.gz UUDJEPLKIQCZGM-LXFSFDBISA-N 2 2 284.400 0.390 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3(C#N)CC3)C2)CC1 ZINC000590243075 359432838 /nfs/dbraw/zinc/43/28/38/359432838.db2.gz IEIXAVLNZPBARL-CYBMUJFWSA-N 2 2 290.411 0.965 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3(C#N)CC3)C2)CC1 ZINC000590243075 359432843 /nfs/dbraw/zinc/43/28/43/359432843.db2.gz IEIXAVLNZPBARL-CYBMUJFWSA-N 2 2 290.411 0.965 20 30 CCEDLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000591733751 359649647 /nfs/dbraw/zinc/64/96/47/359649647.db2.gz HRBWHIWLJZYDMX-LSDHHAIUSA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000591733751 359649654 /nfs/dbraw/zinc/64/96/54/359649654.db2.gz HRBWHIWLJZYDMX-LSDHHAIUSA-N 2 2 289.379 0.982 20 30 CCEDLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441515 360310257 /nfs/dbraw/zinc/31/02/57/360310257.db2.gz SGRBGSDLQZXSID-CYBMUJFWSA-N 2 2 282.388 0.188 20 30 CCEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000595561276 360581195 /nfs/dbraw/zinc/58/11/95/360581195.db2.gz DSQNDKKEFDSDFG-CHWSQXEVSA-N 2 2 255.362 0.038 20 30 CCEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(CC#N)C1 ZINC000595561276 360581202 /nfs/dbraw/zinc/58/12/02/360581202.db2.gz DSQNDKKEFDSDFG-CHWSQXEVSA-N 2 2 255.362 0.038 20 30 CCEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000595561276 360581206 /nfs/dbraw/zinc/58/12/06/360581206.db2.gz DSQNDKKEFDSDFG-CHWSQXEVSA-N 2 2 255.362 0.038 20 30 CCEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000595561276 360581212 /nfs/dbraw/zinc/58/12/12/360581212.db2.gz DSQNDKKEFDSDFG-CHWSQXEVSA-N 2 2 255.362 0.038 20 30 CCEDLP C=CCCSCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000595939469 360716484 /nfs/dbraw/zinc/71/64/84/360716484.db2.gz JXBVMSYKZGANTN-NSHDSACASA-N 2 2 259.419 0.691 20 30 CCEDLP C=C[C@@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000611974469 363819895 /nfs/dbraw/zinc/81/98/95/363819895.db2.gz PVAKHKWOSLUERK-CQSZACIVSA-N 2 2 269.389 0.066 20 30 CCEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613209631 364162476 /nfs/dbraw/zinc/16/24/76/364162476.db2.gz BISKXMNKIFROBZ-MELADBBJSA-N 2 2 263.385 0.727 20 30 CCEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000613209631 364162479 /nfs/dbraw/zinc/16/24/79/364162479.db2.gz BISKXMNKIFROBZ-MELADBBJSA-N 2 2 263.385 0.727 20 30 CCEDLP C=CC[C@@]1(C(=O)NC[C@@H]2COCC[N@H+]2C)CCC[NH2+]1 ZINC000638610226 375189024 /nfs/dbraw/zinc/18/90/24/375189024.db2.gz JBAMAXBMKNRLCE-OCCSQVGLSA-N 2 2 267.373 0.132 20 30 CCEDLP C=CC[C@@]1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCC[NH2+]1 ZINC000638610226 375189030 /nfs/dbraw/zinc/18/90/30/375189030.db2.gz JBAMAXBMKNRLCE-OCCSQVGLSA-N 2 2 267.373 0.132 20 30 CCEDLP CNC(=[NH2+])NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000130685573 389208250 /nfs/dbraw/zinc/20/82/50/389208250.db2.gz AXJBXDMPCAVENA-UHFFFAOYSA-N 2 2 295.818 0.996 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000245440468 389208636 /nfs/dbraw/zinc/20/86/36/389208636.db2.gz GOILQCVCSLNCGO-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000245440468 389208637 /nfs/dbraw/zinc/20/86/37/389208637.db2.gz GOILQCVCSLNCGO-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245440468 389208640 /nfs/dbraw/zinc/20/86/40/389208640.db2.gz GOILQCVCSLNCGO-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245440468 389208642 /nfs/dbraw/zinc/20/86/42/389208642.db2.gz GOILQCVCSLNCGO-CHWSQXEVSA-N 2 2 251.374 0.398 20 30 CCEDLP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N(C)Cc1ccon1 ZINC000261804027 389277213 /nfs/dbraw/zinc/27/72/13/389277213.db2.gz RTPLSUUHRTUJMF-CYBMUJFWSA-N 2 2 295.387 0.403 20 30 CCEDLP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N(C)Cc1ccon1 ZINC000261804027 389277214 /nfs/dbraw/zinc/27/72/14/389277214.db2.gz RTPLSUUHRTUJMF-CYBMUJFWSA-N 2 2 295.387 0.403 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000153293648 389298030 /nfs/dbraw/zinc/29/80/30/389298030.db2.gz VGIGDKUMMWWATQ-HUUCEWRRSA-N 2 2 275.396 0.496 20 30 CCEDLP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CC1 ZINC000264056679 389303883 /nfs/dbraw/zinc/30/38/83/389303883.db2.gz BCRONEHGWAQURC-OAHLLOKOSA-N 2 2 288.395 0.954 20 30 CCEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CC1 ZINC000264056679 389303886 /nfs/dbraw/zinc/30/38/86/389303886.db2.gz BCRONEHGWAQURC-OAHLLOKOSA-N 2 2 288.395 0.954 20 30 CCEDLP C[NH+](C)CCCN(CCC#N)C(=O)CCn1cc[nH+]c1 ZINC000264133905 389308418 /nfs/dbraw/zinc/30/84/18/389308418.db2.gz FFXDSKLHQLEFEE-UHFFFAOYSA-N 2 2 277.372 0.967 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373108698 389464028 /nfs/dbraw/zinc/46/40/28/389464028.db2.gz DICSWGHBZALFFX-CHWSQXEVSA-N 2 2 274.368 0.737 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373108698 389464032 /nfs/dbraw/zinc/46/40/32/389464032.db2.gz DICSWGHBZALFFX-CHWSQXEVSA-N 2 2 274.368 0.737 20 30 CCEDLP COC[C@H](C)NC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000170912477 389468300 /nfs/dbraw/zinc/46/83/00/389468300.db2.gz DOCXWNPKBQCLJH-NSHDSACASA-N 2 2 288.355 0.707 20 30 CCEDLP COCC[NH2+]CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000414866279 389641523 /nfs/dbraw/zinc/64/15/23/389641523.db2.gz AGJMMIXKDDVWQL-UHFFFAOYSA-N 2 2 263.341 0.892 20 30 CCEDLP C=CCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375761293 389709747 /nfs/dbraw/zinc/70/97/47/389709747.db2.gz VUCAZXHRSGPTJM-FUNVUKJBSA-N 2 2 251.374 0.846 20 30 CCEDLP C=CCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375761293 389709750 /nfs/dbraw/zinc/70/97/50/389709750.db2.gz VUCAZXHRSGPTJM-FUNVUKJBSA-N 2 2 251.374 0.846 20 30 CCEDLP C=CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375761293 389709751 /nfs/dbraw/zinc/70/97/51/389709751.db2.gz VUCAZXHRSGPTJM-FUNVUKJBSA-N 2 2 251.374 0.846 20 30 CCEDLP C=CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375761293 389709755 /nfs/dbraw/zinc/70/97/55/389709755.db2.gz VUCAZXHRSGPTJM-FUNVUKJBSA-N 2 2 251.374 0.846 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])C1=O ZINC000420290643 389978833 /nfs/dbraw/zinc/97/88/33/389978833.db2.gz MHIAAXNHOLFWSC-AVGNSLFASA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])C1=O ZINC000420290643 389978836 /nfs/dbraw/zinc/97/88/36/389978836.db2.gz MHIAAXNHOLFWSC-AVGNSLFASA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420369865 389993778 /nfs/dbraw/zinc/99/37/78/389993778.db2.gz OPHSJTBGLQEVEK-WISYIIOYSA-N 2 2 282.388 0.363 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000646106632 390599625 /nfs/dbraw/zinc/59/96/25/390599625.db2.gz HYMANVDANDWJSP-AWEZNQCLSA-N 2 2 293.411 0.570 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000646106632 390599630 /nfs/dbraw/zinc/59/96/30/390599630.db2.gz HYMANVDANDWJSP-AWEZNQCLSA-N 2 2 293.411 0.570 20 30 CCEDLP C=C(C)[C@@H](CO)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649624875 397649602 /nfs/dbraw/zinc/64/96/02/397649602.db2.gz JYCAOTGCFQDCNG-CQSZACIVSA-N 2 2 268.401 0.750 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662152208 414693673 /nfs/dbraw/zinc/69/36/73/414693673.db2.gz QXOCMHXUNRMSSN-CABCVRRESA-N 2 2 293.411 0.304 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662152208 414693674 /nfs/dbraw/zinc/69/36/74/414693674.db2.gz QXOCMHXUNRMSSN-CABCVRRESA-N 2 2 293.411 0.304 20 30 CCEDLP C=CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C)COC ZINC000662853470 414843784 /nfs/dbraw/zinc/84/37/84/414843784.db2.gz GJLDIQWSGGMPAP-NWDGAFQWSA-N 2 2 257.378 0.315 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000491777410 262036109 /nfs/dbraw/zinc/03/61/09/262036109.db2.gz GDGQMBPNANDBMQ-UHFFFAOYSA-N 2 2 291.399 0.918 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000491777410 262036110 /nfs/dbraw/zinc/03/61/10/262036110.db2.gz GDGQMBPNANDBMQ-UHFFFAOYSA-N 2 2 291.399 0.918 20 30 CCEDLP Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)c(C#N)c[nH+]1 ZINC000425208738 274674249 /nfs/dbraw/zinc/67/42/49/274674249.db2.gz PNGMBZWVVOJZAG-AWEZNQCLSA-N 2 2 274.368 0.942 20 30 CCEDLP C[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329739617 277047179 /nfs/dbraw/zinc/04/71/79/277047179.db2.gz NNCRAJVUEFKXHW-NSHDSACASA-N 2 2 277.372 0.819 20 30 CCEDLP C[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329739617 277047180 /nfs/dbraw/zinc/04/71/80/277047180.db2.gz NNCRAJVUEFKXHW-NSHDSACASA-N 2 2 277.372 0.819 20 30 CCEDLP C[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329739617 277047182 /nfs/dbraw/zinc/04/71/82/277047182.db2.gz NNCRAJVUEFKXHW-NSHDSACASA-N 2 2 277.372 0.819 20 30 CCEDLP C[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329739617 277047183 /nfs/dbraw/zinc/04/71/83/277047183.db2.gz NNCRAJVUEFKXHW-NSHDSACASA-N 2 2 277.372 0.819 20 30 CCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000329792955 279295906 /nfs/dbraw/zinc/29/59/06/279295906.db2.gz AOMLPIDNYAZVMM-KGLIPLIRSA-N 2 2 297.447 0.220 20 30 CCEDLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000329792955 279295907 /nfs/dbraw/zinc/29/59/07/279295907.db2.gz AOMLPIDNYAZVMM-KGLIPLIRSA-N 2 2 297.447 0.220 20 30 CCEDLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329792955 279295908 /nfs/dbraw/zinc/29/59/08/279295908.db2.gz AOMLPIDNYAZVMM-KGLIPLIRSA-N 2 2 297.447 0.220 20 30 CCEDLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000329792955 279295909 /nfs/dbraw/zinc/29/59/09/279295909.db2.gz AOMLPIDNYAZVMM-KGLIPLIRSA-N 2 2 297.447 0.220 20 30 CCEDLP C=CC[C@H](CC)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563592819 328075504 /nfs/dbraw/zinc/07/55/04/328075504.db2.gz WTEGYNKARBPARG-NWDGAFQWSA-N 2 2 254.378 0.625 20 30 CCEDLP C=CC[C@H](CC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563592819 328075505 /nfs/dbraw/zinc/07/55/05/328075505.db2.gz WTEGYNKARBPARG-NWDGAFQWSA-N 2 2 254.378 0.625 20 30 CCEDLP [NH2+]=C(NCC[NH+]1CCSCC1)Nc1ccccn1 ZINC000262503089 330018305 /nfs/dbraw/zinc/01/83/05/330018305.db2.gz AKNRRJGFFRARBR-UHFFFAOYSA-N 2 2 265.386 0.857 20 30 CCEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])N2CCSCC2)n1C ZINC000262514573 330019059 /nfs/dbraw/zinc/01/90/59/330019059.db2.gz FRVNEAARPCTCNN-UHFFFAOYSA-N 2 2 282.417 0.350 20 30 CCEDLP C=C(C)COCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422988659 330163040 /nfs/dbraw/zinc/16/30/40/330163040.db2.gz JRASIHFYCKDPQW-ZIAGYGMSSA-N 2 2 254.374 0.936 20 30 CCEDLP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)[NH+]1CCOCC1 ZINC000424157105 330304679 /nfs/dbraw/zinc/30/46/79/330304679.db2.gz PFBAXEJSQIHNQI-AVGNSLFASA-N 2 2 282.388 0.233 20 30 CCEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nn1 ZINC000424368643 330347996 /nfs/dbraw/zinc/34/79/96/330347996.db2.gz BNQCLHNYRIQMIO-ZNMIVQPWSA-N 2 2 291.399 0.711 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000490603839 332094702 /nfs/dbraw/zinc/09/47/02/332094702.db2.gz GUBORNBFGFTLFP-UHFFFAOYSA-N 2 2 260.341 0.382 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000490852035 332120511 /nfs/dbraw/zinc/12/05/11/332120511.db2.gz KIEVURNCDBPMAA-UHFFFAOYSA-N 2 2 263.385 0.496 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@@H](C)[C@H](C)C2)CC1 ZINC000490866453 332122253 /nfs/dbraw/zinc/12/22/53/332122253.db2.gz OXWZOCZUNSTLPA-ZIAGYGMSSA-N 2 2 263.385 0.352 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000490891777 332125106 /nfs/dbraw/zinc/12/51/06/332125106.db2.gz HFQVMJROLBHHDG-NEPJUHHUSA-N 2 2 260.341 0.347 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000490891777 332125108 /nfs/dbraw/zinc/12/51/08/332125108.db2.gz HFQVMJROLBHHDG-NEPJUHHUSA-N 2 2 260.341 0.347 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000491506117 332224917 /nfs/dbraw/zinc/22/49/17/332224917.db2.gz OLHXCSUXPQASRL-INIZCTEOSA-N 2 2 287.407 0.888 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000491554378 332236720 /nfs/dbraw/zinc/23/67/20/332236720.db2.gz IOLDELSRHOJBMT-UHFFFAOYSA-N 2 2 299.418 0.815 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000491615588 332243053 /nfs/dbraw/zinc/24/30/53/332243053.db2.gz FONWQOPTKHTRFA-CQSZACIVSA-N 2 2 273.336 0.674 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000491615588 332243055 /nfs/dbraw/zinc/24/30/55/332243055.db2.gz FONWQOPTKHTRFA-CQSZACIVSA-N 2 2 273.336 0.674 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CF)CC2)CC1 ZINC000491779744 332344401 /nfs/dbraw/zinc/34/44/01/332344401.db2.gz KKQIBDFRLANZFE-UHFFFAOYSA-N 2 2 281.375 0.445 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245412362 334190739 /nfs/dbraw/zinc/19/07/39/334190739.db2.gz AKYOGALLFJZIBC-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245412362 334190740 /nfs/dbraw/zinc/19/07/40/334190740.db2.gz AKYOGALLFJZIBC-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245412362 334190741 /nfs/dbraw/zinc/19/07/41/334190741.db2.gz AKYOGALLFJZIBC-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245412362 334190742 /nfs/dbraw/zinc/19/07/42/334190742.db2.gz AKYOGALLFJZIBC-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP CC[NH+]1CCC([N@H+](C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000347047831 528971524 /nfs/dbraw/zinc/97/15/24/528971524.db2.gz APPPLSDIMRHGIN-UHFFFAOYSA-N 2 2 278.400 0.965 20 30 CCEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC1 ZINC000347047831 528971529 /nfs/dbraw/zinc/97/15/29/528971529.db2.gz APPPLSDIMRHGIN-UHFFFAOYSA-N 2 2 278.400 0.965 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000677905141 545376289 /nfs/dbraw/zinc/37/62/89/545376289.db2.gz SKHQGDXGDJJTSO-HZPDHXFCSA-N 2 2 279.428 0.594 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000677905141 545376290 /nfs/dbraw/zinc/37/62/90/545376290.db2.gz SKHQGDXGDJJTSO-HZPDHXFCSA-N 2 2 279.428 0.594 20 30 CCEDLP C[C@H]1C[NH+]=C(N[NH+]=Cc2ccc(N(C)CCO)cc2)N1 ZINC000779804113 581207399 /nfs/dbraw/zinc/20/73/99/581207399.db2.gz AMCDUCCBFDGDHA-NSHDSACASA-N 2 2 275.356 0.386 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000767436896 581613306 /nfs/dbraw/zinc/61/33/06/581613306.db2.gz ZRKABYJLRPXKGE-QWHCGFSZSA-N 2 2 260.341 0.515 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000767436896 581613310 /nfs/dbraw/zinc/61/33/10/581613310.db2.gz ZRKABYJLRPXKGE-QWHCGFSZSA-N 2 2 260.341 0.515 20 30 CCEDLP C#C[C@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000775793487 582039106 /nfs/dbraw/zinc/03/91/06/582039106.db2.gz DFKJUJMMAXTPEH-QLFBSQMISA-N 2 2 293.411 0.309 20 30 CCEDLP C#C[C@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)[C@@H]1CCCO1 ZINC000775793486 582039115 /nfs/dbraw/zinc/03/91/15/582039115.db2.gz DFKJUJMMAXTPEH-KKUMJFAQSA-N 2 2 293.411 0.309 20 30 CCEDLP N#CCCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751482828 582082911 /nfs/dbraw/zinc/08/29/11/582082911.db2.gz LOZKZXHXVAEQOE-UHFFFAOYSA-N 2 2 261.329 0.619 20 30 CCEDLP C#CCC[NH+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000768526454 582107655 /nfs/dbraw/zinc/10/76/55/582107655.db2.gz PPZKSJMQRPLYKU-UHFFFAOYSA-N 2 2 274.372 0.391 20 30 CCEDLP C#CCOCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000851775066 612982359 /nfs/dbraw/zinc/98/23/59/612982359.db2.gz ODTFHKMGKNKSLZ-UHFFFAOYSA-N 2 2 254.374 0.415 20 30 CCEDLP C#CCOCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000851775066 612982361 /nfs/dbraw/zinc/98/23/61/612982361.db2.gz ODTFHKMGKNKSLZ-UHFFFAOYSA-N 2 2 254.374 0.415 20 30 CCEDLP CCCCN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755648025 614429109 /nfs/dbraw/zinc/42/91/09/614429109.db2.gz CMDVTNOPVGYQCE-UHFFFAOYSA-N 2 2 276.388 0.952 20 30 CCEDLP C#CCC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000806905652 612998885 /nfs/dbraw/zinc/99/88/85/612998885.db2.gz RVTFVFHXKIXTBB-UHFFFAOYSA-N 2 2 274.368 0.946 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944097220 613017957 /nfs/dbraw/zinc/01/79/57/613017957.db2.gz FEJVJWKKDHZJFD-UKRRQHHQSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944097220 613017959 /nfs/dbraw/zinc/01/79/59/613017959.db2.gz FEJVJWKKDHZJFD-UKRRQHHQSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947860973 613026767 /nfs/dbraw/zinc/02/67/67/613026767.db2.gz CNDUTUVCGWNXET-OLZOCXBDSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947860973 613026768 /nfs/dbraw/zinc/02/67/68/613026768.db2.gz CNDUTUVCGWNXET-OLZOCXBDSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834597082 613197004 /nfs/dbraw/zinc/19/70/04/613197004.db2.gz DXDDOPJCTKEZEH-KFWWJZLASA-N 2 2 293.386 0.729 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834597082 613197006 /nfs/dbraw/zinc/19/70/06/613197006.db2.gz DXDDOPJCTKEZEH-KFWWJZLASA-N 2 2 293.386 0.729 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967397260 613219196 /nfs/dbraw/zinc/21/91/96/613219196.db2.gz MQIHIBFAJHIGTK-TZMCWYRMSA-N 2 2 274.368 0.651 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967397260 613219197 /nfs/dbraw/zinc/21/91/97/613219197.db2.gz MQIHIBFAJHIGTK-TZMCWYRMSA-N 2 2 274.368 0.651 20 30 CCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961834683 613316118 /nfs/dbraw/zinc/31/61/18/613316118.db2.gz QYBPROJNMYTGOF-NTASLKFISA-N 2 2 284.363 0.203 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961834683 613316120 /nfs/dbraw/zinc/31/61/20/613316120.db2.gz QYBPROJNMYTGOF-NTASLKFISA-N 2 2 284.363 0.203 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130835 613330000 /nfs/dbraw/zinc/33/00/00/613330000.db2.gz LLIIMHGRDLKIKF-CYBMUJFWSA-N 2 2 272.352 0.342 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130835 613330001 /nfs/dbraw/zinc/33/00/01/613330001.db2.gz LLIIMHGRDLKIKF-CYBMUJFWSA-N 2 2 272.352 0.342 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000822955641 613366484 /nfs/dbraw/zinc/36/64/84/613366484.db2.gz CDHRCPCZAFJILP-UHFFFAOYSA-N 2 2 269.389 0.331 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000822955641 613366485 /nfs/dbraw/zinc/36/64/85/613366485.db2.gz CDHRCPCZAFJILP-UHFFFAOYSA-N 2 2 269.389 0.331 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000876715455 613389225 /nfs/dbraw/zinc/38/92/25/613389225.db2.gz MECVZGIBKNTAGZ-NSHDSACASA-N 2 2 275.780 0.247 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000876961743 613389939 /nfs/dbraw/zinc/38/99/39/613389939.db2.gz WNLOYYVWOHPSCQ-TUAOUCFPSA-N 2 2 289.807 0.682 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000876961743 613389940 /nfs/dbraw/zinc/38/99/40/613389940.db2.gz WNLOYYVWOHPSCQ-TUAOUCFPSA-N 2 2 289.807 0.682 20 30 CCEDLP C=C[C@@H](C)ONC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000854220577 613445890 /nfs/dbraw/zinc/44/58/90/613445890.db2.gz WCJKDZMVRACBLB-GFCCVEGCSA-N 2 2 272.393 0.675 20 30 CCEDLP C=C[C@@H](C)ONC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000854220577 613445892 /nfs/dbraw/zinc/44/58/92/613445892.db2.gz WCJKDZMVRACBLB-GFCCVEGCSA-N 2 2 272.393 0.675 20 30 CCEDLP CC#CC[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982086530 613542355 /nfs/dbraw/zinc/54/23/55/613542355.db2.gz GTDLKWGWSJZXGL-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP CC#CC[N@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982086530 613542356 /nfs/dbraw/zinc/54/23/56/613542356.db2.gz GTDLKWGWSJZXGL-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968651461 613593162 /nfs/dbraw/zinc/59/31/62/613593162.db2.gz JCXAOKBQNAIFOM-LSDHHAIUSA-N 2 2 277.412 0.932 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000968651461 613593163 /nfs/dbraw/zinc/59/31/63/613593163.db2.gz JCXAOKBQNAIFOM-LSDHHAIUSA-N 2 2 277.412 0.932 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977620826 613608687 /nfs/dbraw/zinc/60/86/87/613608687.db2.gz LEPOKOHBSGHDKS-CQSZACIVSA-N 2 2 277.412 0.932 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977620826 613608688 /nfs/dbraw/zinc/60/86/88/613608688.db2.gz LEPOKOHBSGHDKS-CQSZACIVSA-N 2 2 277.412 0.932 20 30 CCEDLP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977620818 613620271 /nfs/dbraw/zinc/62/02/71/613620271.db2.gz LEPOKOHBSGHDKS-AWEZNQCLSA-N 2 2 277.412 0.932 20 30 CCEDLP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000977620818 613620273 /nfs/dbraw/zinc/62/02/73/613620273.db2.gz LEPOKOHBSGHDKS-AWEZNQCLSA-N 2 2 277.412 0.932 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000951636213 613718756 /nfs/dbraw/zinc/71/87/56/613718756.db2.gz ZWMNCRZJLJEYPU-UHFFFAOYSA-N 2 2 291.399 0.389 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674777 613723424 /nfs/dbraw/zinc/72/34/24/613723424.db2.gz SLGRTGAMLVVYTA-INIZCTEOSA-N 2 2 293.411 0.572 20 30 CCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674777 613723428 /nfs/dbraw/zinc/72/34/28/613723428.db2.gz SLGRTGAMLVVYTA-INIZCTEOSA-N 2 2 293.411 0.572 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CC[NH2+]CCC2(C)C)C1=O ZINC000866697664 613739608 /nfs/dbraw/zinc/73/96/08/613739608.db2.gz UUWOHFXDCCXTOA-GFCCVEGCSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[NH2+]CCC2(C)C)C1=O ZINC000866697664 613739609 /nfs/dbraw/zinc/73/96/09/613739609.db2.gz UUWOHFXDCCXTOA-GFCCVEGCSA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943174456 613782737 /nfs/dbraw/zinc/78/27/37/613782737.db2.gz DCNFFRLNMYCBIE-YPMHNXCESA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943174456 613782740 /nfs/dbraw/zinc/78/27/40/613782740.db2.gz DCNFFRLNMYCBIE-YPMHNXCESA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945639169 613783306 /nfs/dbraw/zinc/78/33/06/613783306.db2.gz CINSNKDIZTWHQN-OLZOCXBDSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945639169 613783307 /nfs/dbraw/zinc/78/33/07/613783307.db2.gz CINSNKDIZTWHQN-OLZOCXBDSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865116 613845368 /nfs/dbraw/zinc/84/53/68/613845368.db2.gz AJMKRFQQWDJPCR-AWEZNQCLSA-N 2 2 251.374 0.754 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865116 613845369 /nfs/dbraw/zinc/84/53/69/613845369.db2.gz AJMKRFQQWDJPCR-AWEZNQCLSA-N 2 2 251.374 0.754 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000969137907 613864668 /nfs/dbraw/zinc/86/46/68/613864668.db2.gz GCNYUSPSDHVPBP-CHWSQXEVSA-N 2 2 274.368 0.822 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000884287834 613877587 /nfs/dbraw/zinc/87/75/87/613877587.db2.gz NEHJRJUYNIPJBU-SWLSCSKDSA-N 2 2 295.383 0.035 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]12 ZINC001026253014 625375707 /nfs/dbraw/zinc/37/57/07/625375707.db2.gz WMKWOIATGSPAJG-MGPQQGTHSA-N 2 2 286.379 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]12 ZINC001026364109 625414296 /nfs/dbraw/zinc/41/42/96/625414296.db2.gz CFBDNJQJFWHNIW-MRVWCRGKSA-N 2 2 272.352 0.412 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001026364107 625414339 /nfs/dbraw/zinc/41/43/39/625414339.db2.gz CFBDNJQJFWHNIW-IACUBPJLSA-N 2 2 272.352 0.412 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024507026 623342184 /nfs/dbraw/zinc/34/21/84/623342184.db2.gz RNVTVRAZPDADQI-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024507026 623342192 /nfs/dbraw/zinc/34/21/92/623342192.db2.gz RNVTVRAZPDADQI-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024507026 623342203 /nfs/dbraw/zinc/34/22/03/623342203.db2.gz RNVTVRAZPDADQI-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024507026 623342213 /nfs/dbraw/zinc/34/22/13/623342213.db2.gz RNVTVRAZPDADQI-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000925893932 631438571 /nfs/dbraw/zinc/43/85/71/631438571.db2.gz SMXIOAOCNIKENO-WCQYABFASA-N 2 2 259.357 0.953 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989675799 633342069 /nfs/dbraw/zinc/34/20/69/633342069.db2.gz MPDHOMPHCAMJKD-NEPJUHHUSA-N 2 2 260.341 0.175 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989676712 633343343 /nfs/dbraw/zinc/34/33/43/633343343.db2.gz RWSGHSNFFSVETN-NEPJUHHUSA-N 2 2 262.357 0.728 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989727883 633349565 /nfs/dbraw/zinc/34/95/65/633349565.db2.gz WUDVVBJNVJNLTH-PWSUYJOCSA-N 2 2 260.341 0.473 20 30 CCEDLP C=CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208238 650140046 /nfs/dbraw/zinc/14/00/46/650140046.db2.gz NCIVRJKWLZLGGS-LBPRGKRZSA-N 2 2 262.357 0.729 20 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C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014996530 650513871 /nfs/dbraw/zinc/51/38/71/650513871.db2.gz OULQWFCMRPTIPW-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014996530 650513875 /nfs/dbraw/zinc/51/38/75/650513875.db2.gz OULQWFCMRPTIPW-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015015730 650515023 /nfs/dbraw/zinc/51/50/23/650515023.db2.gz UMQPETSEXBLCEG-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001015015730 650515024 /nfs/dbraw/zinc/51/50/24/650515024.db2.gz UMQPETSEXBLCEG-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015038079 650518044 /nfs/dbraw/zinc/51/80/44/650518044.db2.gz MMTKWTOWVLIFTN-NSHDSACASA-N 2 2 278.356 0.726 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015038079 650518046 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C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(C#N)ccn1 ZINC001232477523 805945279 /nfs/dbraw/zinc/94/52/79/805945279.db2.gz BFBNAKCSPNQTPW-UHFFFAOYSA-N 2 2 273.384 0.632 20 30 CCEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(C#N)ccn1 ZINC001232477523 805945284 /nfs/dbraw/zinc/94/52/84/805945284.db2.gz BFBNAKCSPNQTPW-UHFFFAOYSA-N 2 2 273.384 0.632 20 30 CCEDLP C=CCN1CC[C@@]2(CCC[N@@H+](C[C@H](C)[NH3+])C2)C1=O ZINC001235494997 806434728 /nfs/dbraw/zinc/43/47/28/806434728.db2.gz VCWNYFZGZOWDSU-GXTWGEPZSA-N 2 2 251.374 0.834 20 30 CCEDLP C=CCN1CC[C@@]2(CCC[N@H+](C[C@H](C)[NH3+])C2)C1=O ZINC001235494997 806434730 /nfs/dbraw/zinc/43/47/30/806434730.db2.gz VCWNYFZGZOWDSU-GXTWGEPZSA-N 2 2 251.374 0.834 20 30 CCEDLP C#CC[NH2+]C1CC2(CC(NC(=O)CCn3cc[nH+]c3)C2)C1 ZINC001121500588 799053696 /nfs/dbraw/zinc/05/36/96/799053696.db2.gz DAPADALWLCCPQI-UHFFFAOYSA-N 2 2 286.379 0.923 20 30 CCEDLP C=CC[NH+](CC=C)CCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC001203020696 799903328 /nfs/dbraw/zinc/90/33/28/799903328.db2.gz AMVLPORCRBZUTG-UHFFFAOYSA-N 2 2 294.443 0.366 20 30 CCEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150372226 800332740 /nfs/dbraw/zinc/33/27/40/800332740.db2.gz PJPDWBYWVPCBTE-AWEZNQCLSA-N 2 2 292.383 0.735 20 30 CCEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150372226 800332745 /nfs/dbraw/zinc/33/27/45/800332745.db2.gz PJPDWBYWVPCBTE-AWEZNQCLSA-N 2 2 292.383 0.735 20 30 CCEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150506830 800342824 /nfs/dbraw/zinc/34/28/24/800342824.db2.gz ATDKPLVMKDYFDD-CYBMUJFWSA-N 2 2 292.383 0.735 20 30 CCEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150506830 800342832 /nfs/dbraw/zinc/34/28/32/800342832.db2.gz ATDKPLVMKDYFDD-CYBMUJFWSA-N 2 2 292.383 0.735 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507429 800343055 /nfs/dbraw/zinc/34/30/55/800343055.db2.gz FUIAFVPCBHUXSV-LBPRGKRZSA-N 2 2 278.356 0.345 20 30 CCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507429 800343061 /nfs/dbraw/zinc/34/30/61/800343061.db2.gz FUIAFVPCBHUXSV-LBPRGKRZSA-N 2 2 278.356 0.345 20 30 CCEDLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001151147774 800403610 /nfs/dbraw/zinc/40/36/10/800403610.db2.gz VRUANDGMYHVOEP-UHFFFAOYSA-N 2 2 297.362 0.969 20 30 CCEDLP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383892 801159079 /nfs/dbraw/zinc/15/90/79/801159079.db2.gz RXYWQBUBBJZFSD-CYBMUJFWSA-N 2 2 276.384 0.813 20 30 CCEDLP C#CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383892 801159082 /nfs/dbraw/zinc/15/90/82/801159082.db2.gz RXYWQBUBBJZFSD-CYBMUJFWSA-N 2 2 276.384 0.813 20 30 CCEDLP C[NH+]1CCN(C(=[NH2+])Nc2cncc(CC#N)n2)CC1 ZINC001157914893 801518731 /nfs/dbraw/zinc/51/87/31/801518731.db2.gz GMEJMZUAENGSCB-UHFFFAOYSA-N 2 2 259.317 0.137 20 30 CCEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)ncc2C#N)CC1 ZINC001157915442 801521015 /nfs/dbraw/zinc/52/10/15/801521015.db2.gz XEGOFTRVXCSKSA-UHFFFAOYSA-N 2 2 279.735 0.596 20 30 CCEDLP N#Cc1c[nH]c2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc12 ZINC001158206388 801594403 /nfs/dbraw/zinc/59/44/03/801594403.db2.gz MHBLNXYFKQHVLA-SNVBAGLBSA-N 2 2 282.307 0.482 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001278308341 806926429 /nfs/dbraw/zinc/92/64/29/806926429.db2.gz MVYBLQDIOWWYGB-NWDGAFQWSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158750265 801698690 /nfs/dbraw/zinc/69/86/90/801698690.db2.gz IPNFQGGGZGIXBZ-CQSZACIVSA-N 2 2 288.395 0.909 20 30 CCEDLP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001158750265 801698694 /nfs/dbraw/zinc/69/86/94/801698694.db2.gz IPNFQGGGZGIXBZ-CQSZACIVSA-N 2 2 288.395 0.909 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161309670 802124292 /nfs/dbraw/zinc/12/42/92/802124292.db2.gz OPURUVSNBOVQLH-ZDUSSCGKSA-N 2 2 274.368 0.565 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161316681 802124942 /nfs/dbraw/zinc/12/49/42/802124942.db2.gz 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PYWGCSLTPZTUEQ-NWDGAFQWSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001054951175 853042967 /nfs/dbraw/zinc/04/29/67/853042967.db2.gz JNSUFVNCRGRKBC-CHWSQXEVSA-N 2 2 262.357 0.896 20 30 CCEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001050847619 853458906 /nfs/dbraw/zinc/45/89/06/853458906.db2.gz BBZKFNOCRPEHBC-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001050847619 853458907 /nfs/dbraw/zinc/45/89/07/853458907.db2.gz BBZKFNOCRPEHBC-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001050847619 853458908 /nfs/dbraw/zinc/45/89/08/853458908.db2.gz BBZKFNOCRPEHBC-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001050847619 853458909 /nfs/dbraw/zinc/45/89/09/853458909.db2.gz BBZKFNOCRPEHBC-LSDHHAIUSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051245410 853553018 /nfs/dbraw/zinc/55/30/18/853553018.db2.gz NKQLEPRQLVUGMJ-KBPBESRZSA-N 2 2 281.400 0.331 20 30 CCEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001051245410 853553028 /nfs/dbraw/zinc/55/30/28/853553028.db2.gz NKQLEPRQLVUGMJ-KBPBESRZSA-N 2 2 281.400 0.331 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051245410 853553037 /nfs/dbraw/zinc/55/30/37/853553037.db2.gz NKQLEPRQLVUGMJ-KBPBESRZSA-N 2 2 281.400 0.331 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051245410 853553039 /nfs/dbraw/zinc/55/30/39/853553039.db2.gz NKQLEPRQLVUGMJ-KBPBESRZSA-N 2 2 281.400 0.331 20 30 CCEDLP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072860936 854481504 /nfs/dbraw/zinc/48/15/04/854481504.db2.gz OJIGOXKCAPOSAC-AWEZNQCLSA-N 2 2 298.390 0.613 20 30 CCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072860936 854481507 /nfs/dbraw/zinc/48/15/07/854481507.db2.gz OJIGOXKCAPOSAC-AWEZNQCLSA-N 2 2 298.390 0.613 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940540 855039997 /nfs/dbraw/zinc/03/99/97/855039997.db2.gz XEXBZSVRUPIRIS-ZIAGYGMSSA-N 2 2 292.383 0.401 20 30 CCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940540 855040004 /nfs/dbraw/zinc/04/00/04/855040004.db2.gz XEXBZSVRUPIRIS-ZIAGYGMSSA-N 2 2 292.383 0.401 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513236 855442058 /nfs/dbraw/zinc/44/20/58/855442058.db2.gz AXZVMTCPQATVQL-ZIAGYGMSSA-N 2 2 288.395 0.670 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513236 855442060 /nfs/dbraw/zinc/44/20/60/855442060.db2.gz AXZVMTCPQATVQL-ZIAGYGMSSA-N 2 2 288.395 0.670 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001323356346 912290986 /nfs/dbraw/zinc/29/09/86/912290986.db2.gz IYZCPTQJAMLWOC-CYBMUJFWSA-N 2 2 260.341 0.405 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001323356346 912290999 /nfs/dbraw/zinc/29/09/99/912290999.db2.gz IYZCPTQJAMLWOC-CYBMUJFWSA-N 2 2 260.341 0.405 20 30 CCEDLP C#CCC[NH+]1CC(O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001325319676 913342404 /nfs/dbraw/zinc/34/24/04/913342404.db2.gz ZQJLCVMGIFHLLO-UHFFFAOYSA-N 2 2 293.411 0.049 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206476 891557128 /nfs/dbraw/zinc/55/71/28/891557128.db2.gz BXXUADONZCZSSB-UONOGXRCSA-N 2 2 290.367 0.440 20 30 CCEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206476 891557145 /nfs/dbraw/zinc/55/71/45/891557145.db2.gz BXXUADONZCZSSB-UONOGXRCSA-N 2 2 290.367 0.440 20 30 CCEDLP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001282174754 892953114 /nfs/dbraw/zinc/95/31/14/892953114.db2.gz MAHHJWIXOVYTJF-OLZOCXBDSA-N 2 2 262.357 0.779 20 30 CCEDLP CC#CC[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001482159837 893449526 /nfs/dbraw/zinc/44/95/26/893449526.db2.gz SWRCZZKDGGTZIR-LBPRGKRZSA-N 2 2 262.357 0.328 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483144504 895024161 /nfs/dbraw/zinc/02/41/61/895024161.db2.gz PLDGGLCTJUKMIL-OLZOCXBDSA-N 2 2 274.368 0.563 20 30 CCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001483175976 895058669 /nfs/dbraw/zinc/05/86/69/895058669.db2.gz YFXQKPWZXKJQNT-CHWSQXEVSA-N 2 2 292.383 0.332 20 30 CCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001483175976 895058687 /nfs/dbraw/zinc/05/86/87/895058687.db2.gz YFXQKPWZXKJQNT-CHWSQXEVSA-N 2 2 292.383 0.332 20 30 CCEDLP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483242838 895371999 /nfs/dbraw/zinc/37/19/99/895371999.db2.gz ZTZBIRPQTAVQAT-QWHCGFSZSA-N 2 2 274.368 0.563 20 30 CCEDLP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001485173508 896841404 /nfs/dbraw/zinc/84/14/04/896841404.db2.gz FMMYSAXMUBLPQJ-QWHCGFSZSA-N 2 2 276.384 0.859 20 30 CCEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)CC[NH+](C)C)C1 ZINC001485415527 897044334 /nfs/dbraw/zinc/04/43/34/897044334.db2.gz SVFKGXMQEYASOG-UHFFFAOYSA-N 2 2 269.389 0.067 20 30 CCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485815057 897278188 /nfs/dbraw/zinc/27/81/88/897278188.db2.gz YHSYJWYJTLXSBB-NFAWXSAZSA-N 2 2 286.379 0.973 20 30 CCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485815057 897278200 /nfs/dbraw/zinc/27/82/00/897278200.db2.gz YHSYJWYJTLXSBB-NFAWXSAZSA-N 2 2 286.379 0.973 20 30 CCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077776491 897482058 /nfs/dbraw/zinc/48/20/58/897482058.db2.gz SKOVSMZFLGALKY-RBSFLKMASA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077776491 897482068 /nfs/dbraw/zinc/48/20/68/897482068.db2.gz SKOVSMZFLGALKY-RBSFLKMASA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776491 897482075 /nfs/dbraw/zinc/48/20/75/897482075.db2.gz SKOVSMZFLGALKY-RBSFLKMASA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077776491 897482078 /nfs/dbraw/zinc/48/20/78/897482078.db2.gz SKOVSMZFLGALKY-RBSFLKMASA-N 2 2 295.427 0.597 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992817 898007632 /nfs/dbraw/zinc/00/76/32/898007632.db2.gz DUNXAKRRFRPIPI-HNNXBMFYSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992817 898007643 /nfs/dbraw/zinc/00/76/43/898007643.db2.gz DUNXAKRRFRPIPI-HNNXBMFYSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001485836846 898154396 /nfs/dbraw/zinc/15/43/96/898154396.db2.gz JHDNGESADQQLMK-ZDUSSCGKSA-N 2 2 260.341 0.343 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032784538 898196912 /nfs/dbraw/zinc/19/69/12/898196912.db2.gz AXUIGVXNGLGNFG-ILXRZTDVSA-N 2 2 293.411 0.426 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032784538 898196921 /nfs/dbraw/zinc/19/69/21/898196921.db2.gz AXUIGVXNGLGNFG-ILXRZTDVSA-N 2 2 293.411 0.426 20 30 CCEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001078229699 898305236 /nfs/dbraw/zinc/30/52/36/898305236.db2.gz UQKOBBWDUJJKOR-RBSFLKMASA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001078229699 898305251 /nfs/dbraw/zinc/30/52/51/898305251.db2.gz UQKOBBWDUJJKOR-RBSFLKMASA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001281458825 903915850 /nfs/dbraw/zinc/91/58/50/903915850.db2.gz VNWZQWYGOQNJSK-NEPJUHHUSA-N 2 2 260.341 0.412 20 30 CCEDLP CC#CC[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001281428353 904282385 /nfs/dbraw/zinc/28/23/85/904282385.db2.gz GTEVPFQMSYUHCS-KGLIPLIRSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001282744572 904537654 /nfs/dbraw/zinc/53/76/54/904537654.db2.gz KMMIRZNKASJEIE-NSHDSACASA-N 2 2 260.341 0.261 20 30 CCEDLP COCC#CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001284795364 905435942 /nfs/dbraw/zinc/43/59/42/905435942.db2.gz VBQGQHLXHMQPAN-UHFFFAOYSA-N 2 2 290.367 0.181 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001297292582 907052593 /nfs/dbraw/zinc/05/25/93/907052593.db2.gz ACGFBMNYZHBMTJ-ZDUSSCGKSA-N 2 2 269.389 0.283 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317060820 908951048 /nfs/dbraw/zinc/95/10/48/908951048.db2.gz AKMUBGNESQOTFL-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001319575737 910212374 /nfs/dbraw/zinc/21/23/74/910212374.db2.gz HCZPVQCAEADLQU-GFCCVEGCSA-N 2 2 262.357 0.422 20 30 CCEDLP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320467525 910689397 /nfs/dbraw/zinc/68/93/97/910689397.db2.gz BVNXWYXCFBSSHH-CHWSQXEVSA-N 2 2 274.368 0.563 20 30 CCEDLP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001321560006 911373354 /nfs/dbraw/zinc/37/33/54/911373354.db2.gz KTEJXTHKNKENBW-VXGBXAGGSA-N 2 2 262.357 0.726 20 30 CCEDLP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001322191556 911704389 /nfs/dbraw/zinc/70/43/89/911704389.db2.gz BZRAHUGTNLWBEI-OLZOCXBDSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001322191556 911704404 /nfs/dbraw/zinc/70/44/04/911704404.db2.gz BZRAHUGTNLWBEI-OLZOCXBDSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001336785162 921008170 /nfs/dbraw/zinc/00/81/70/921008170.db2.gz XPYWHWFXPWHLJT-CQSZACIVSA-N 2 2 261.369 0.728 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001340838260 922233039 /nfs/dbraw/zinc/23/30/39/922233039.db2.gz HYBNHRPEKQTDAE-STQMWFEESA-N 2 2 269.389 0.507 20 30 CCEDLP N#CC1(NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000107576866 349738645 /nfs/dbraw/zinc/73/86/45/349738645.db2.gz PKVDHFQWDUBMQC-STQMWFEESA-N 2 2 276.384 0.480 20 30 CCEDLP N#CC1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000602720837 362770792 /nfs/dbraw/zinc/77/07/92/362770792.db2.gz OBQBPQMWDLVGMI-RUXDESIVSA-N 2 2 278.400 0.998 20 30 CCEDLP N#CC1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000602720837 362770803 /nfs/dbraw/zinc/77/08/03/362770803.db2.gz OBQBPQMWDLVGMI-RUXDESIVSA-N 2 2 278.400 0.998 20 30 CCEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)CC#N)C1 ZINC000602860664 362845499 /nfs/dbraw/zinc/84/54/99/362845499.db2.gz DGSUKPNHXJFNOW-KBPBESRZSA-N 2 2 296.415 0.351 20 30 CCEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)CC#N)C1 ZINC000602860664 362845503 /nfs/dbraw/zinc/84/55/03/362845503.db2.gz DGSUKPNHXJFNOW-KBPBESRZSA-N 2 2 296.415 0.351 20 30 CCEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCC#N)CC1 ZINC000066497274 348745849 /nfs/dbraw/zinc/74/58/49/348745849.db2.gz UAWYXNTYLWPLNK-UHFFFAOYSA-N 2 2 252.362 0.431 20 30 CCEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCC#N)CC1 ZINC000066497274 348745851 /nfs/dbraw/zinc/74/58/51/348745851.db2.gz UAWYXNTYLWPLNK-UHFFFAOYSA-N 2 2 252.362 0.431 20 30 CCEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(N)=O ZINC000125119400 350115588 /nfs/dbraw/zinc/11/55/88/350115588.db2.gz DTRRPQUJHWFNTQ-GFCCVEGCSA-N 2 2 286.379 0.986 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000162790131 350753423 /nfs/dbraw/zinc/75/34/23/350753423.db2.gz NPABQARMEMHCFB-CYBMUJFWSA-N 2 2 264.373 0.529 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC#N)CC1 ZINC000162790131 350753427 /nfs/dbraw/zinc/75/34/27/350753427.db2.gz NPABQARMEMHCFB-CYBMUJFWSA-N 2 2 264.373 0.529 20 30 CCEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603910165 363170557 /nfs/dbraw/zinc/17/05/57/363170557.db2.gz LEXBVZYQXBITME-JHJVBQTASA-N 2 2 264.373 0.146 20 30 CCEDLP C=CCNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000261916333 352565700 /nfs/dbraw/zinc/56/57/00/352565700.db2.gz ZLASJROGQQXWGT-CYBMUJFWSA-N 2 2 284.429 0.285 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C(C)C)CC1 ZINC000490778358 358291001 /nfs/dbraw/zinc/29/10/01/358291001.db2.gz FBWZZWVRDSKIPB-UHFFFAOYSA-N 2 2 251.374 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C(C)C)CC1 ZINC000490778358 358291002 /nfs/dbraw/zinc/29/10/02/358291002.db2.gz FBWZZWVRDSKIPB-UHFFFAOYSA-N 2 2 251.374 0.494 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000491781906 358297876 /nfs/dbraw/zinc/29/78/76/358297876.db2.gz LKRLNOUQHIIDRM-BQYQJAHWSA-N 2 2 274.368 0.988 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)/C=C/c1[nH+]ccn1CC ZINC000491781906 358297882 /nfs/dbraw/zinc/29/78/82/358297882.db2.gz LKRLNOUQHIIDRM-BQYQJAHWSA-N 2 2 274.368 0.988 20 30 CCEDLP C[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000573094470 358937449 /nfs/dbraw/zinc/93/74/49/358937449.db2.gz CEAJDGBKNDLCGD-AWEZNQCLSA-N 2 2 287.367 0.343 20 30 CCEDLP CC(C)[N@H+](C)C[C@H](C)NC[C@@H](O)C[NH+](C)CCC#N ZINC000591766747 359656108 /nfs/dbraw/zinc/65/61/08/359656108.db2.gz GUHUACNXRWYOST-UONOGXRCSA-N 2 2 270.421 0.511 20 30 CCEDLP CC(C)[N@@H+](C)C[C@H](C)NC[C@@H](O)C[NH+](C)CCC#N ZINC000591766747 359656109 /nfs/dbraw/zinc/65/61/09/359656109.db2.gz GUHUACNXRWYOST-UONOGXRCSA-N 2 2 270.421 0.511 20 30 CCEDLP CC(C)[NH+](C)C[C@H](C)NC[C@@H](O)C[N@H+](C)CCC#N ZINC000591766747 359656113 /nfs/dbraw/zinc/65/61/13/359656113.db2.gz GUHUACNXRWYOST-UONOGXRCSA-N 2 2 270.421 0.511 20 30 CCEDLP CC(C)[NH+](C)C[C@H](C)NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000591766747 359656115 /nfs/dbraw/zinc/65/61/15/359656115.db2.gz GUHUACNXRWYOST-UONOGXRCSA-N 2 2 270.421 0.511 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cncc(C#N)n3)C2)CC1 ZINC000591912467 359691615 /nfs/dbraw/zinc/69/16/15/359691615.db2.gz SQYBYKKYEKUVSG-GFCCVEGCSA-N 2 2 286.383 0.929 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cncc(C#N)n3)C2)CC1 ZINC000591912467 359691619 /nfs/dbraw/zinc/69/16/19/359691619.db2.gz SQYBYKKYEKUVSG-GFCCVEGCSA-N 2 2 286.383 0.929 20 30 CCEDLP CC1(C)C[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)CCO1 ZINC000594436903 360305560 /nfs/dbraw/zinc/30/55/60/360305560.db2.gz GRRKXFLQPQZAKW-CYBMUJFWSA-N 2 2 296.415 0.625 20 30 CCEDLP CC1(C)C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)CCO1 ZINC000594436903 360305562 /nfs/dbraw/zinc/30/55/62/360305562.db2.gz GRRKXFLQPQZAKW-CYBMUJFWSA-N 2 2 296.415 0.625 20 30 CCEDLP Cc1cc(C#N)nc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596424688 360889864 /nfs/dbraw/zinc/88/98/64/360889864.db2.gz KISGBRBDTGYQHC-UHFFFAOYSA-N 2 2 276.388 0.374 20 30 CCEDLP Cc1cc(C#N)nc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000596424688 360889869 /nfs/dbraw/zinc/88/98/69/360889869.db2.gz KISGBRBDTGYQHC-UHFFFAOYSA-N 2 2 276.388 0.374 20 30 CCEDLP C#CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000490761998 261203582 /nfs/dbraw/zinc/20/35/82/261203582.db2.gz ZBXQAPVLZPIVLU-OAHLLOKOSA-N 2 2 295.427 0.415 20 30 CCEDLP C#CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000490761998 261203584 /nfs/dbraw/zinc/20/35/84/261203584.db2.gz ZBXQAPVLZPIVLU-OAHLLOKOSA-N 2 2 295.427 0.415 20 30 CCEDLP CC#CC[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000641767735 377453046 /nfs/dbraw/zinc/45/30/46/377453046.db2.gz PXPVMJZGTLXWEU-NSHDSACASA-N 2 2 250.346 0.350 20 30 CCEDLP C[NH+](CC#CC[N@@H+](C)Cc1cnccn1)Cc1cnccn1 ZINC000278704514 194112792 /nfs/dbraw/zinc/11/27/92/194112792.db2.gz TZHXAVWEMADXDL-UHFFFAOYSA-N 2 2 296.378 0.834 20 30 CCEDLP C[NH+](CC#CC[N@H+](C)Cc1cnccn1)Cc1cnccn1 ZINC000278704514 194112794 /nfs/dbraw/zinc/11/27/94/194112794.db2.gz TZHXAVWEMADXDL-UHFFFAOYSA-N 2 2 296.378 0.834 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000293679888 388986551 /nfs/dbraw/zinc/98/65/51/388986551.db2.gz AVOVQYLXDQBGIC-UONOGXRCSA-N 2 2 274.368 0.906 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000293679888 388986553 /nfs/dbraw/zinc/98/65/53/388986553.db2.gz AVOVQYLXDQBGIC-UONOGXRCSA-N 2 2 274.368 0.906 20 30 CCEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000305102762 389084552 /nfs/dbraw/zinc/08/45/52/389084552.db2.gz YLIJGGPISQSPKX-GJZGRUSLSA-N 2 2 268.401 0.968 20 30 CCEDLP C=CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000305102762 389084555 /nfs/dbraw/zinc/08/45/55/389084555.db2.gz YLIJGGPISQSPKX-GJZGRUSLSA-N 2 2 268.401 0.968 20 30 CCEDLP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000305102760 389084806 /nfs/dbraw/zinc/08/48/06/389084806.db2.gz YLIJGGPISQSPKX-CABCVRRESA-N 2 2 268.401 0.968 20 30 CCEDLP C=CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000305102760 389084809 /nfs/dbraw/zinc/08/48/09/389084809.db2.gz YLIJGGPISQSPKX-CABCVRRESA-N 2 2 268.401 0.968 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000338960652 389119787 /nfs/dbraw/zinc/11/97/87/389119787.db2.gz NFSNXSVHPDYTEU-UHFFFAOYSA-N 2 2 281.400 0.429 20 30 CCEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000114199082 389130904 /nfs/dbraw/zinc/13/09/04/389130904.db2.gz PBPIMHNBPTZYJS-AWEZNQCLSA-N 2 2 291.399 0.526 20 30 CCEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000114199082 389130909 /nfs/dbraw/zinc/13/09/09/389130909.db2.gz PBPIMHNBPTZYJS-AWEZNQCLSA-N 2 2 291.399 0.526 20 30 CCEDLP C[NH+](C)C[C@@H]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330280865 389219721 /nfs/dbraw/zinc/21/97/21/389219721.db2.gz TVGYNTUVAQTOKJ-QWHCGFSZSA-N 2 2 291.399 0.995 20 30 CCEDLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330280865 389219722 /nfs/dbraw/zinc/21/97/22/389219722.db2.gz TVGYNTUVAQTOKJ-QWHCGFSZSA-N 2 2 291.399 0.995 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245928053 389221422 /nfs/dbraw/zinc/22/14/22/389221422.db2.gz OZQIODQITPOQFM-CABCVRRESA-N 2 2 294.443 0.389 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245928053 389221426 /nfs/dbraw/zinc/22/14/26/389221426.db2.gz OZQIODQITPOQFM-CABCVRRESA-N 2 2 294.443 0.389 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246738137 389231879 /nfs/dbraw/zinc/23/18/79/389231879.db2.gz MMDUXUNGJASHCZ-KGLIPLIRSA-N 2 2 281.400 0.331 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246738137 389231881 /nfs/dbraw/zinc/23/18/81/389231881.db2.gz MMDUXUNGJASHCZ-KGLIPLIRSA-N 2 2 281.400 0.331 20 30 CCEDLP C[C@@H]1C[NH+]=C(NCc2cccnc2-n2cc[nH+]c2)N1 ZINC000262683601 389293411 /nfs/dbraw/zinc/29/34/11/389293411.db2.gz XJCKZXYKPYNQIK-SNVBAGLBSA-N 2 2 256.313 0.705 20 30 CCEDLP COCCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000264071053 389305026 /nfs/dbraw/zinc/30/50/26/389305026.db2.gz GFOBNVBECVRUCJ-CQSZACIVSA-N 2 2 294.399 0.849 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374208864 389559121 /nfs/dbraw/zinc/55/91/21/389559121.db2.gz NVYDSKLSGHXZDA-LLVKDONJSA-N 2 2 260.341 0.727 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374208864 389559124 /nfs/dbraw/zinc/55/91/24/389559124.db2.gz NVYDSKLSGHXZDA-LLVKDONJSA-N 2 2 260.341 0.727 20 30 CCEDLP C=CC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000182899523 389720503 /nfs/dbraw/zinc/72/05/03/389720503.db2.gz OBPPGRUCZCSSBR-CYBMUJFWSA-N 2 2 283.397 0.948 20 30 CCEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000182899523 389720507 /nfs/dbraw/zinc/72/05/07/389720507.db2.gz OBPPGRUCZCSSBR-CYBMUJFWSA-N 2 2 283.397 0.948 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000572644149 390794451 /nfs/dbraw/zinc/79/44/51/390794451.db2.gz SWNSIZQTIABOGH-PIGZVRMJSA-N 2 2 263.385 0.988 20 30 CCEDLP C=CCN1CC[C@H]([N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000572644149 390794454 /nfs/dbraw/zinc/79/44/54/390794454.db2.gz SWNSIZQTIABOGH-PIGZVRMJSA-N 2 2 263.385 0.988 20 30 CCEDLP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000528389583 390739841 /nfs/dbraw/zinc/73/98/41/390739841.db2.gz MYPZPOUDTWIZJX-HUUCEWRRSA-N 2 2 293.411 0.695 20 30 CCEDLP N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000528389583 390739843 /nfs/dbraw/zinc/73/98/43/390739843.db2.gz MYPZPOUDTWIZJX-HUUCEWRRSA-N 2 2 293.411 0.695 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662659058 414738286 /nfs/dbraw/zinc/73/82/86/414738286.db2.gz NFFGVINLELJFIR-CQSZACIVSA-N 2 2 267.373 0.133 20 30 CCEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000347125377 226035471 /nfs/dbraw/zinc/03/54/71/226035471.db2.gz QNJJRGUOEAOUBJ-CYBMUJFWSA-N 2 2 278.400 0.965 20 30 CCEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000347125377 226035476 /nfs/dbraw/zinc/03/54/76/226035476.db2.gz QNJJRGUOEAOUBJ-CYBMUJFWSA-N 2 2 278.400 0.965 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161309995 544704983 /nfs/dbraw/zinc/70/49/83/544704983.db2.gz GCXCPUPKQSFQLS-UHFFFAOYSA-N 2 2 260.341 0.506 20 30 CCEDLP C#CC[N@@H+](CC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000490761998 261203579 /nfs/dbraw/zinc/20/35/79/261203579.db2.gz ZBXQAPVLZPIVLU-OAHLLOKOSA-N 2 2 295.427 0.415 20 30 CCEDLP C#CC[N@H+](CC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000490761998 261203581 /nfs/dbraw/zinc/20/35/81/261203581.db2.gz ZBXQAPVLZPIVLU-OAHLLOKOSA-N 2 2 295.427 0.415 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)C2CCC2)CC1 ZINC000490853851 261230980 /nfs/dbraw/zinc/23/09/80/261230980.db2.gz VHMOPJTVKRPCDR-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)C2CCC2)CC1 ZINC000490853851 261230983 /nfs/dbraw/zinc/23/09/83/261230983.db2.gz VHMOPJTVKRPCDR-UHFFFAOYSA-N 2 2 263.385 0.638 20 30 CCEDLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000330981587 264102415 /nfs/dbraw/zinc/10/24/15/264102415.db2.gz NYKHNYCNMNCSFB-UHFFFAOYSA-N 2 2 295.387 0.223 20 30 CCEDLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@@H](O)C[NH+](C)CCC#N ZINC000577602667 327275873 /nfs/dbraw/zinc/27/58/73/327275873.db2.gz JOLFXTBQPOSPEC-BZUAXINKSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@@H](O)C[NH+](C)CCC#N ZINC000577602667 327275874 /nfs/dbraw/zinc/27/58/74/327275874.db2.gz JOLFXTBQPOSPEC-BZUAXINKSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC[C@@H](O)C[N@H+](C)CCC#N ZINC000577602667 327275875 /nfs/dbraw/zinc/27/58/75/327275875.db2.gz JOLFXTBQPOSPEC-BZUAXINKSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000577602667 327275876 /nfs/dbraw/zinc/27/58/76/327275876.db2.gz JOLFXTBQPOSPEC-BZUAXINKSA-N 2 2 296.459 0.903 20 30 CCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262471194 330015598 /nfs/dbraw/zinc/01/55/98/330015598.db2.gz OGSRZZJPPRMMTA-OLZOCXBDSA-N 3 2 290.415 0.587 20 30 CCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262471194 330015599 /nfs/dbraw/zinc/01/55/99/330015599.db2.gz OGSRZZJPPRMMTA-OLZOCXBDSA-N 3 2 290.415 0.587 20 30 CCEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCN[C@@H]2C(=O)OCC)CC1 ZINC000422979367 330162536 /nfs/dbraw/zinc/16/25/36/330162536.db2.gz MJYVOOSHYXFICM-GJZGRUSLSA-N 2 2 295.427 0.910 20 30 CCEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000424138362 330276483 /nfs/dbraw/zinc/27/64/83/330276483.db2.gz QCCVCEXIWQVHQJ-CYBMUJFWSA-N 2 2 287.367 0.751 20 30 CCEDLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424178041 330317773 /nfs/dbraw/zinc/31/77/73/330317773.db2.gz VVGLWXXETBUQIB-GFCCVEGCSA-N 2 2 263.345 0.753 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000490852046 332120751 /nfs/dbraw/zinc/12/07/51/332120751.db2.gz KNCSMADRXLYBDU-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP C#C[C@@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000491657542 332268690 /nfs/dbraw/zinc/26/86/90/332268690.db2.gz GLLUPCHLKWLTEN-CABCVRRESA-N 2 2 295.427 0.413 20 30 CCEDLP C#C[C@@H](C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000491657542 332268691 /nfs/dbraw/zinc/26/86/91/332268691.db2.gz GLLUPCHLKWLTEN-CABCVRRESA-N 2 2 295.427 0.413 20 30 CCEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000491657542 332268692 /nfs/dbraw/zinc/26/86/92/332268692.db2.gz GLLUPCHLKWLTEN-CABCVRRESA-N 2 2 295.427 0.413 20 30 CCEDLP C#C[C@@H](C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000491657542 332268693 /nfs/dbraw/zinc/26/86/93/332268693.db2.gz GLLUPCHLKWLTEN-CABCVRRESA-N 2 2 295.427 0.413 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)CO[C@H](C)Cc2[nH]cc[nH+]2)CC1 ZINC000491694627 332290660 /nfs/dbraw/zinc/29/06/60/332290660.db2.gz GJOARZMDBLHPDV-CYBMUJFWSA-N 2 2 290.367 0.135 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000491728701 332311359 /nfs/dbraw/zinc/31/13/59/332311359.db2.gz IVCGNPQYZIYWSZ-GPANFISMSA-N 2 2 289.423 0.932 20 30 CCEDLP C#C[C@@H]1COCC[NH+]1CCCC[N@H+]1CCOC[C@H]1C#C ZINC000491732790 332313833 /nfs/dbraw/zinc/31/38/33/332313833.db2.gz QUVFBCIYKSGWGO-HZPDHXFCSA-N 2 2 276.380 0.435 20 30 CCEDLP C#C[C@@H]1COCC[NH+]1CCCC[N@@H+]1CCOC[C@H]1C#C ZINC000491732790 332313835 /nfs/dbraw/zinc/31/38/35/332313835.db2.gz QUVFBCIYKSGWGO-HZPDHXFCSA-N 2 2 276.380 0.435 20 30 CCEDLP C#C[C@H](CO)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491783288 332346707 /nfs/dbraw/zinc/34/67/07/332346707.db2.gz NNRAOFVEHYZERT-KGLIPLIRSA-N 2 2 287.363 0.598 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)CC2CC2)CC1 ZINC000491802247 332356668 /nfs/dbraw/zinc/35/66/68/332356668.db2.gz FYFSMEMBMBGXAK-UHFFFAOYSA-N 2 2 278.356 0.062 20 30 CCEDLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000520834998 333084058 /nfs/dbraw/zinc/08/40/58/333084058.db2.gz USAUZHJNWSEXHX-UHFFFAOYSA-N 2 2 275.356 0.640 20 30 CCEDLP C#CC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000192229520 333233133 /nfs/dbraw/zinc/23/31/33/333233133.db2.gz JVPUXBWYMPIOAX-AWEZNQCLSA-N 2 2 281.400 0.024 20 30 CCEDLP C#CC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000192229520 333233135 /nfs/dbraw/zinc/23/31/35/333233135.db2.gz JVPUXBWYMPIOAX-AWEZNQCLSA-N 2 2 281.400 0.024 20 30 CCEDLP C#CC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000192229520 333233137 /nfs/dbraw/zinc/23/31/37/333233137.db2.gz 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20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000753703530 581551705 /nfs/dbraw/zinc/55/17/05/581551705.db2.gz FLLZYHGUEMKNNP-NFAWXSAZSA-N 2 2 275.396 0.825 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000753703530 581551706 /nfs/dbraw/zinc/55/17/06/581551706.db2.gz FLLZYHGUEMKNNP-NFAWXSAZSA-N 2 2 275.396 0.825 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000753820426 581559623 /nfs/dbraw/zinc/55/96/23/581559623.db2.gz SBOXLNDIKZTITB-CYBMUJFWSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000730097507 581645230 /nfs/dbraw/zinc/64/52/30/581645230.db2.gz CJXSNGUUVWHOMP-STQMWFEESA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000730097507 581645232 /nfs/dbraw/zinc/64/52/32/581645232.db2.gz CJXSNGUUVWHOMP-STQMWFEESA-N 2 2 260.341 0.485 20 30 CCEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCC#N)C[C@H]1C ZINC000740886346 581722723 /nfs/dbraw/zinc/72/27/23/581722723.db2.gz MZOQSCFDVBIPEW-OLZOCXBDSA-N 2 2 266.389 0.821 20 30 CCEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCC#N)C[C@H]1C ZINC000740886346 581722724 /nfs/dbraw/zinc/72/27/24/581722724.db2.gz MZOQSCFDVBIPEW-OLZOCXBDSA-N 2 2 266.389 0.821 20 30 CCEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCC#N)C[C@H]1C ZINC000740886346 581722725 /nfs/dbraw/zinc/72/27/25/581722725.db2.gz MZOQSCFDVBIPEW-OLZOCXBDSA-N 2 2 266.389 0.821 20 30 CCEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCC#N)C[C@H]1C ZINC000740886346 581722726 /nfs/dbraw/zinc/72/27/26/581722726.db2.gz MZOQSCFDVBIPEW-OLZOCXBDSA-N 2 2 266.389 0.821 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000732277940 581814994 /nfs/dbraw/zinc/81/49/94/581814994.db2.gz SMMHFYULMJJFDY-CQSZACIVSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000732277940 581814996 /nfs/dbraw/zinc/81/49/96/581814996.db2.gz SMMHFYULMJJFDY-CQSZACIVSA-N 2 2 263.385 0.638 20 30 CCEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000747963256 581958155 /nfs/dbraw/zinc/95/81/55/581958155.db2.gz UNDILFODHFWZQR-CYBMUJFWSA-N 2 2 266.389 0.680 20 30 CCEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000747963256 581958156 /nfs/dbraw/zinc/95/81/56/581958156.db2.gz UNDILFODHFWZQR-CYBMUJFWSA-N 2 2 266.389 0.680 20 30 CCEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000747963256 581958157 /nfs/dbraw/zinc/95/81/57/581958157.db2.gz UNDILFODHFWZQR-CYBMUJFWSA-N 2 2 266.389 0.680 20 30 CCEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000747963256 581958158 /nfs/dbraw/zinc/95/81/58/581958158.db2.gz UNDILFODHFWZQR-CYBMUJFWSA-N 2 2 266.389 0.680 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](OCC)C2)CC1 ZINC000748819396 581988821 /nfs/dbraw/zinc/98/88/21/581988821.db2.gz GNAWPRQAQITXOK-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](OCC)C2)CC1 ZINC000748819396 581988822 /nfs/dbraw/zinc/98/88/22/581988822.db2.gz 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0.817 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001085374651 821673141 /nfs/dbraw/zinc/67/31/41/821673141.db2.gz BXLRVKYRBOPQCF-VXGBXAGGSA-N 2 2 260.341 0.602 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085779673 821947013 /nfs/dbraw/zinc/94/70/13/821947013.db2.gz AMFSPPPLKUZALR-LSDHHAIUSA-N 2 2 295.427 0.814 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085779673 821947017 /nfs/dbraw/zinc/94/70/17/821947017.db2.gz AMFSPPPLKUZALR-LSDHHAIUSA-N 2 2 295.427 0.814 20 30 CCEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085779673 821947021 /nfs/dbraw/zinc/94/70/21/821947021.db2.gz AMFSPPPLKUZALR-LSDHHAIUSA-N 2 2 295.427 0.814 20 30 CCEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085779673 821947024 /nfs/dbraw/zinc/94/70/24/821947024.db2.gz AMFSPPPLKUZALR-LSDHHAIUSA-N 2 2 295.427 0.814 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085930080 822025885 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C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001183765205 844085988 /nfs/dbraw/zinc/08/59/88/844085988.db2.gz PVBWWVIVVKNSOK-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP N#Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1Cl ZINC001169066734 836122487 /nfs/dbraw/zinc/12/24/87/836122487.db2.gz HGQBBCFWQAKTBM-SECBINFHSA-N 2 2 277.715 0.654 20 30 CCEDLP CC#CC[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113495508 837135282 /nfs/dbraw/zinc/13/52/82/837135282.db2.gz JLCXCRDAKLAEOU-UHFFFAOYSA-N 2 2 251.374 0.496 20 30 CCEDLP CC#CC[NH+]1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001113495508 837135287 /nfs/dbraw/zinc/13/52/87/837135287.db2.gz JLCXCRDAKLAEOU-UHFFFAOYSA-N 2 2 251.374 0.496 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134616169 839021160 /nfs/dbraw/zinc/02/11/60/839021160.db2.gz BMWVOGXAQDFEPE-UHFFFAOYSA-N 2 2 293.411 0.361 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001135755832 839384160 /nfs/dbraw/zinc/38/41/60/839384160.db2.gz SHYLOSVHPVEVRJ-UHFFFAOYSA-N 2 2 283.335 0.730 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185789144 844460345 /nfs/dbraw/zinc/46/03/45/844460345.db2.gz SNBLUCVBFBEJIE-UONOGXRCSA-N 2 2 274.368 0.591 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727558 839758946 /nfs/dbraw/zinc/75/89/46/839758946.db2.gz LOWYSYLTFBMWID-KBPBESRZSA-N 2 2 292.383 0.090 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727558 839758954 /nfs/dbraw/zinc/75/89/54/839758954.db2.gz LOWYSYLTFBMWID-KBPBESRZSA-N 2 2 292.383 0.090 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036855284 841382311 /nfs/dbraw/zinc/38/23/11/841382311.db2.gz YOTFWNDGRILAFZ-KGLIPLIRSA-N 2 2 286.379 0.898 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036855284 841382321 /nfs/dbraw/zinc/38/23/21/841382321.db2.gz YOTFWNDGRILAFZ-KGLIPLIRSA-N 2 2 286.379 0.898 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940679 841929946 /nfs/dbraw/zinc/92/99/46/841929946.db2.gz ZQROWINDPUNHNP-UONOGXRCSA-N 2 2 292.383 0.401 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940679 841929958 /nfs/dbraw/zinc/92/99/58/841929958.db2.gz ZQROWINDPUNHNP-UONOGXRCSA-N 2 2 292.383 0.401 20 30 CCEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178418842 842845381 /nfs/dbraw/zinc/84/53/81/842845381.db2.gz UWSGATBYHREDHG-IHRRRGAJSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178418842 842845375 /nfs/dbraw/zinc/84/53/75/842845375.db2.gz UWSGATBYHREDHG-IHRRRGAJSA-N 2 2 281.400 0.472 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178852987 842931702 /nfs/dbraw/zinc/93/17/02/842931702.db2.gz IDQATGVKCRZLNH-JSGCOSHPSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178852987 842931710 /nfs/dbraw/zinc/93/17/10/842931710.db2.gz IDQATGVKCRZLNH-JSGCOSHPSA-N 2 2 274.368 0.945 20 30 CCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617704 843027190 /nfs/dbraw/zinc/02/71/90/843027190.db2.gz MFYNBPSXMUYGMA-JSGCOSHPSA-N 2 2 292.383 0.734 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180279838 843141856 /nfs/dbraw/zinc/14/18/56/843141856.db2.gz MPIQITXGGCBMEF-STQMWFEESA-N 2 2 260.341 0.485 20 30 CCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182204187 843748824 /nfs/dbraw/zinc/74/88/24/843748824.db2.gz NMTFOKCZYWLWGT-CYBMUJFWSA-N 2 2 290.367 0.183 20 30 CCEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457873 846295124 /nfs/dbraw/zinc/29/51/24/846295124.db2.gz CIGOTWNARLKUBD-ZDUSSCGKSA-N 2 2 260.341 0.439 20 30 CCEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457873 846295131 /nfs/dbraw/zinc/29/51/31/846295131.db2.gz CIGOTWNARLKUBD-ZDUSSCGKSA-N 2 2 260.341 0.439 20 30 CCEDLP C#CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205952896 847992602 /nfs/dbraw/zinc/99/26/02/847992602.db2.gz FTSYNZJMCVKUEQ-ZIAGYGMSSA-N 2 2 290.363 0.601 20 30 CCEDLP C#CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205952896 847992610 /nfs/dbraw/zinc/99/26/10/847992610.db2.gz FTSYNZJMCVKUEQ-ZIAGYGMSSA-N 2 2 290.363 0.601 20 30 CCEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114389173 848032715 /nfs/dbraw/zinc/03/27/15/848032715.db2.gz OJHRXODPDSKKOI-NHAGDIPZSA-N 2 2 274.368 0.965 20 30 CCEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114389173 848032722 /nfs/dbraw/zinc/03/27/22/848032722.db2.gz OJHRXODPDSKKOI-NHAGDIPZSA-N 2 2 274.368 0.965 20 30 CCEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114389173 848032728 /nfs/dbraw/zinc/03/27/28/848032728.db2.gz OJHRXODPDSKKOI-NHAGDIPZSA-N 2 2 274.368 0.965 20 30 CCEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114389173 848032731 /nfs/dbraw/zinc/03/27/31/848032731.db2.gz OJHRXODPDSKKOI-NHAGDIPZSA-N 2 2 274.368 0.965 20 30 CCEDLP C=CCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000717417529 848258004 /nfs/dbraw/zinc/25/80/04/848258004.db2.gz PMPYOCZMYSENOX-ZDUSSCGKSA-N 2 2 256.390 0.702 20 30 CCEDLP C=CCC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000717417529 848258014 /nfs/dbraw/zinc/25/80/14/848258014.db2.gz PMPYOCZMYSENOX-ZDUSSCGKSA-N 2 2 256.390 0.702 20 30 CCEDLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC#N ZINC001274031260 848310904 /nfs/dbraw/zinc/31/09/04/848310904.db2.gz LXFOOXMBAMRPCJ-CHWSQXEVSA-N 2 2 264.373 0.527 20 30 CCEDLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC#N ZINC001274031260 848310912 /nfs/dbraw/zinc/31/09/12/848310912.db2.gz LXFOOXMBAMRPCJ-CHWSQXEVSA-N 2 2 264.373 0.527 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCF ZINC001038369300 849868029 /nfs/dbraw/zinc/86/80/29/849868029.db2.gz UOPAHSAFEJLCKZ-KBPBESRZSA-N 2 2 281.375 0.634 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCF ZINC001038369300 849868032 /nfs/dbraw/zinc/86/80/32/849868032.db2.gz UOPAHSAFEJLCKZ-KBPBESRZSA-N 2 2 281.375 0.634 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCF ZINC001038369300 849868036 /nfs/dbraw/zinc/86/80/36/849868036.db2.gz UOPAHSAFEJLCKZ-KBPBESRZSA-N 2 2 281.375 0.634 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCF ZINC001038369300 849868041 /nfs/dbraw/zinc/86/80/41/849868041.db2.gz UOPAHSAFEJLCKZ-KBPBESRZSA-N 2 2 281.375 0.634 20 30 CCEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038414653 849886872 /nfs/dbraw/zinc/88/68/72/849886872.db2.gz BINJSYKRECZNGA-KBPBESRZSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038414653 849886878 /nfs/dbraw/zinc/88/68/78/849886878.db2.gz BINJSYKRECZNGA-KBPBESRZSA-N 2 2 286.379 0.659 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039046018 850137864 /nfs/dbraw/zinc/13/78/64/850137864.db2.gz JZJHELVPPCSTBL-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039046018 850137866 /nfs/dbraw/zinc/13/78/66/850137866.db2.gz JZJHELVPPCSTBL-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039046018 850137869 /nfs/dbraw/zinc/13/78/69/850137869.db2.gz JZJHELVPPCSTBL-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039046018 850137871 /nfs/dbraw/zinc/13/78/71/850137871.db2.gz JZJHELVPPCSTBL-STQMWFEESA-N 2 2 267.373 0.084 20 30 CCEDLP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855857 850512664 /nfs/dbraw/zinc/51/26/64/850512664.db2.gz QOKLFXMTOPCCJP-INIZCTEOSA-N 2 2 286.379 0.831 20 30 CCEDLP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855857 850512668 /nfs/dbraw/zinc/51/26/68/850512668.db2.gz QOKLFXMTOPCCJP-INIZCTEOSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042247374 850603132 /nfs/dbraw/zinc/60/31/32/850603132.db2.gz NMWRTXMOOGEMRB-UKRRQHHQSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042247374 850603137 /nfs/dbraw/zinc/60/31/37/850603137.db2.gz NMWRTXMOOGEMRB-UKRRQHHQSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001044822114 851165275 /nfs/dbraw/zinc/16/52/75/851165275.db2.gz FPYNWWNKGYRDLX-OLZOCXBDSA-N 2 2 274.368 0.565 20 30 CCEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001045397613 851251080 /nfs/dbraw/zinc/25/10/80/851251080.db2.gz IRGZLXCMTSSAKY-AWEZNQCLSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397613 851251092 /nfs/dbraw/zinc/25/10/92/851251092.db2.gz IRGZLXCMTSSAKY-AWEZNQCLSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096350824 851948392 /nfs/dbraw/zinc/94/83/92/851948392.db2.gz VUWJXWPQIGRCPC-XBFCOCLRSA-N 2 2 272.352 0.317 20 30 CCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096350824 851948396 /nfs/dbraw/zinc/94/83/96/851948396.db2.gz VUWJXWPQIGRCPC-XBFCOCLRSA-N 2 2 272.352 0.317 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048906110 852104865 /nfs/dbraw/zinc/10/48/65/852104865.db2.gz HGENIHQVHGINDU-KFWWJZLASA-N 2 2 298.390 0.469 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048906110 852104866 /nfs/dbraw/zinc/10/48/66/852104866.db2.gz HGENIHQVHGINDU-KFWWJZLASA-N 2 2 298.390 0.469 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001049191563 852189598 /nfs/dbraw/zinc/18/95/98/852189598.db2.gz YKPNWKIGMIKPSC-BETUJISGSA-N 2 2 274.368 0.837 20 30 CCEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001049191563 852189604 /nfs/dbraw/zinc/18/96/04/852189604.db2.gz YKPNWKIGMIKPSC-BETUJISGSA-N 2 2 274.368 0.837 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049932101 852400192 /nfs/dbraw/zinc/40/01/92/852400192.db2.gz LUSGPUKKJKJNJX-ZIAGYGMSSA-N 2 2 272.352 0.582 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049932101 852400198 /nfs/dbraw/zinc/40/01/98/852400198.db2.gz LUSGPUKKJKJNJX-ZIAGYGMSSA-N 2 2 272.352 0.582 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC ZINC001097249211 852519525 /nfs/dbraw/zinc/51/95/25/852519525.db2.gz PBERTIRSJANLEA-KBXIAJHMSA-N 2 2 275.396 0.825 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC ZINC001097249211 852519531 /nfs/dbraw/zinc/51/95/31/852519531.db2.gz PBERTIRSJANLEA-KBXIAJHMSA-N 2 2 275.396 0.825 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC ZINC001097249211 852519534 /nfs/dbraw/zinc/51/95/34/852519534.db2.gz PBERTIRSJANLEA-KBXIAJHMSA-N 2 2 275.396 0.825 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC ZINC001097249211 852519538 /nfs/dbraw/zinc/51/95/38/852519538.db2.gz PBERTIRSJANLEA-KBXIAJHMSA-N 2 2 275.396 0.825 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052870602 852666024 /nfs/dbraw/zinc/66/60/24/852666024.db2.gz VVKGENAGSMMHOW-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052870602 852666028 /nfs/dbraw/zinc/66/60/28/852666028.db2.gz VVKGENAGSMMHOW-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)[NH+](C)C)CCO2 ZINC001053430817 852743281 /nfs/dbraw/zinc/74/32/81/852743281.db2.gz CDMWGAQWDIPGQP-AWEZNQCLSA-N 2 2 295.427 0.816 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001054924513 853038638 /nfs/dbraw/zinc/03/86/38/853038638.db2.gz GOUYAIWKTFZOEK-QWHCGFSZSA-N 2 2 274.368 0.422 20 30 CCEDLP CC#CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016008 854515426 /nfs/dbraw/zinc/51/54/26/854515426.db2.gz DWQQYQDJZAETCR-UHFFFAOYSA-N 2 2 272.352 0.510 20 30 CCEDLP CC#CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016008 854515432 /nfs/dbraw/zinc/51/54/32/854515432.db2.gz DWQQYQDJZAETCR-UHFFFAOYSA-N 2 2 272.352 0.510 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099927412 855034727 /nfs/dbraw/zinc/03/47/27/855034727.db2.gz BGHKEXGBJCMPOP-QWHCGFSZSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099927412 855034730 /nfs/dbraw/zinc/03/47/30/855034730.db2.gz BGHKEXGBJCMPOP-QWHCGFSZSA-N 2 2 292.383 0.090 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114956314 855631384 /nfs/dbraw/zinc/63/13/84/855631384.db2.gz FEVOMZOQWQWPCT-RZFFKMDDSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114956314 855631387 /nfs/dbraw/zinc/63/13/87/855631387.db2.gz FEVOMZOQWQWPCT-RZFFKMDDSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114956314 855631389 /nfs/dbraw/zinc/63/13/89/855631389.db2.gz 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C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)CC(C)(C)O)CC1 ZINC000490739843 332110495 /nfs/dbraw/zinc/11/04/95/332110495.db2.gz HDULXAXTEADFQI-UHFFFAOYSA-N 2 2 295.427 0.247 20 30 CCEDLP C#CCNC(=O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000491202320 332164925 /nfs/dbraw/zinc/16/49/25/332164925.db2.gz NQAPQCOZFDGNRO-UHFFFAOYSA-N 2 2 260.341 0.345 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000491526204 332230608 /nfs/dbraw/zinc/23/06/08/332230608.db2.gz YAXXVHZGOODKMV-LSDHHAIUSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000491526204 332230609 /nfs/dbraw/zinc/23/06/09/332230609.db2.gz YAXXVHZGOODKMV-LSDHHAIUSA-N 2 2 277.412 0.884 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000550645165 334226067 /nfs/dbraw/zinc/22/60/67/334226067.db2.gz WCFICECNZOJNEN-QWHCGFSZSA-N 2 2 289.383 0.970 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000550645165 334226068 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C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000732777604 581847730 /nfs/dbraw/zinc/84/77/30/581847730.db2.gz QJZLPKUZQIURBO-ZDUSSCGKSA-N 2 2 281.425 0.249 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC000732777604 581847732 /nfs/dbraw/zinc/84/77/32/581847732.db2.gz QJZLPKUZQIURBO-ZDUSSCGKSA-N 2 2 281.425 0.249 20 30 CCEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCCC#N ZINC000749535106 582011905 /nfs/dbraw/zinc/01/19/05/582011905.db2.gz HOUIRBQHODSWSF-MGPQQGTHSA-N 2 2 294.399 0.200 20 30 CCEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCCC#N ZINC000749535106 582011906 /nfs/dbraw/zinc/01/19/06/582011906.db2.gz HOUIRBQHODSWSF-MGPQQGTHSA-N 2 2 294.399 0.200 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(CO)CCCCC2)CC1 ZINC000776592089 582083276 /nfs/dbraw/zinc/08/32/76/582083276.db2.gz YJLGTOVKKXKCEP-UHFFFAOYSA-N 2 2 293.411 0.049 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857985704 613130811 /nfs/dbraw/zinc/13/08/11/613130811.db2.gz LYWDSMVIVUVBPJ-CYBMUJFWSA-N 2 2 272.352 0.789 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000923563212 613173891 /nfs/dbraw/zinc/17/38/91/613173891.db2.gz KBTVZWNEFHYTAB-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000923563212 613173893 /nfs/dbraw/zinc/17/38/93/613173893.db2.gz KBTVZWNEFHYTAB-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000818621435 613197408 /nfs/dbraw/zinc/19/74/08/613197408.db2.gz VAXDXPLHWYLERG-MJBXVCDLSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000818621435 613197411 /nfs/dbraw/zinc/19/74/11/613197411.db2.gz VAXDXPLHWYLERG-MJBXVCDLSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000818621435 613197414 /nfs/dbraw/zinc/19/74/14/613197414.db2.gz VAXDXPLHWYLERG-MJBXVCDLSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1 ZINC000818621435 613197415 /nfs/dbraw/zinc/19/74/15/613197415.db2.gz VAXDXPLHWYLERG-MJBXVCDLSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947975125 613225547 /nfs/dbraw/zinc/22/55/47/613225547.db2.gz KIPMWLDKQNRMEV-DGCLKSJQSA-N 2 2 274.368 0.863 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947975125 613225548 /nfs/dbraw/zinc/22/55/48/613225548.db2.gz KIPMWLDKQNRMEV-DGCLKSJQSA-N 2 2 274.368 0.863 20 30 CCEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939209758 613351347 /nfs/dbraw/zinc/35/13/47/613351347.db2.gz ITYFOFHZYHCZMP-YPMHNXCESA-N 2 2 262.357 0.965 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000899957738 613364672 /nfs/dbraw/zinc/36/46/72/613364672.db2.gz BJNUUOAEEWBIKC-UHFFFAOYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854727532 613365948 /nfs/dbraw/zinc/36/59/48/613365948.db2.gz LFWULLMATYCVDH-CQSZACIVSA-N 2 2 281.400 0.427 20 30 CCEDLP C=C(Cl)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863548625 613372553 /nfs/dbraw/zinc/37/25/53/613372553.db2.gz UORLISHCULESGU-NEPJUHHUSA-N 2 2 285.775 0.996 20 30 CCEDLP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000970482562 613384855 /nfs/dbraw/zinc/38/48/55/613384855.db2.gz VUVXECVGCOBBTJ-LLVKDONJSA-N 2 2 282.775 0.906 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000876756775 613390053 /nfs/dbraw/zinc/39/00/53/613390053.db2.gz YCMGSAYEMBNVHJ-TUAOUCFPSA-N 2 2 289.807 0.682 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703326 613572599 /nfs/dbraw/zinc/57/25/99/613572599.db2.gz UNBQLWIQOLUBQT-KGLIPLIRSA-N 2 2 274.368 0.733 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703326 613572603 /nfs/dbraw/zinc/57/26/03/613572603.db2.gz UNBQLWIQOLUBQT-KGLIPLIRSA-N 2 2 274.368 0.733 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703328 613575259 /nfs/dbraw/zinc/57/52/59/613575259.db2.gz UNBQLWIQOLUBQT-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968703328 613575261 /nfs/dbraw/zinc/57/52/61/613575261.db2.gz UNBQLWIQOLUBQT-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972732691 613614148 /nfs/dbraw/zinc/61/41/48/613614148.db2.gz LUDVCFHKZWNNSJ-GFCCVEGCSA-N 2 2 262.357 0.681 20 30 CCEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972732691 613614150 /nfs/dbraw/zinc/61/41/50/613614150.db2.gz LUDVCFHKZWNNSJ-GFCCVEGCSA-N 2 2 262.357 0.681 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960662259 613637436 /nfs/dbraw/zinc/63/74/36/613637436.db2.gz QJGUGYHIKOKYBQ-TTZDDIAXSA-N 2 2 298.390 0.515 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960662259 613637438 /nfs/dbraw/zinc/63/74/38/613637438.db2.gz QJGUGYHIKOKYBQ-TTZDDIAXSA-N 2 2 298.390 0.515 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000884013789 613877625 /nfs/dbraw/zinc/87/76/25/613877625.db2.gz RVQNCZHOSOHOBA-SRVKXCTJSA-N 2 2 283.372 0.161 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884470352 613878435 /nfs/dbraw/zinc/87/84/35/613878435.db2.gz LUEVCMMYBGVTEJ-RNJOBUHISA-N 2 2 295.383 0.080 20 30 CCEDLP C[NH+]1CCN(c2ncc(C=[NH+]NC34CC(C3)C4)cn2)CC1 ZINC000842546382 616247463 /nfs/dbraw/zinc/24/74/63/616247463.db2.gz RKOLOOIUWKTINE-UHFFFAOYSA-N 2 2 286.383 0.704 20 30 CCEDLP CON=CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000809721205 617103402 /nfs/dbraw/zinc/10/34/02/617103402.db2.gz VGTHUDLELLLYAH-ZDUSSCGKSA-N 2 2 282.388 0.246 20 30 CCEDLP CON=CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000809721205 617103403 /nfs/dbraw/zinc/10/34/03/617103403.db2.gz VGTHUDLELLLYAH-ZDUSSCGKSA-N 2 2 282.388 0.246 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]12 ZINC001026325255 625398540 /nfs/dbraw/zinc/39/85/40/625398540.db2.gz WPKOCMBOMYBHPW-RBSFLKMASA-N 2 2 286.379 0.733 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020636696 624556680 /nfs/dbraw/zinc/55/66/80/624556680.db2.gz DZZKTWJAUVSZDY-MGCOHNPYSA-N 2 2 268.748 0.942 20 30 CCEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001020927220 624625820 /nfs/dbraw/zinc/62/58/20/624625820.db2.gz JCEKTXAHGDHJEF-HAQNSBGRSA-N 2 2 262.357 0.776 20 30 CCEDLP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[NH2+]1 ZINC000904432487 634746466 /nfs/dbraw/zinc/74/64/66/634746466.db2.gz AMZKNIVRGCLJHU-XJFOESAGSA-N 2 2 297.424 0.245 20 30 CCEDLP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[NH2+]1 ZINC000904432487 634746468 /nfs/dbraw/zinc/74/64/68/634746468.db2.gz AMZKNIVRGCLJHU-XJFOESAGSA-N 2 2 297.424 0.245 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992829896 637616424 /nfs/dbraw/zinc/61/64/24/637616424.db2.gz FTGUMIOMGUBMBF-BPLDGKMQSA-N 2 2 286.379 0.802 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993612668 637820254 /nfs/dbraw/zinc/82/02/54/637820254.db2.gz JDGISHPTBZQAGT-KGLIPLIRSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC000993612668 637820259 /nfs/dbraw/zinc/82/02/59/637820259.db2.gz JDGISHPTBZQAGT-KGLIPLIRSA-N 2 2 274.368 0.794 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994510090 637957484 /nfs/dbraw/zinc/95/74/84/637957484.db2.gz RVIFVFPBFRSPER-ZIAGYGMSSA-N 2 2 274.368 0.876 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994510090 637957492 /nfs/dbraw/zinc/95/74/92/637957492.db2.gz RVIFVFPBFRSPER-ZIAGYGMSSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996653042 638825967 /nfs/dbraw/zinc/82/59/67/638825967.db2.gz XSQSCSLCZBPERO-UHFFFAOYSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996653042 638825969 /nfs/dbraw/zinc/82/59/69/638825969.db2.gz XSQSCSLCZBPERO-UHFFFAOYSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC000996713250 638829611 /nfs/dbraw/zinc/82/96/11/638829611.db2.gz AZOZGSYHDYRNMR-UHFFFAOYSA-N 2 2 287.363 0.847 20 30 CCEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997001348 638847907 /nfs/dbraw/zinc/84/79/07/638847907.db2.gz ZKDRMQKNPBLOAJ-UKRRQHHQSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997001348 638847908 /nfs/dbraw/zinc/84/79/08/638847908.db2.gz ZKDRMQKNPBLOAJ-UKRRQHHQSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000999006855 638953845 /nfs/dbraw/zinc/95/38/45/638953845.db2.gz GPCJPCMGISOSAG-IYXRBSQSSA-N 2 2 286.379 0.658 20 30 CCEDLP CC#CC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001003702092 639597169 /nfs/dbraw/zinc/59/71/69/639597169.db2.gz CFWVZGMDNSOUIQ-UHFFFAOYSA-N 2 2 260.341 0.556 20 30 CCEDLP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016995573 650776125 /nfs/dbraw/zinc/77/61/25/650776125.db2.gz SDMHTYNHCBXNED-AWEZNQCLSA-N 2 2 286.379 0.877 20 30 CCEDLP Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(C)c[nH+]1 ZINC000841168604 642805910 /nfs/dbraw/zinc/80/59/10/642805910.db2.gz NFLIEDPBVWFYMG-CMPLNLGQSA-N 2 2 259.313 0.353 20 30 CCEDLP C[C@@H](C#N)OCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852707792 643989405 /nfs/dbraw/zinc/98/94/05/643989405.db2.gz KXZQRTJXBBQUSA-JSGCOSHPSA-N 2 2 267.373 0.446 20 30 CCEDLP C[C@@H](C#N)OCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852707792 643989414 /nfs/dbraw/zinc/98/94/14/643989414.db2.gz KXZQRTJXBBQUSA-JSGCOSHPSA-N 2 2 267.373 0.446 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001019365782 650966021 /nfs/dbraw/zinc/96/60/21/650966021.db2.gz QWVGLNHILTWCMD-NWDGAFQWSA-N 2 2 272.352 0.653 20 30 CCEDLP C[C@H](C#N)OCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878866511 646991810 /nfs/dbraw/zinc/99/18/10/646991810.db2.gz UGVSXNVMLLZBKM-OLZOCXBDSA-N 2 2 255.362 0.304 20 30 CCEDLP C[C@H](C#N)OCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878866511 646991817 /nfs/dbraw/zinc/99/18/17/646991817.db2.gz UGVSXNVMLLZBKM-OLZOCXBDSA-N 2 2 255.362 0.304 20 30 CCEDLP COCC#CC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438510 805601679 /nfs/dbraw/zinc/60/16/79/805601679.db2.gz TYAUSURCMRBJGK-UHFFFAOYSA-N 2 2 290.367 0.114 20 30 CCEDLP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266252109 790330794 /nfs/dbraw/zinc/33/07/94/790330794.db2.gz NAEDIZMQLYNLHJ-CQSZACIVSA-N 2 2 292.383 0.666 20 30 CCEDLP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266252109 790330808 /nfs/dbraw/zinc/33/08/08/790330808.db2.gz NAEDIZMQLYNLHJ-CQSZACIVSA-N 2 2 292.383 0.666 20 30 CCEDLP C#CCC[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001266438473 790704368 /nfs/dbraw/zinc/70/43/68/790704368.db2.gz AALOUHXEALSHMG-AWEZNQCLSA-N 2 2 274.368 0.768 20 30 CCEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041754652 790957691 /nfs/dbraw/zinc/95/76/91/790957691.db2.gz CJUZTAAHWVEAIO-HNNXBMFYSA-N 2 2 272.352 0.510 20 30 CCEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041754652 790957703 /nfs/dbraw/zinc/95/77/03/790957703.db2.gz CJUZTAAHWVEAIO-HNNXBMFYSA-N 2 2 272.352 0.510 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167428963 791063916 /nfs/dbraw/zinc/06/39/16/791063916.db2.gz NSUSEAOAGFHDBX-CYBMUJFWSA-N 2 2 262.357 0.953 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038257335 791673620 /nfs/dbraw/zinc/67/36/20/791673620.db2.gz AHNHZNUWAAFHDH-KGLIPLIRSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001038257335 791673625 /nfs/dbraw/zinc/67/36/25/791673625.db2.gz AHNHZNUWAAFHDH-KGLIPLIRSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038257335 791673630 /nfs/dbraw/zinc/67/36/30/791673630.db2.gz AHNHZNUWAAFHDH-KGLIPLIRSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001038257335 791673635 /nfs/dbraw/zinc/67/36/35/791673635.db2.gz AHNHZNUWAAFHDH-KGLIPLIRSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010884 806168245 /nfs/dbraw/zinc/16/82/45/806168245.db2.gz IPDXSLBSOHQOTA-CYBMUJFWSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010884 806168251 /nfs/dbraw/zinc/16/82/51/806168251.db2.gz IPDXSLBSOHQOTA-CYBMUJFWSA-N 2 2 274.368 0.898 20 30 CCEDLP C[NH+](C)CCN1CCO[C@@]2(CCC[N@H+](CCC#N)C2)C1 ZINC001277938552 806410571 /nfs/dbraw/zinc/41/05/71/806410571.db2.gz AEUZCUWTRGBVAW-OAHLLOKOSA-N 2 2 280.416 0.628 20 30 CCEDLP C[NH+](C)CCN1CCO[C@@]2(CCC[N@@H+](CCC#N)C2)C1 ZINC001277938552 806410574 /nfs/dbraw/zinc/41/05/74/806410574.db2.gz AEUZCUWTRGBVAW-OAHLLOKOSA-N 2 2 280.416 0.628 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149652377 800288788 /nfs/dbraw/zinc/28/87/88/800288788.db2.gz AHESTMVWLUQNDT-CYBMUJFWSA-N 2 2 292.383 0.735 20 30 CCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149652377 800288791 /nfs/dbraw/zinc/28/87/91/800288791.db2.gz AHESTMVWLUQNDT-CYBMUJFWSA-N 2 2 292.383 0.735 20 30 CCEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150506825 800342566 /nfs/dbraw/zinc/34/25/66/800342566.db2.gz APKGFVBCXGSSJU-ZDUSSCGKSA-N 2 2 292.383 0.735 20 30 CCEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150506825 800342572 /nfs/dbraw/zinc/34/25/72/800342572.db2.gz APKGFVBCXGSSJU-ZDUSSCGKSA-N 2 2 292.383 0.735 20 30 CCEDLP N#CCc1cc[nH+]c(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001155515620 800997320 /nfs/dbraw/zinc/99/73/20/800997320.db2.gz FVBOPXFLWHNKGK-JSGCOSHPSA-N 2 2 258.325 0.796 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001157495376 801401184 /nfs/dbraw/zinc/40/11/84/801401184.db2.gz KFTCOILSLHEZML-HOCLYGCPSA-N 2 2 271.364 0.852 20 30 CCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001157495376 801401188 /nfs/dbraw/zinc/40/11/88/801401188.db2.gz KFTCOILSLHEZML-HOCLYGCPSA-N 2 2 271.364 0.852 20 30 CCEDLP Cc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc(C#N)n1 ZINC001158260916 801608895 /nfs/dbraw/zinc/60/88/95/801608895.db2.gz HTKDBLJUDWTUMY-LBPRGKRZSA-N 2 2 286.383 0.659 20 30 CCEDLP Cc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc(C#N)n1 ZINC001158260916 801608897 /nfs/dbraw/zinc/60/88/97/801608897.db2.gz HTKDBLJUDWTUMY-LBPRGKRZSA-N 2 2 286.383 0.659 20 30 CCEDLP N#Cc1cccnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258513 801609092 /nfs/dbraw/zinc/60/90/92/801609092.db2.gz BBXJADZULFENEG-CYBMUJFWSA-N 2 2 271.368 0.955 20 30 CCEDLP N#Cc1cccnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258513 801609097 /nfs/dbraw/zinc/60/90/97/801609097.db2.gz BBXJADZULFENEG-CYBMUJFWSA-N 2 2 271.368 0.955 20 30 CCEDLP C=C(C)CN(CC)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160687851 802001398 /nfs/dbraw/zinc/00/13/98/802001398.db2.gz JLWWRNQWADBPFY-LBPRGKRZSA-N 2 2 250.346 0.715 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161309669 802123736 /nfs/dbraw/zinc/12/37/36/802123736.db2.gz OPURUVSNBOVQLH-CYBMUJFWSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161327908 802126912 /nfs/dbraw/zinc/12/69/12/802126912.db2.gz AZGFTBKVWVTBFJ-UHFFFAOYSA-N 2 2 272.352 0.724 20 30 CCEDLP C#CC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161327908 802126919 /nfs/dbraw/zinc/12/69/19/802126919.db2.gz AZGFTBKVWVTBFJ-UHFFFAOYSA-N 2 2 272.352 0.724 20 30 CCEDLP C[NH+]1CCC(C#N)(Nc2ncc3c(n2)C[NH2+]C3)CC1 ZINC001162226882 802293246 /nfs/dbraw/zinc/29/32/46/802293246.db2.gz BQPBNNPQAYBQQB-UHFFFAOYSA-N 2 2 258.329 0.480 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166408482 802906458 /nfs/dbraw/zinc/90/64/58/802906458.db2.gz URJUZCJFFYZRKM-LBPRGKRZSA-N 2 2 274.368 0.949 20 30 CCEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001276439933 803063783 /nfs/dbraw/zinc/06/37/83/803063783.db2.gz MVWYKDHGWWKXON-NSHDSACASA-N 2 2 260.341 0.412 20 30 CCEDLP CC#CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206411492 803239586 /nfs/dbraw/zinc/23/95/86/803239586.db2.gz SRKXIIIALAHXCV-UHFFFAOYSA-N 2 2 274.368 0.804 20 30 CCEDLP C=CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970914 803319861 /nfs/dbraw/zinc/31/98/61/803319861.db2.gz PICHOVARKDUHFE-UHFFFAOYSA-N 2 2 262.357 0.897 20 30 CCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210898766 803663999 /nfs/dbraw/zinc/66/39/99/803663999.db2.gz CDDRHZNLYUYNEH-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210900964 803664019 /nfs/dbraw/zinc/66/40/19/803664019.db2.gz XCRDACLLESAOMK-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP N#Cc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)ccc1O ZINC001218954751 804165378 /nfs/dbraw/zinc/16/53/78/804165378.db2.gz RKNISBSVTWNLOB-UHFFFAOYSA-N 2 2 260.297 0.283 20 30 CCEDLP N#Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(C#N)c1 ZINC001219393819 804299342 /nfs/dbraw/zinc/29/93/42/804299342.db2.gz ROPYGUSKSHAJDU-LBPRGKRZSA-N 2 2 280.291 0.662 20 30 CCEDLP N#Cc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2cccnc12 ZINC001219467681 804324501 /nfs/dbraw/zinc/32/45/01/804324501.db2.gz NFNDMRYRLUWTJM-MFKMUULPSA-N 2 2 281.319 0.734 20 30 CCEDLP N#C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccccc1 ZINC001219557983 804348468 /nfs/dbraw/zinc/34/84/68/804348468.db2.gz IGRSHGRSHZUSQL-IGQOVBAYSA-N 2 2 270.336 0.317 20 30 CCEDLP N=C(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc2cc(O)ccc2c1 ZINC001220634274 804640698 /nfs/dbraw/zinc/64/06/98/804640698.db2.gz KEDHWDKMLXWPDB-OCCSQVGLSA-N 2 2 298.346 0.467 20 30 CCEDLP C=CCOc1ccccc1[C@H](C)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220663698 804645857 /nfs/dbraw/zinc/64/58/57/804645857.db2.gz LKSRHSKRMDXPNN-UBHSHLNASA-N 2 2 289.379 0.975 20 30 CCEDLP C#CCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001272152128 815031740 /nfs/dbraw/zinc/03/17/40/815031740.db2.gz PKFIUKJALHFVJY-UHFFFAOYSA-N 2 2 262.357 0.376 20 30 CCEDLP C#CCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001272152128 815031744 /nfs/dbraw/zinc/03/17/44/815031744.db2.gz PKFIUKJALHFVJY-UHFFFAOYSA-N 2 2 262.357 0.376 20 30 CCEDLP N#Cc1ccnc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c1 ZINC001222099791 804867528 /nfs/dbraw/zinc/86/75/28/804867528.db2.gz KWJONSHVOYAQIQ-UHFFFAOYSA-N 2 2 271.368 0.481 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1C ZINC001088631845 815043077 /nfs/dbraw/zinc/04/30/77/815043077.db2.gz JIPQZVCJVWVDRS-RDBSUJKOSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1C ZINC001088631845 815043084 /nfs/dbraw/zinc/04/30/84/815043084.db2.gz JIPQZVCJVWVDRS-RDBSUJKOSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)[C@@H]1C ZINC001088631845 815043090 /nfs/dbraw/zinc/04/30/90/815043090.db2.gz JIPQZVCJVWVDRS-RDBSUJKOSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)[C@@H]1C ZINC001088631845 815043096 /nfs/dbraw/zinc/04/30/96/815043096.db2.gz JIPQZVCJVWVDRS-RDBSUJKOSA-N 2 2 263.385 0.683 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001226734845 805275531 /nfs/dbraw/zinc/27/55/31/805275531.db2.gz OFJSUEZARWPGRQ-GFCCVEGCSA-N 2 2 275.356 0.062 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228801284 805481505 /nfs/dbraw/zinc/48/15/05/805481505.db2.gz XIGQQFIPKHDDCL-ZIAGYGMSSA-N 2 2 274.368 0.993 20 30 CCEDLP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278377029 807051598 /nfs/dbraw/zinc/05/15/98/807051598.db2.gz CEQCMUMLHTVNDT-GXTWGEPZSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278377029 807051601 /nfs/dbraw/zinc/05/16/01/807051601.db2.gz CEQCMUMLHTVNDT-GXTWGEPZSA-N 2 2 274.368 0.945 20 30 CCEDLP C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCC ZINC001246300804 807213269 /nfs/dbraw/zinc/21/32/69/807213269.db2.gz OZSLZVJUYFPOMM-LALPHHSUSA-N 2 2 279.384 0.178 20 30 CCEDLP C#CCOC[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001251890638 807736543 /nfs/dbraw/zinc/73/65/43/807736543.db2.gz FBAJDUBREFJNBT-OAHLLOKOSA-N 2 2 289.379 0.651 20 30 CCEDLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC#CCOC ZINC001263819596 809578467 /nfs/dbraw/zinc/57/84/67/809578467.db2.gz XSJFHOQXPAKPCT-HNNXBMFYSA-N 2 2 295.427 0.511 20 30 CCEDLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC#CCOC ZINC001263819596 809578472 /nfs/dbraw/zinc/57/84/72/809578472.db2.gz XSJFHOQXPAKPCT-HNNXBMFYSA-N 2 2 295.427 0.511 20 30 CCEDLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#CCOC ZINC001263819596 809578478 /nfs/dbraw/zinc/57/84/78/809578478.db2.gz XSJFHOQXPAKPCT-HNNXBMFYSA-N 2 2 295.427 0.511 20 30 CCEDLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#CCOC ZINC001263819596 809578482 /nfs/dbraw/zinc/57/84/82/809578482.db2.gz XSJFHOQXPAKPCT-HNNXBMFYSA-N 2 2 295.427 0.511 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001265791847 809854902 /nfs/dbraw/zinc/85/49/02/809854902.db2.gz BUDVFPFWDTYFJP-QWHCGFSZSA-N 2 2 274.368 0.563 20 30 CCEDLP C#CC[NH2+]CCOCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001279450169 809979918 /nfs/dbraw/zinc/97/99/18/809979918.db2.gz HIVWURUDUTWDRP-UHFFFAOYSA-N 2 2 292.383 0.385 20 30 CCEDLP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001280381621 810013735 /nfs/dbraw/zinc/01/37/35/810013735.db2.gz RUBXTOGXCQFFAU-HDJSIYSDSA-N 2 2 274.368 0.781 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001267307635 811130754 /nfs/dbraw/zinc/13/07/54/811130754.db2.gz VGVGNCZHRTYPBF-ZDUSSCGKSA-N 2 2 274.368 0.424 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001267307635 811130761 /nfs/dbraw/zinc/13/07/61/811130761.db2.gz VGVGNCZHRTYPBF-ZDUSSCGKSA-N 2 2 274.368 0.424 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268007320 811944881 /nfs/dbraw/zinc/94/48/81/811944881.db2.gz VVDOPLWIXOKWJB-STQMWFEESA-N 2 2 276.384 0.954 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268007320 811944886 /nfs/dbraw/zinc/94/48/86/811944886.db2.gz VVDOPLWIXOKWJB-STQMWFEESA-N 2 2 276.384 0.954 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027984401 812194230 /nfs/dbraw/zinc/19/42/30/812194230.db2.gz NXANIUIFJUOKLS-LBPRGKRZSA-N 2 2 290.367 0.564 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027984401 812194237 /nfs/dbraw/zinc/19/42/37/812194237.db2.gz NXANIUIFJUOKLS-LBPRGKRZSA-N 2 2 290.367 0.564 20 30 CCEDLP C=CC[N@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001268238769 812405132 /nfs/dbraw/zinc/40/51/32/812405132.db2.gz KXZLBZYFYCRKPT-UHFFFAOYSA-N 2 2 250.346 0.919 20 30 CCEDLP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001268263531 812429023 /nfs/dbraw/zinc/42/90/23/812429023.db2.gz CKXUNOYHOAUDSP-GXTWGEPZSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001268263531 812429027 /nfs/dbraw/zinc/42/90/27/812429027.db2.gz CKXUNOYHOAUDSP-GXTWGEPZSA-N 2 2 281.400 0.472 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638267 813087634 /nfs/dbraw/zinc/08/76/34/813087634.db2.gz FEZINKALTUJWJM-ZIAGYGMSSA-N 2 2 286.379 0.517 20 30 CCEDLP C=CCC[NH+]1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001268854835 813115287 /nfs/dbraw/zinc/11/52/87/813115287.db2.gz UQEKFPSRKUSWRE-UHFFFAOYSA-N 2 2 276.384 0.977 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001268979161 813168237 /nfs/dbraw/zinc/16/82/37/813168237.db2.gz YRWTWTWMFRASGE-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001268979161 813168240 /nfs/dbraw/zinc/16/82/40/813168240.db2.gz YRWTWTWMFRASGE-KBPBESRZSA-N 2 2 263.385 0.637 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001269332229 813329787 /nfs/dbraw/zinc/32/97/87/813329787.db2.gz OCYCEFQNHBAZAN-ZIAGYGMSSA-N 2 2 265.401 0.786 20 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CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151817 814428463 /nfs/dbraw/zinc/42/84/63/814428463.db2.gz VUTLJBYJGGGEEN-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151817 814428467 /nfs/dbraw/zinc/42/84/67/814428467.db2.gz VUTLJBYJGGGEEN-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271996733 814671508 /nfs/dbraw/zinc/67/15/08/814671508.db2.gz QCSLGABFFAMJDJ-OAHLLOKOSA-N 2 2 292.383 0.390 20 30 CCEDLP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271996733 814671512 /nfs/dbraw/zinc/67/15/12/814671512.db2.gz QCSLGABFFAMJDJ-OAHLLOKOSA-N 2 2 292.383 0.390 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088493384 814742347 /nfs/dbraw/zinc/74/23/47/814742347.db2.gz JGUGHYBYQAYFSG-RDBSUJKOSA-N 2 2 263.385 0.683 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001088493384 814742350 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293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046414191 816570826 /nfs/dbraw/zinc/57/08/26/816570826.db2.gz GPVXZQFQNRDVPH-IIAWOOMASA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107560210 817878575 /nfs/dbraw/zinc/87/85/75/817878575.db2.gz AMXOOVOGQPJAPN-GDBMZVCRSA-N 2 2 286.379 0.946 20 30 CCEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001107560210 817878582 /nfs/dbraw/zinc/87/85/82/817878582.db2.gz AMXOOVOGQPJAPN-GDBMZVCRSA-N 2 2 286.379 0.946 20 30 CCEDLP C#CC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127798106 817880014 /nfs/dbraw/zinc/88/00/14/817880014.db2.gz ZNKUVROLKIZYQV-UHFFFAOYSA-N 2 2 260.341 0.101 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078777095 818048372 /nfs/dbraw/zinc/04/83/72/818048372.db2.gz RSCOQNNFORXQBY-ZIAGYGMSSA-N 2 2 286.379 0.613 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108074780 818548124 /nfs/dbraw/zinc/54/81/24/818548124.db2.gz PANOJFIUWAJRCS-OAHLLOKOSA-N 2 2 292.383 0.585 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108074780 818548130 /nfs/dbraw/zinc/54/81/30/818548130.db2.gz PANOJFIUWAJRCS-OAHLLOKOSA-N 2 2 292.383 0.585 20 30 CCEDLP Cc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1C#N ZINC001168737028 818553432 /nfs/dbraw/zinc/55/34/32/818553432.db2.gz UIROGCGNVQLANP-UHFFFAOYSA-N 2 2 258.329 0.856 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001036046103 819677517 /nfs/dbraw/zinc/67/75/17/819677517.db2.gz HTWRFFXBQJDSOC-GXTWGEPZSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001036046103 819677520 /nfs/dbraw/zinc/67/75/20/819677520.db2.gz HTWRFFXBQJDSOC-GXTWGEPZSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866296 821414383 /nfs/dbraw/zinc/41/43/83/821414383.db2.gz KOOYPHABCDYFMX-ZIAGYGMSSA-N 2 2 272.352 0.439 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085779767 821948568 /nfs/dbraw/zinc/94/85/68/821948568.db2.gz CFSRYAIMVZDSTC-LSDHHAIUSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085779767 821948572 /nfs/dbraw/zinc/94/85/72/821948572.db2.gz CFSRYAIMVZDSTC-LSDHHAIUSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085779767 821948575 /nfs/dbraw/zinc/94/85/75/821948575.db2.gz CFSRYAIMVZDSTC-LSDHHAIUSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085779767 821948579 /nfs/dbraw/zinc/94/85/79/821948579.db2.gz CFSRYAIMVZDSTC-LSDHHAIUSA-N 2 2 293.411 0.262 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086127128 822121121 /nfs/dbraw/zinc/12/11/21/822121121.db2.gz KWYGQQBWDBNZIB-MCIONIFRSA-N 2 2 286.379 0.563 20 30 CCEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048939 822167936 /nfs/dbraw/zinc/16/79/36/822167936.db2.gz UNGHZVORKBOBBX-STQMWFEESA-N 2 2 292.383 0.470 20 30 CCEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048939 822167939 /nfs/dbraw/zinc/16/79/39/822167939.db2.gz UNGHZVORKBOBBX-STQMWFEESA-N 2 2 292.383 0.470 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478012 837801499 /nfs/dbraw/zinc/80/14/99/837801499.db2.gz QNQSOIIVSKKCAM-LBPRGKRZSA-N 2 2 260.341 0.175 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108345264 835983483 /nfs/dbraw/zinc/98/34/83/835983483.db2.gz ZLSAVDOBYUORSB-OAHLLOKOSA-N 2 2 293.411 0.475 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108345264 835983488 /nfs/dbraw/zinc/98/34/88/835983488.db2.gz ZLSAVDOBYUORSB-OAHLLOKOSA-N 2 2 293.411 0.475 20 30 CCEDLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)CC/C2=N/O ZINC001169073813 836127517 /nfs/dbraw/zinc/12/75/17/836127517.db2.gz DKUPBBTZMQDOOH-FOTIKMNESA-N 2 2 286.335 0.859 20 30 CCEDLP N#CCc1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1F ZINC001169073183 836127622 /nfs/dbraw/zinc/12/76/22/836127622.db2.gz BWOYGDRZDFAOHY-LLVKDONJSA-N 2 2 274.299 0.940 20 30 CCEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112741874 836888942 /nfs/dbraw/zinc/88/89/42/836888942.db2.gz DPRRXBZRFLYITE-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112741874 836888954 /nfs/dbraw/zinc/88/89/54/836888954.db2.gz DPRRXBZRFLYITE-CABCVRRESA-N 2 2 295.427 0.816 20 30 CCEDLP CC#CC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147615019 840649880 /nfs/dbraw/zinc/64/98/80/840649880.db2.gz NMIMRETXFBDKLF-UHFFFAOYSA-N 2 2 283.335 0.610 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091725001 840827405 /nfs/dbraw/zinc/82/74/05/840827405.db2.gz ZEKBGMGNQQFVCZ-CJNGLKHVSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC001091725001 840827416 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0.876 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001095044703 842013669 /nfs/dbraw/zinc/01/36/69/842013669.db2.gz AFRKLERNPJUDPQ-IHRRRGAJSA-N 2 2 286.379 0.863 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187522106 844734678 /nfs/dbraw/zinc/73/46/78/844734678.db2.gz GIQRIXAEWXCJDI-CYBMUJFWSA-N 2 2 274.368 0.567 20 30 CCEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[NH+](C)C)O2 ZINC001273661249 846128001 /nfs/dbraw/zinc/12/80/01/846128001.db2.gz GEXYDWYOZUOXRO-ZDUSSCGKSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCN1C(=O)C[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711328 846679318 /nfs/dbraw/zinc/67/93/18/846679318.db2.gz AVHCDQVCRPRJPD-INIZCTEOSA-N 2 2 293.411 0.965 20 30 CCEDLP C=CCN1C(=O)C[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273711328 846679323 /nfs/dbraw/zinc/67/93/23/846679323.db2.gz AVHCDQVCRPRJPD-INIZCTEOSA-N 2 2 293.411 0.965 20 30 CCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201484732 847784165 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CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038626753 849708938 /nfs/dbraw/zinc/70/89/38/849708938.db2.gz IJZCOJWCTUQGCT-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038626753 849708943 /nfs/dbraw/zinc/70/89/43/849708943.db2.gz IJZCOJWCTUQGCT-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001038626753 849708950 /nfs/dbraw/zinc/70/89/50/849708950.db2.gz IJZCOJWCTUQGCT-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038463348 849913346 /nfs/dbraw/zinc/91/33/46/849913346.db2.gz UAHPGXZHFZRQLE-CYBMUJFWSA-N 2 2 268.320 0.772 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038463348 849913351 /nfs/dbraw/zinc/91/33/51/849913351.db2.gz UAHPGXZHFZRQLE-CYBMUJFWSA-N 2 2 268.320 0.772 20 30 CCEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039046014 850136472 /nfs/dbraw/zinc/13/64/72/850136472.db2.gz JZJHELVPPCSTBL-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039046014 850136475 /nfs/dbraw/zinc/13/64/75/850136475.db2.gz JZJHELVPPCSTBL-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039046014 850136479 /nfs/dbraw/zinc/13/64/79/850136479.db2.gz JZJHELVPPCSTBL-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039046014 850136482 /nfs/dbraw/zinc/13/64/82/850136482.db2.gz JZJHELVPPCSTBL-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042382218 850622227 /nfs/dbraw/zinc/62/22/27/850622227.db2.gz FBGHAYKKWKZTFY-CABCVRRESA-N 2 2 286.379 0.829 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042382218 850622230 /nfs/dbraw/zinc/62/22/30/850622230.db2.gz FBGHAYKKWKZTFY-CABCVRRESA-N 2 2 286.379 0.829 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044837903 851166750 /nfs/dbraw/zinc/16/67/50/851166750.db2.gz VRNVRWKOOHHZLI-KBPBESRZSA-N 2 2 288.395 0.955 20 30 CCEDLP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046221179 851430602 /nfs/dbraw/zinc/43/06/02/851430602.db2.gz XUDHRLRGKARKCL-GDBMZVCRSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046221179 851430604 /nfs/dbraw/zinc/43/06/04/851430604.db2.gz XUDHRLRGKARKCL-GDBMZVCRSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221179 851430606 /nfs/dbraw/zinc/43/06/06/851430606.db2.gz XUDHRLRGKARKCL-GDBMZVCRSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221179 851430607 /nfs/dbraw/zinc/43/06/07/851430607.db2.gz XUDHRLRGKARKCL-GDBMZVCRSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096349944 851946709 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C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001050848928 853461706 /nfs/dbraw/zinc/46/17/06/853461706.db2.gz QYSDOMMSYDXJBL-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001050848928 853461709 /nfs/dbraw/zinc/46/17/09/853461709.db2.gz QYSDOMMSYDXJBL-KGLIPLIRSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051208311 853545602 /nfs/dbraw/zinc/54/56/02/853545602.db2.gz NQKZZCXWQMHJDE-CQSZACIVSA-N 2 2 293.411 0.475 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051208311 853545605 /nfs/dbraw/zinc/54/56/05/853545605.db2.gz NQKZZCXWQMHJDE-CQSZACIVSA-N 2 2 293.411 0.475 20 30 CCEDLP C#CCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073128003 854534962 /nfs/dbraw/zinc/53/49/62/854534962.db2.gz NVTHHKMGGBQPJH-UHFFFAOYSA-N 2 2 286.379 0.520 20 30 CCEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073128003 854534967 /nfs/dbraw/zinc/53/49/67/854534967.db2.gz NVTHHKMGGBQPJH-UHFFFAOYSA-N 2 2 286.379 0.520 20 30 CCEDLP C=CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483959 854564643 /nfs/dbraw/zinc/56/46/43/854564643.db2.gz ZCWQWSVEEHABPX-UHFFFAOYSA-N 2 2 260.341 0.603 20 30 CCEDLP C=CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483959 854564654 /nfs/dbraw/zinc/56/46/54/854564654.db2.gz ZCWQWSVEEHABPX-UHFFFAOYSA-N 2 2 260.341 0.603 20 30 CCEDLP CC#CC[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100392798 855159996 /nfs/dbraw/zinc/15/99/96/855159996.db2.gz ZYSAMRHKVHJJQT-UHFFFAOYSA-N 2 2 274.368 0.850 20 30 CCEDLP CC#CC[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100392798 855160000 /nfs/dbraw/zinc/16/00/00/855160000.db2.gz ZYSAMRHKVHJJQT-UHFFFAOYSA-N 2 2 274.368 0.850 20 30 CCEDLP C#CCC[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100918476 855238104 /nfs/dbraw/zinc/23/81/04/855238104.db2.gz YCAMBEFYGXNCSJ-UHFFFAOYSA-N 2 2 274.368 0.768 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205185 855418731 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C#CC[NH2+]CC(=O)NCCCCNc1cccc[nH+]1 ZINC001343419650 892899531 /nfs/dbraw/zinc/89/95/31/892899531.db2.gz FUHVXXLFKCGQLA-UHFFFAOYSA-N 2 2 260.341 0.613 20 30 CCEDLP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001482482669 894117025 /nfs/dbraw/zinc/11/70/25/894117025.db2.gz NGODGZQNZVALBG-UONOGXRCSA-N 2 2 274.368 0.733 20 30 CCEDLP COCC#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001482573053 894259461 /nfs/dbraw/zinc/25/94/61/894259461.db2.gz ZMDBLCCOYBZCJM-CQSZACIVSA-N 2 2 292.383 0.263 20 30 CCEDLP C=CC[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001483687314 895856414 /nfs/dbraw/zinc/85/64/14/895856414.db2.gz GBAKWSBBSTXWNK-HNNXBMFYSA-N 2 2 295.427 0.865 20 30 CCEDLP C=CC[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001483687314 895856418 /nfs/dbraw/zinc/85/64/18/895856418.db2.gz GBAKWSBBSTXWNK-HNNXBMFYSA-N 2 2 295.427 0.865 20 30 CCEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001483747589 895977426 /nfs/dbraw/zinc/97/74/26/895977426.db2.gz HWBCYDFJMKYZHZ-CYBMUJFWSA-N 2 2 286.379 0.707 20 30 CCEDLP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001484109922 896199474 /nfs/dbraw/zinc/19/94/74/896199474.db2.gz XCWJRRSGZOPKAJ-OAHLLOKOSA-N 2 2 274.368 0.735 20 30 CCEDLP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485321632 896947682 /nfs/dbraw/zinc/94/76/82/896947682.db2.gz ZPNQJRZKPPLMNX-CHWSQXEVSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485321632 896947688 /nfs/dbraw/zinc/94/76/88/896947688.db2.gz ZPNQJRZKPPLMNX-CHWSQXEVSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001077774222 897478194 /nfs/dbraw/zinc/47/81/94/897478194.db2.gz QTKBLFLXXJGQGJ-RBSFLKMASA-N 2 2 293.411 0.045 20 30 CCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001077774222 897478204 /nfs/dbraw/zinc/47/82/04/897478204.db2.gz QTKBLFLXXJGQGJ-RBSFLKMASA-N 2 2 293.411 0.045 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001272868224 898095473 /nfs/dbraw/zinc/09/54/73/898095473.db2.gz DBZLYDLYQYEEIY-AWEZNQCLSA-N 2 2 292.383 0.585 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001272868224 898095492 /nfs/dbraw/zinc/09/54/92/898095492.db2.gz DBZLYDLYQYEEIY-AWEZNQCLSA-N 2 2 292.383 0.585 20 30 CCEDLP C=C[C@@H](COC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001116642800 898149843 /nfs/dbraw/zinc/14/98/43/898149843.db2.gz AZJBICJAHHUGLE-HNNXBMFYSA-N 2 2 297.443 0.574 20 30 CCEDLP C#CCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001326859619 914238008 /nfs/dbraw/zinc/23/80/08/914238008.db2.gz NZSYXHXDNZRHFW-UHFFFAOYSA-N 2 2 274.368 0.925 20 30 CCEDLP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001492984497 900483040 /nfs/dbraw/zinc/48/30/40/900483040.db2.gz VKKRGWAYKALXRU-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001492984497 900483047 /nfs/dbraw/zinc/48/30/47/900483047.db2.gz VKKRGWAYKALXRU-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001491235260 903456205 /nfs/dbraw/zinc/45/62/05/903456205.db2.gz USXBTBMORKZSAU-OAHLLOKOSA-N 2 2 288.395 0.957 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001491235260 903456215 /nfs/dbraw/zinc/45/62/15/903456215.db2.gz USXBTBMORKZSAU-OAHLLOKOSA-N 2 2 288.395 0.957 20 30 CCEDLP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001491507334 903627814 /nfs/dbraw/zinc/62/78/14/903627814.db2.gz IUCTVTITTAVHQY-VXGBXAGGSA-N 2 2 262.357 0.726 20 30 CCEDLP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001281927715 904367361 /nfs/dbraw/zinc/36/73/61/904367361.db2.gz BVQXRDOACPWLLL-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001281927715 904367372 /nfs/dbraw/zinc/36/73/72/904367372.db2.gz BVQXRDOACPWLLL-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001281927715 904367382 /nfs/dbraw/zinc/36/73/82/904367382.db2.gz BVQXRDOACPWLLL-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001281927715 904367398 /nfs/dbraw/zinc/36/73/98/904367398.db2.gz BVQXRDOACPWLLL-LSDHHAIUSA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001281927714 904368845 /nfs/dbraw/zinc/36/88/45/904368845.db2.gz BVQXRDOACPWLLL-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001281927714 904368863 /nfs/dbraw/zinc/36/88/63/904368863.db2.gz BVQXRDOACPWLLL-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001281927714 904368879 /nfs/dbraw/zinc/36/88/79/904368879.db2.gz BVQXRDOACPWLLL-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001281927714 904368897 /nfs/dbraw/zinc/36/88/97/904368897.db2.gz BVQXRDOACPWLLL-HUUCEWRRSA-N 2 2 295.427 0.816 20 30 CCEDLP C#CC[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001284558928 905371610 /nfs/dbraw/zinc/37/16/10/905371610.db2.gz PQARTKCBXRJQGS-HNNXBMFYSA-N 2 2 295.427 0.509 20 30 CCEDLP C#CC[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001284558928 905371626 /nfs/dbraw/zinc/37/16/26/905371626.db2.gz PQARTKCBXRJQGS-HNNXBMFYSA-N 2 2 295.427 0.509 20 30 CCEDLP C#CC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001284558928 905371643 /nfs/dbraw/zinc/37/16/43/905371643.db2.gz PQARTKCBXRJQGS-HNNXBMFYSA-N 2 2 295.427 0.509 20 30 CCEDLP C#CC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001284558928 905371659 /nfs/dbraw/zinc/37/16/59/905371659.db2.gz PQARTKCBXRJQGS-HNNXBMFYSA-N 2 2 295.427 0.509 20 30 CCEDLP C=CCCC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001491693713 907505988 /nfs/dbraw/zinc/50/59/88/907505988.db2.gz ICMGKPDLXYSBRS-LBPRGKRZSA-N 2 2 250.346 0.944 20 30 CCEDLP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001491888579 907623518 /nfs/dbraw/zinc/62/35/18/907623518.db2.gz HZJKLUTUTXBPLN-STQMWFEESA-N 2 2 274.368 0.993 20 30 CCEDLP C#CC[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001317022039 908925425 /nfs/dbraw/zinc/92/54/25/908925425.db2.gz NRMFVHUJWRKVHR-CYBMUJFWSA-N 2 2 260.341 0.391 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001317502761 909271552 /nfs/dbraw/zinc/27/15/52/909271552.db2.gz VXNFZTYXOSUTRI-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001317502761 909271562 /nfs/dbraw/zinc/27/15/62/909271562.db2.gz VXNFZTYXOSUTRI-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP C=CC[N@H+](CCC)CCNC(=O)Cc1c[nH+]cn1C ZINC001317548100 909318255 /nfs/dbraw/zinc/31/82/55/909318255.db2.gz RGGWAJRPXVMZLJ-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP C=CC[N@@H+](CCC)CCNC(=O)Cc1c[nH+]cn1C ZINC001317548100 909318270 /nfs/dbraw/zinc/31/82/70/909318270.db2.gz RGGWAJRPXVMZLJ-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP C=CCN1CC[NH+](CCN(C)C(=O)CC[N@@H+](C)CC)CC1 ZINC001317824034 909517018 /nfs/dbraw/zinc/51/70/18/909517018.db2.gz JCAGLPVAWGUKHR-UHFFFAOYSA-N 2 2 296.459 0.590 20 30 CCEDLP C=CCN1CC[NH+](CCN(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001317824034 909517033 /nfs/dbraw/zinc/51/70/33/909517033.db2.gz JCAGLPVAWGUKHR-UHFFFAOYSA-N 2 2 296.459 0.590 20 30 CCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001319576441 910211324 /nfs/dbraw/zinc/21/13/24/910211324.db2.gz KXCMSPHLMSYDSG-GFCCVEGCSA-N 2 2 292.383 0.347 20 30 CCEDLP C=C(C)C[NH2+]CCN(CC)C(=O)Cc1c[nH+]cn1C ZINC001320891254 910919921 /nfs/dbraw/zinc/91/99/21/910919921.db2.gz GVFJZNGUAJSDQG-UHFFFAOYSA-N 2 2 264.373 0.977 20 30 CCEDLP CC#CC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001321661511 911429744 /nfs/dbraw/zinc/42/97/44/911429744.db2.gz NGDZWXKXNULSAF-CHWSQXEVSA-N 2 2 262.357 0.952 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001328362508 915142174 /nfs/dbraw/zinc/14/21/74/915142174.db2.gz INOGZPNDWKMSRF-KBPBESRZSA-N 2 2 288.395 0.953 20 30 CCEDLP CC#CC[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001329591589 916043537 /nfs/dbraw/zinc/04/35/37/916043537.db2.gz CRMJLSLMMLNITF-GFCCVEGCSA-N 2 2 262.357 0.422 20 30 CCEDLP CC#CC[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001329591589 916043519 /nfs/dbraw/zinc/04/35/19/916043519.db2.gz CRMJLSLMMLNITF-GFCCVEGCSA-N 2 2 262.357 0.422 20 30 CCEDLP C#CCC[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001330925574 916972738 /nfs/dbraw/zinc/97/27/38/916972738.db2.gz BWRQMOXCYVLPOO-GFCCVEGCSA-N 2 2 262.357 0.850 20 30 CCEDLP C=CC[NH2+][C@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001331739177 917561398 /nfs/dbraw/zinc/56/13/98/917561398.db2.gz LMFWOQXCJZVIJS-LBPRGKRZSA-N 2 2 280.372 0.179 20 30 CCEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001418211510 921919639 /nfs/dbraw/zinc/91/96/39/921919639.db2.gz RNKQFZMFCJSCQW-MNOVXSKESA-N 2 2 275.780 0.164 20 30 CCEDLP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001418211510 921919653 /nfs/dbraw/zinc/91/96/53/921919653.db2.gz RNKQFZMFCJSCQW-MNOVXSKESA-N 2 2 275.780 0.164 20 30 CCEDLP C=CC[C@]1(C(=O)N[C@H](CC)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC001342534399 922992313 /nfs/dbraw/zinc/99/23/13/922992313.db2.gz DPSBFPRTHUALDK-GDBMZVCRSA-N 2 2 295.427 0.912 20 30 CCEDLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC001342609351 923025178 /nfs/dbraw/zinc/02/51/78/923025178.db2.gz SFAJZSZDHPHJAZ-CHWSQXEVSA-N 2 2 282.388 0.235 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333369 362230018 /nfs/dbraw/zinc/23/00/18/362230018.db2.gz CRYRBIBXICFLLF-RYUDHWBXSA-N 2 2 280.372 0.072 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333369 362230027 /nfs/dbraw/zinc/23/00/27/362230027.db2.gz CRYRBIBXICFLLF-RYUDHWBXSA-N 2 2 280.372 0.072 20 30 CCEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602784610 362798847 /nfs/dbraw/zinc/79/88/47/362798847.db2.gz HVLBJONFEOXCAZ-AWEZNQCLSA-N 2 2 290.411 0.919 20 30 CCEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602784610 362798850 /nfs/dbraw/zinc/79/88/50/362798850.db2.gz HVLBJONFEOXCAZ-AWEZNQCLSA-N 2 2 290.411 0.919 20 30 CCEDLP C#CCNC(NCC(C)(C)[NH+]1CCOCC1)=[NH+]CC ZINC000073803668 348962538 /nfs/dbraw/zinc/96/25/38/348962538.db2.gz MURVBTFXDJCXMR-UHFFFAOYSA-N 2 2 266.389 0.286 20 30 CCEDLP C=CCC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926852 349412989 /nfs/dbraw/zinc/41/29/89/349412989.db2.gz XBVNIGRWRQGJMJ-CYBMUJFWSA-N 2 2 264.373 0.869 20 30 CCEDLP C=CCOCC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354986803 356543964 /nfs/dbraw/zinc/54/39/64/356543964.db2.gz KVHJSASOBXYXDV-AWEZNQCLSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCOCC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354986803 356543965 /nfs/dbraw/zinc/54/39/65/356543965.db2.gz KVHJSASOBXYXDV-AWEZNQCLSA-N 2 2 295.427 0.816 20 30 CCEDLP CC[N@H+](C)CC[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000561222068 291122764 /nfs/dbraw/zinc/12/27/64/291122764.db2.gz JCHLVFDCXSTYLT-LLVKDONJSA-N 2 2 262.361 0.338 20 30 CCEDLP CC[N@@H+](C)CC[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000561222068 291122765 /nfs/dbraw/zinc/12/27/65/291122765.db2.gz JCHLVFDCXSTYLT-LLVKDONJSA-N 2 2 262.361 0.338 20 30 CCEDLP CC[N@H+](C)CC[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000561222070 291122888 /nfs/dbraw/zinc/12/28/88/291122888.db2.gz JCHLVFDCXSTYLT-NSHDSACASA-N 2 2 262.361 0.338 20 30 CCEDLP CC[N@@H+](C)CC[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000561222070 291122889 /nfs/dbraw/zinc/12/28/89/291122889.db2.gz JCHLVFDCXSTYLT-NSHDSACASA-N 2 2 262.361 0.338 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)COCC(=O)OC)CC1 ZINC000449127470 358251663 /nfs/dbraw/zinc/25/16/63/358251663.db2.gz WURYFDKNDFIUND-LBPRGKRZSA-N 2 2 270.373 0.805 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000610946748 363636942 /nfs/dbraw/zinc/63/69/42/363636942.db2.gz AEZRQBZQGHIPPK-UHFFFAOYSA-N 2 2 290.342 0.561 20 30 CCEDLP CC[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000593465807 360094428 /nfs/dbraw/zinc/09/44/28/360094428.db2.gz UAMCDGYSHWHBNN-STQMWFEESA-N 2 2 278.400 0.821 20 30 CCEDLP CC[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000593465807 360094433 /nfs/dbraw/zinc/09/44/33/360094433.db2.gz UAMCDGYSHWHBNN-STQMWFEESA-N 2 2 278.400 0.821 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C)CO1 ZINC000595939391 360715141 /nfs/dbraw/zinc/71/51/41/360715141.db2.gz HZLJBRXTQOEVEH-BFHYXJOUSA-N 2 2 296.415 0.623 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C)CO1 ZINC000595939391 360715143 /nfs/dbraw/zinc/71/51/43/360715143.db2.gz HZLJBRXTQOEVEH-BFHYXJOUSA-N 2 2 296.415 0.623 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnccc1C#N ZINC000597990226 361299284 /nfs/dbraw/zinc/29/92/84/361299284.db2.gz SHKSRTWHAVLKHN-UHFFFAOYSA-N 2 2 289.383 0.567 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnccc1C#N ZINC000597990226 361299287 /nfs/dbraw/zinc/29/92/87/361299287.db2.gz SHKSRTWHAVLKHN-UHFFFAOYSA-N 2 2 289.383 0.567 20 30 CCEDLP N#Cc1ccccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000598681181 361480697 /nfs/dbraw/zinc/48/06/97/361480697.db2.gz FSORDUJSYAJVBF-ZIAGYGMSSA-N 2 2 270.336 0.302 20 30 CCEDLP N#Cc1ccccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000598681181 361480699 /nfs/dbraw/zinc/48/06/99/361480699.db2.gz FSORDUJSYAJVBF-ZIAGYGMSSA-N 2 2 270.336 0.302 20 30 CCEDLP N#Cc1ccccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000598681180 361480815 /nfs/dbraw/zinc/48/08/15/361480815.db2.gz FSORDUJSYAJVBF-UONOGXRCSA-N 2 2 270.336 0.302 20 30 CCEDLP N#Cc1ccccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000598681180 361480817 /nfs/dbraw/zinc/48/08/17/361480817.db2.gz FSORDUJSYAJVBF-UONOGXRCSA-N 2 2 270.336 0.302 20 30 CCEDLP N#CC1(NC(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000615224974 364889127 /nfs/dbraw/zinc/88/91/27/364889127.db2.gz AIPWIKOKPVMVDA-UHFFFAOYSA-N 2 2 299.378 0.766 20 30 CCEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638524622 375116416 /nfs/dbraw/zinc/11/64/16/375116416.db2.gz PURZXJSRUSBLBZ-UHFFFAOYSA-N 2 2 262.361 0.042 20 30 CCEDLP C=CC[C@]1(C(=O)NC[C@@H]2COCC[N@H+]2C)CCC[NH2+]1 ZINC000638610229 375189292 /nfs/dbraw/zinc/18/92/92/375189292.db2.gz JBAMAXBMKNRLCE-TZMCWYRMSA-N 2 2 267.373 0.132 20 30 CCEDLP C=CC[C@]1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCC[NH2+]1 ZINC000638610229 375189301 /nfs/dbraw/zinc/18/93/01/375189301.db2.gz JBAMAXBMKNRLCE-TZMCWYRMSA-N 2 2 267.373 0.132 20 30 CCEDLP C=CCCn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)nn1 ZINC000657370038 412975806 /nfs/dbraw/zinc/97/58/06/412975806.db2.gz KQUNDMRNZGRTMB-CQSZACIVSA-N 2 2 293.415 0.912 20 30 CCEDLP C#CC[N@@H+](C)CCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000292742250 388954443 /nfs/dbraw/zinc/95/44/43/388954443.db2.gz IZBICISSMXHFNO-UHFFFAOYSA-N 2 2 273.344 0.313 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000293973188 388990491 /nfs/dbraw/zinc/99/04/91/388990491.db2.gz MDVNQXUDUPXBGK-UHFFFAOYSA-N 2 2 297.362 0.952 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000293973188 388990494 /nfs/dbraw/zinc/99/04/94/388990494.db2.gz MDVNQXUDUPXBGK-UHFFFAOYSA-N 2 2 297.362 0.952 20 30 CCEDLP [O-]C(N[C@H]1CCc2[nH]c[nH+]c2C1)=[NH+]CC[NH+]1CCC1 ZINC000329742353 389195196 /nfs/dbraw/zinc/19/51/96/389195196.db2.gz PIJQAWLYSDJLFP-JTQLQIEISA-N 2 2 263.345 0.476 20 30 CCEDLP [O-]C(N[C@H]1CCc2[nH+]c[nH]c2C1)=[NH+]CC[NH+]1CCC1 ZINC000329742353 389195198 /nfs/dbraw/zinc/19/51/98/389195198.db2.gz PIJQAWLYSDJLFP-JTQLQIEISA-N 2 2 263.345 0.476 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123695861 389157128 /nfs/dbraw/zinc/15/71/28/389157128.db2.gz BANAQFKBDNLLBO-LLVKDONJSA-N 2 2 270.377 0.303 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123695861 389157129 /nfs/dbraw/zinc/15/71/29/389157129.db2.gz BANAQFKBDNLLBO-LLVKDONJSA-N 2 2 270.377 0.303 20 30 CCEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000329820683 389204289 /nfs/dbraw/zinc/20/42/89/389204289.db2.gz YIIRBFSOKWPGTF-OCCSQVGLSA-N 2 2 296.415 0.305 20 30 CCEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000329820683 389204291 /nfs/dbraw/zinc/20/42/91/389204291.db2.gz YIIRBFSOKWPGTF-OCCSQVGLSA-N 2 2 296.415 0.305 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000245454033 389208222 /nfs/dbraw/zinc/20/82/22/389208222.db2.gz RPORWEIKAIFWEY-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000245454033 389208225 /nfs/dbraw/zinc/20/82/25/389208225.db2.gz RPORWEIKAIFWEY-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245454033 389208227 /nfs/dbraw/zinc/20/82/27/389208227.db2.gz RPORWEIKAIFWEY-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000245454033 389208230 /nfs/dbraw/zinc/20/82/30/389208230.db2.gz RPORWEIKAIFWEY-CHWSQXEVSA-N 2 2 253.390 0.951 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264646356 389341229 /nfs/dbraw/zinc/34/12/29/389341229.db2.gz WPIXBDWUGVDUPS-LBPRGKRZSA-N 2 2 260.341 0.658 20 30 CCEDLP COc1ccccc1CNC(=[NH2+])NC[C@H]1C[N@H+](C)CCO1 ZINC000170913321 389469201 /nfs/dbraw/zinc/46/92/01/389469201.db2.gz ZFXHSMGFMXVOOV-ZDUSSCGKSA-N 2 2 292.383 0.430 20 30 CCEDLP COc1ccccc1CNC(=[NH2+])NC[C@H]1C[N@@H+](C)CCO1 ZINC000170913321 389469207 /nfs/dbraw/zinc/46/92/07/389469207.db2.gz ZFXHSMGFMXVOOV-ZDUSSCGKSA-N 2 2 292.383 0.430 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CCC#N)CC2)CC1 ZINC000399301934 389790902 /nfs/dbraw/zinc/79/09/02/389790902.db2.gz NMNLACYUHVLFMT-UHFFFAOYSA-N 2 2 278.400 0.776 20 30 CCEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCC#N)C[C@H](C)O1 ZINC000563014004 390492763 /nfs/dbraw/zinc/49/27/63/390492763.db2.gz OKOBYBSZGRERLU-XQQFMLRXSA-N 2 2 255.362 0.350 20 30 CCEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCC#N)C[C@H](C)O1 ZINC000563014004 390492770 /nfs/dbraw/zinc/49/27/70/390492770.db2.gz OKOBYBSZGRERLU-XQQFMLRXSA-N 2 2 255.362 0.350 20 30 CCEDLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCC#N)C[C@H](C)O1 ZINC000563014000 390492915 /nfs/dbraw/zinc/49/29/15/390492915.db2.gz OKOBYBSZGRERLU-FRRDWIJNSA-N 2 2 255.362 0.350 20 30 CCEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCC#N)C[C@H](C)O1 ZINC000563014000 390492921 /nfs/dbraw/zinc/49/29/21/390492921.db2.gz OKOBYBSZGRERLU-FRRDWIJNSA-N 2 2 255.362 0.350 20 30 CCEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000555598562 390460523 /nfs/dbraw/zinc/46/05/23/390460523.db2.gz XNJKLSBRUNPWDE-OAHLLOKOSA-N 2 2 290.411 0.967 20 30 CCEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000555598562 390460525 /nfs/dbraw/zinc/46/05/25/390460525.db2.gz XNJKLSBRUNPWDE-OAHLLOKOSA-N 2 2 290.411 0.967 20 30 CCEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000555598562 390460528 /nfs/dbraw/zinc/46/05/28/390460528.db2.gz XNJKLSBRUNPWDE-OAHLLOKOSA-N 2 2 290.411 0.967 20 30 CCEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000555598562 390460532 /nfs/dbraw/zinc/46/05/32/390460532.db2.gz XNJKLSBRUNPWDE-OAHLLOKOSA-N 2 2 290.411 0.967 20 30 CCEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCC3)CC[C@@H]21 ZINC000527377085 390704103 /nfs/dbraw/zinc/70/41/03/390704103.db2.gz GIJDIBYFWOLTPS-KGLIPLIRSA-N 2 2 290.411 0.965 20 30 CCEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3(C#N)CCC3)CC[C@@H]21 ZINC000527377085 390704107 /nfs/dbraw/zinc/70/41/07/390704107.db2.gz GIJDIBYFWOLTPS-KGLIPLIRSA-N 2 2 290.411 0.965 20 30 CCEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC3(C#N)CCC3)CC[C@@H]21 ZINC000527377085 390704110 /nfs/dbraw/zinc/70/41/10/390704110.db2.gz GIJDIBYFWOLTPS-KGLIPLIRSA-N 2 2 290.411 0.965 20 30 CCEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC3(C#N)CCC3)CC[C@@H]21 ZINC000527377085 390704112 /nfs/dbraw/zinc/70/41/12/390704112.db2.gz GIJDIBYFWOLTPS-KGLIPLIRSA-N 2 2 290.411 0.965 20 30 CCEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000567680326 390710327 /nfs/dbraw/zinc/71/03/27/390710327.db2.gz WDYHSMHWWSQQNN-HNNXBMFYSA-N 3 2 267.417 0.682 20 30 CCEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000567680326 390710328 /nfs/dbraw/zinc/71/03/28/390710328.db2.gz WDYHSMHWWSQQNN-HNNXBMFYSA-N 3 2 267.417 0.682 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cnc(C#N)cn3)C2)CC1 ZINC000372177933 144356466 /nfs/dbraw/zinc/35/64/66/144356466.db2.gz FYMKXIUZIICXBM-LBPRGKRZSA-N 2 2 286.383 0.929 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cnc(C#N)cn3)C2)CC1 ZINC000372177933 144356467 /nfs/dbraw/zinc/35/64/67/144356467.db2.gz FYMKXIUZIICXBM-LBPRGKRZSA-N 2 2 286.383 0.929 20 30 CCEDLP Cc1ccc2[nH+]cc(C[NH2+]CCn3cnc(C#N)n3)n2c1 ZINC000285412852 196277397 /nfs/dbraw/zinc/27/73/97/196277397.db2.gz GAVLWONZBWFOJY-UHFFFAOYSA-N 2 2 281.323 0.896 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696784 414446171 /nfs/dbraw/zinc/44/61/71/414446171.db2.gz PLYZWLGNNUNXKN-AWEZNQCLSA-N 2 2 270.417 0.996 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CCC[NH2+]1 ZINC000662715610 414745812 /nfs/dbraw/zinc/74/58/12/414745812.db2.gz UUFYZGIKBSXRDP-HIFRSBDPSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CCC[NH2+]1 ZINC000662715610 414745813 /nfs/dbraw/zinc/74/58/13/414745813.db2.gz UUFYZGIKBSXRDP-HIFRSBDPSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[C@]1(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662721481 414746148 /nfs/dbraw/zinc/74/61/48/414746148.db2.gz WYALCVWJGJLOQI-OFQRWUPVSA-N 2 2 295.427 0.910 20 30 CCEDLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328665016 545018327 /nfs/dbraw/zinc/01/83/27/545018327.db2.gz YYHFWFANROMQKA-ZIAGYGMSSA-N 2 2 296.415 0.449 20 30 CCEDLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328665016 545018329 /nfs/dbraw/zinc/01/83/29/545018329.db2.gz YYHFWFANROMQKA-ZIAGYGMSSA-N 2 2 296.415 0.449 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)C2(OC)CCC2)CC1 ZINC000491775501 262033009 /nfs/dbraw/zinc/03/30/09/262033009.db2.gz DOPPNVPVJREVEI-CQSZACIVSA-N 2 2 293.411 0.311 20 30 CCEDLP C[C@H]1C[NH+]=C(NCc2cccnc2-n2cc[nH+]c2)N1 ZINC000262683599 262783019 /nfs/dbraw/zinc/78/30/19/262783019.db2.gz XJCKZXYKPYNQIK-JTQLQIEISA-N 2 2 256.313 0.705 20 30 CCEDLP COC[C@H](C)NC(=[NH2+])NCCc1cc[nH+]cc1C ZINC000269919403 262979126 /nfs/dbraw/zinc/97/91/26/262979126.db2.gz AAOOCFNCRNSTDB-NSHDSACASA-N 2 2 250.346 0.872 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072861007 264272275 /nfs/dbraw/zinc/27/22/75/264272275.db2.gz SKZPHMFIGZSLDH-STQMWFEESA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072861007 264272278 /nfs/dbraw/zinc/27/22/78/264272278.db2.gz SKZPHMFIGZSLDH-STQMWFEESA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072861007 264272280 /nfs/dbraw/zinc/27/22/80/264272280.db2.gz SKZPHMFIGZSLDH-STQMWFEESA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072861007 264272282 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C[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@@]2(CCOC2)C1 ZINC000261967012 329991966 /nfs/dbraw/zinc/99/19/66/329991966.db2.gz LRERYUZDEIDYNR-CQSZACIVSA-N 2 2 277.372 0.571 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262730758 330028865 /nfs/dbraw/zinc/02/88/65/330028865.db2.gz BLHNTNHBBGQFHB-ZDUSSCGKSA-N 3 2 290.415 0.593 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262730758 330028867 /nfs/dbraw/zinc/02/88/67/330028867.db2.gz BLHNTNHBBGQFHB-ZDUSSCGKSA-N 3 2 290.415 0.593 20 30 CCEDLP C=C(C)COCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422988656 330162894 /nfs/dbraw/zinc/16/28/94/330162894.db2.gz JRASIHFYCKDPQW-KBPBESRZSA-N 2 2 254.374 0.936 20 30 CCEDLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424178100 330317792 /nfs/dbraw/zinc/31/77/92/330317792.db2.gz VVGLWXXETBUQIB-LBPRGKRZSA-N 2 2 263.345 0.753 20 30 CCEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nn1 ZINC000424368642 330348020 /nfs/dbraw/zinc/34/80/20/330348020.db2.gz 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CCEDLP COCCN(C)c1ccc(C=[NH+]N2CC[NH+](C)CC2)cn1 ZINC000790136383 581178087 /nfs/dbraw/zinc/17/80/87/581178087.db2.gz JSAIKOUELVMZDG-UHFFFAOYSA-N 2 2 291.399 0.746 20 30 CCEDLP C[C@@H]1CNC(NN=C2CCN(c3cccc[nH+]3)CC2)=[NH+]1 ZINC000779805354 581207816 /nfs/dbraw/zinc/20/78/16/581207816.db2.gz NKUYSRLJYFNTDR-LLVKDONJSA-N 2 2 272.356 0.975 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000730097752 581645669 /nfs/dbraw/zinc/64/56/69/581645669.db2.gz JAKFOFSROYCXNE-AWEZNQCLSA-N 2 2 286.379 0.861 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000730097752 581645671 /nfs/dbraw/zinc/64/56/71/581645671.db2.gz JAKFOFSROYCXNE-AWEZNQCLSA-N 2 2 286.379 0.861 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000730106373 581647182 /nfs/dbraw/zinc/64/71/82/581647182.db2.gz ZTMMHVWHOAJINB-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000730106373 581647185 /nfs/dbraw/zinc/64/71/85/581647185.db2.gz 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C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890068430 613198573 /nfs/dbraw/zinc/19/85/73/613198573.db2.gz RESXZEMPOLWOHC-AWEZNQCLSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000890068430 613198575 /nfs/dbraw/zinc/19/85/75/613198575.db2.gz RESXZEMPOLWOHC-AWEZNQCLSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000890068430 613198576 /nfs/dbraw/zinc/19/85/76/613198576.db2.gz RESXZEMPOLWOHC-AWEZNQCLSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945641835 613227893 /nfs/dbraw/zinc/22/78/93/613227893.db2.gz RAXRUCKJBGCWFI-CHWSQXEVSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945641835 613227895 /nfs/dbraw/zinc/22/78/95/613227895.db2.gz RAXRUCKJBGCWFI-CHWSQXEVSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947928562 613261308 /nfs/dbraw/zinc/26/13/08/613261308.db2.gz CPVYIKCEMAYQCG-STQMWFEESA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947928562 613261309 /nfs/dbraw/zinc/26/13/09/613261309.db2.gz CPVYIKCEMAYQCG-STQMWFEESA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977668752 613281437 /nfs/dbraw/zinc/28/14/37/613281437.db2.gz QSIGJEFVHJMPMK-GFCCVEGCSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977668752 613281439 /nfs/dbraw/zinc/28/14/39/613281439.db2.gz QSIGJEFVHJMPMK-GFCCVEGCSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978296754 613308517 /nfs/dbraw/zinc/30/85/17/613308517.db2.gz VGCRYMOYIFBCRR-KSTCHIGDSA-N 2 2 284.363 0.440 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978296754 613308519 /nfs/dbraw/zinc/30/85/19/613308519.db2.gz VGCRYMOYIFBCRR-KSTCHIGDSA-N 2 2 284.363 0.440 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978296754 613308521 /nfs/dbraw/zinc/30/85/21/613308521.db2.gz VGCRYMOYIFBCRR-KSTCHIGDSA-N 2 2 284.363 0.440 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978296754 613308523 /nfs/dbraw/zinc/30/85/23/613308523.db2.gz VGCRYMOYIFBCRR-KSTCHIGDSA-N 2 2 284.363 0.440 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000849325560 613326458 /nfs/dbraw/zinc/32/64/58/613326458.db2.gz LRZHYFKRSOXENA-LBPRGKRZSA-N 2 2 251.374 0.588 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000849325560 613326460 /nfs/dbraw/zinc/32/64/60/613326460.db2.gz LRZHYFKRSOXENA-LBPRGKRZSA-N 2 2 251.374 0.588 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863581431 613326766 /nfs/dbraw/zinc/32/67/66/613326766.db2.gz ACMQNBCQRDDNML-CQSZACIVSA-N 2 2 263.385 0.732 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000863581431 613326768 /nfs/dbraw/zinc/32/67/68/613326768.db2.gz ACMQNBCQRDDNML-CQSZACIVSA-N 2 2 263.385 0.732 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961893254 613344622 /nfs/dbraw/zinc/34/46/22/613344622.db2.gz ZAMLEWGMTYGVSS-IMRBUKKESA-N 2 2 260.341 0.575 20 30 CCEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961893254 613344623 /nfs/dbraw/zinc/34/46/23/613344623.db2.gz ZAMLEWGMTYGVSS-IMRBUKKESA-N 2 2 260.341 0.575 20 30 CCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711369 613376036 /nfs/dbraw/zinc/37/60/36/613376036.db2.gz JGBVPIBZCZVUQT-MXWKQRLJSA-N 2 2 271.748 0.606 20 30 CCEDLP C=C(Cl)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711369 613376037 /nfs/dbraw/zinc/37/60/37/613376037.db2.gz JGBVPIBZCZVUQT-MXWKQRLJSA-N 2 2 271.748 0.606 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806481 613580380 /nfs/dbraw/zinc/58/03/80/613580380.db2.gz DEBMUSZJDYPFSI-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945806481 613580381 /nfs/dbraw/zinc/58/03/81/613580381.db2.gz DEBMUSZJDYPFSI-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972430143 613726045 /nfs/dbraw/zinc/72/60/45/613726045.db2.gz AOWGBNSQQQRCCM-GDBMZVCRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972430143 613726046 /nfs/dbraw/zinc/72/60/46/613726046.db2.gz AOWGBNSQQQRCCM-GDBMZVCRSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[NH2+]CCC23CCOCC3)C1=O ZINC000903818219 613739816 /nfs/dbraw/zinc/73/98/16/613739816.db2.gz BRFBPHFJSFILBL-CQSZACIVSA-N 2 2 293.411 0.618 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CC[NH2+]CCC23CCOCC3)C1=O ZINC000903818219 613739817 /nfs/dbraw/zinc/73/98/17/613739817.db2.gz BRFBPHFJSFILBL-CQSZACIVSA-N 2 2 293.411 0.618 20 30 CCEDLP C=CC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977453551 613826788 /nfs/dbraw/zinc/82/67/88/613826788.db2.gz NUOXVMPNPLJJBY-ZDUSSCGKSA-N 2 2 276.384 0.975 20 30 CCEDLP C=CC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977453551 613826790 /nfs/dbraw/zinc/82/67/90/613826790.db2.gz NUOXVMPNPLJJBY-ZDUSSCGKSA-N 2 2 276.384 0.975 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960628774 613839217 /nfs/dbraw/zinc/83/92/17/613839217.db2.gz GXCPSBCXOSTMSJ-RZFFKMDDSA-N 2 2 286.379 0.678 20 30 CCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960628774 613839218 /nfs/dbraw/zinc/83/92/18/613839218.db2.gz GXCPSBCXOSTMSJ-RZFFKMDDSA-N 2 2 286.379 0.678 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865117 613845273 /nfs/dbraw/zinc/84/52/73/613845273.db2.gz AJMKRFQQWDJPCR-CQSZACIVSA-N 2 2 251.374 0.754 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865117 613845275 /nfs/dbraw/zinc/84/52/75/613845275.db2.gz AJMKRFQQWDJPCR-CQSZACIVSA-N 2 2 251.374 0.754 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000884035276 613877708 /nfs/dbraw/zinc/87/77/08/613877708.db2.gz VZFIIXWBQJGSPK-SRVKXCTJSA-N 2 2 283.372 0.019 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000884300324 613878229 /nfs/dbraw/zinc/87/82/29/613878229.db2.gz WBSZGAHAOHOHDW-RYUDHWBXSA-N 2 2 283.372 0.081 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884192272 613878514 /nfs/dbraw/zinc/87/85/14/613878514.db2.gz AXBGARDOFQIPQZ-UPJWGTAASA-N 2 2 295.383 0.176 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884192272 613878515 /nfs/dbraw/zinc/87/85/15/613878515.db2.gz AXBGARDOFQIPQZ-UPJWGTAASA-N 2 2 295.383 0.176 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000913517849 615859436 /nfs/dbraw/zinc/85/94/36/615859436.db2.gz RXZBTEPHMYXKAN-GFCCVEGCSA-N 2 2 260.341 0.127 20 30 CCEDLP CON=CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000809642491 617104586 /nfs/dbraw/zinc/10/45/86/617104586.db2.gz JGWFPHRFNKYDDS-UHFFFAOYSA-N 2 2 282.388 0.293 20 30 CCEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375400 623300577 /nfs/dbraw/zinc/30/05/77/623300577.db2.gz RLOINLURPGMRLX-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024375400 623300581 /nfs/dbraw/zinc/30/05/81/623300581.db2.gz RLOINLURPGMRLX-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024375400 623300594 /nfs/dbraw/zinc/30/05/94/623300594.db2.gz RLOINLURPGMRLX-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024375400 623300600 /nfs/dbraw/zinc/30/06/00/623300600.db2.gz RLOINLURPGMRLX-LSDHHAIUSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001020604097 624547732 /nfs/dbraw/zinc/54/77/32/624547732.db2.gz XIQNKWBCEJBJLU-FDYHWXHSSA-N 2 2 272.352 0.394 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027435667 625881206 /nfs/dbraw/zinc/88/12/06/625881206.db2.gz IGOVDMDUDFNCFV-AWEZNQCLSA-N 2 2 274.368 0.898 20 30 CCEDLP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[NH2+]1 ZINC000904427915 634746040 /nfs/dbraw/zinc/74/60/40/634746040.db2.gz AMZKNIVRGCLJHU-DGAVXFQQSA-N 2 2 297.424 0.245 20 30 CCEDLP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC[NH2+]1 ZINC000904427915 634746048 /nfs/dbraw/zinc/74/60/48/634746048.db2.gz AMZKNIVRGCLJHU-DGAVXFQQSA-N 2 2 297.424 0.245 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010425043 631436755 /nfs/dbraw/zinc/43/67/55/631436755.db2.gz ABWGIFSQHRXLAY-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010425043 631436761 /nfs/dbraw/zinc/43/67/61/631436761.db2.gz ABWGIFSQHRXLAY-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010425043 631436764 /nfs/dbraw/zinc/43/67/64/631436764.db2.gz ABWGIFSQHRXLAY-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010425043 631436768 /nfs/dbraw/zinc/43/67/68/631436768.db2.gz ABWGIFSQHRXLAY-QWHCGFSZSA-N 2 2 267.373 0.084 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261861497 631660006 /nfs/dbraw/zinc/66/00/06/631660006.db2.gz YMONRCYCLHMOCS-NEPJUHHUSA-N 2 2 279.388 0.862 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC000986602372 632778340 /nfs/dbraw/zinc/77/83/40/632778340.db2.gz PBPLQHHYXMHYBP-CHWSQXEVSA-N 2 2 274.368 0.565 20 30 CCEDLP C=CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000989671159 633342185 /nfs/dbraw/zinc/34/21/85/633342185.db2.gz VCAMRLLHTMMFDP-UHFFFAOYSA-N 2 2 262.357 0.912 20 30 CCEDLP C=CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000989671159 633342188 /nfs/dbraw/zinc/34/21/88/633342188.db2.gz VCAMRLLHTMMFDP-UHFFFAOYSA-N 2 2 262.357 0.912 20 30 CCEDLP C#CC[N@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000989673726 633343708 /nfs/dbraw/zinc/34/37/08/633343708.db2.gz UYFPWKWUDOPNRW-OAHLLOKOSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000989673726 633343712 /nfs/dbraw/zinc/34/37/12/633343712.db2.gz UYFPWKWUDOPNRW-OAHLLOKOSA-N 2 2 293.411 0.122 20 30 CCEDLP Cc1cn(C(C)(C)C(=O)NCC#CC[NH+](C)C)c[nH+]1 ZINC000913524541 636833436 /nfs/dbraw/zinc/83/34/36/636833436.db2.gz QQAVPHWJLINECP-UHFFFAOYSA-N 2 2 262.357 0.608 20 30 CCEDLP CC(C)[C@H](CNC(=[NH2+])N(C)C)[NH+]1CCN(C)CC1 ZINC000170910329 637105002 /nfs/dbraw/zinc/10/50/02/637105002.db2.gz KOCPMQCGAMYBHZ-LBPRGKRZSA-N 2 2 255.410 0.135 20 30 CCEDLP C#CC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC000992415486 637397751 /nfs/dbraw/zinc/39/77/51/637397751.db2.gz ARNLHWBCFOVULM-GOEBONIOSA-N 2 2 286.379 0.709 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC000992925484 637640167 /nfs/dbraw/zinc/64/01/67/637640167.db2.gz PCFLLWLTPFMBKB-RRFJBIMHSA-N 2 2 286.379 0.733 20 30 CCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996711171 638829507 /nfs/dbraw/zinc/82/95/07/638829507.db2.gz BTSPHOYGOZZWGU-GFCCVEGCSA-N 2 2 262.357 0.896 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996712862 638829615 /nfs/dbraw/zinc/82/96/15/638829615.db2.gz HMIOCAAYNGHKOZ-LBPRGKRZSA-N 2 2 260.341 0.343 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999006431 638955162 /nfs/dbraw/zinc/95/51/62/638955162.db2.gz CZKYOMAYYOKHFM-OPFPJEHXSA-N 2 2 286.379 0.658 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000999414484 638980863 /nfs/dbraw/zinc/98/08/63/638980863.db2.gz WKIAEMUPVITFPS-YNEHKIRRSA-N 2 2 272.352 0.727 20 30 CCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000999414484 638980865 /nfs/dbraw/zinc/98/08/65/638980865.db2.gz WKIAEMUPVITFPS-YNEHKIRRSA-N 2 2 272.352 0.727 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014966864 650508752 /nfs/dbraw/zinc/50/87/52/650508752.db2.gz ZNEKAMQLIAYOSA-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014966864 650508753 /nfs/dbraw/zinc/50/87/53/650508753.db2.gz ZNEKAMQLIAYOSA-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014966864 650508754 /nfs/dbraw/zinc/50/87/54/650508754.db2.gz ZNEKAMQLIAYOSA-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014966864 650508755 /nfs/dbraw/zinc/50/87/55/650508755.db2.gz ZNEKAMQLIAYOSA-ZIAGYGMSSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014966861 650508855 /nfs/dbraw/zinc/50/88/55/650508855.db2.gz ZNEKAMQLIAYOSA-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001014966861 650508856 /nfs/dbraw/zinc/50/88/56/650508856.db2.gz 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ZINC001340220692 922011445 /nfs/dbraw/zinc/01/14/45/922011445.db2.gz VQKBIRJDSNTHEY-UHFFFAOYSA-N 2 2 257.337 0.688 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC001340220692 922011455 /nfs/dbraw/zinc/01/14/55/922011455.db2.gz VQKBIRJDSNTHEY-UHFFFAOYSA-N 2 2 257.337 0.688 20 30 CCEDLP C=CC[C@]1(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC001342195982 922856666 /nfs/dbraw/zinc/85/66/66/922856666.db2.gz LTJCOHMZUGQPHN-GDBMZVCRSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[C@@]1(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC001342195986 922856845 /nfs/dbraw/zinc/85/68/45/922856845.db2.gz LTJCOHMZUGQPHN-HOCLYGCPSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001479969644 924977172 /nfs/dbraw/zinc/97/71/72/924977172.db2.gz IBAZVQOJZPWMGZ-LBPRGKRZSA-N 2 2 260.341 0.176 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001479969644 924977181 /nfs/dbraw/zinc/97/71/81/924977181.db2.gz IBAZVQOJZPWMGZ-LBPRGKRZSA-N 2 2 260.341 0.176 20 30 CCEDLP C#C[C@@H](C)N(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353466864 925842446 /nfs/dbraw/zinc/84/24/46/925842446.db2.gz IGKZJPPXRZWIIO-LLVKDONJSA-N 2 2 252.362 0.073 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@H]1CCC[N@@H+](C(C)C)C1 ZINC001357124943 926485956 /nfs/dbraw/zinc/48/59/56/926485956.db2.gz CIILZSWAASARRI-ZDUSSCGKSA-N 2 2 251.374 0.588 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@H]1CCC[N@H+](C(C)C)C1 ZINC001357124943 926485959 /nfs/dbraw/zinc/48/59/59/926485959.db2.gz CIILZSWAASARRI-ZDUSSCGKSA-N 2 2 251.374 0.588 20 30 CCEDLP C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C[NH+]1CCOCC1 ZINC000600725783 362045826 /nfs/dbraw/zinc/04/58/26/362045826.db2.gz RBSKPZNBCRMTJJ-KBPBESRZSA-N 2 2 281.400 0.599 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000600742255 362051960 /nfs/dbraw/zinc/05/19/60/362051960.db2.gz JOHIVZDGPCCPQT-KBPBESRZSA-N 2 2 281.400 0.478 20 30 CCEDLP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000600742255 362051968 /nfs/dbraw/zinc/05/19/68/362051968.db2.gz JOHIVZDGPCCPQT-KBPBESRZSA-N 2 2 281.400 0.478 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000600756912 362056161 /nfs/dbraw/zinc/05/61/61/362056161.db2.gz ODIONBUCKRSZBM-OLZOCXBDSA-N 2 2 296.415 0.217 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600756912 362056167 /nfs/dbraw/zinc/05/61/67/362056167.db2.gz ODIONBUCKRSZBM-OLZOCXBDSA-N 2 2 296.415 0.217 20 30 CCEDLP Cn1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1C#N ZINC000361571555 529976411 /nfs/dbraw/zinc/97/64/11/529976411.db2.gz MGFCCNOWGCWVIZ-UHFFFAOYSA-N 2 2 276.384 0.785 20 30 CCEDLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1C#N ZINC000361571555 529976412 /nfs/dbraw/zinc/97/64/12/529976412.db2.gz MGFCCNOWGCWVIZ-UHFFFAOYSA-N 2 2 276.384 0.785 20 30 CCEDLP Cn1c[nH+]cc1CCN(CCC#N)CC[NH+]1CCOCC1 ZINC000602784232 362799056 /nfs/dbraw/zinc/79/90/56/362799056.db2.gz RCTNWEIPQNVYFQ-UHFFFAOYSA-N 2 2 291.399 0.510 20 30 CCEDLP N#Cc1ccc(OC[C@H](O)C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000052396188 348509065 /nfs/dbraw/zinc/50/90/65/348509065.db2.gz MDEFWZLHTFQULU-CQSZACIVSA-N 2 2 286.335 0.784 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603833208 363162208 /nfs/dbraw/zinc/16/22/08/363162208.db2.gz APDPHKQSALJRIZ-MGPQQGTHSA-N 2 2 290.411 0.869 20 30 CCEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362825191 138076088 /nfs/dbraw/zinc/07/60/88/138076088.db2.gz FLAGCSCUSRQPKG-INIZCTEOSA-N 2 2 298.390 0.954 20 30 CCEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000362825191 138076089 /nfs/dbraw/zinc/07/60/89/138076089.db2.gz FLAGCSCUSRQPKG-INIZCTEOSA-N 2 2 298.390 0.954 20 30 CCEDLP C=CCNC(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655748344 412654360 /nfs/dbraw/zinc/65/43/60/412654360.db2.gz XUONYKTVOCERKP-ZDUSSCGKSA-N 2 2 267.373 0.132 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000573177548 358944199 /nfs/dbraw/zinc/94/41/99/358944199.db2.gz UUDJEPLKIQCZGM-QMIVOQANSA-N 2 2 284.400 0.390 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)NCCCn1cc[nH+]c1 ZINC000297454407 200196025 /nfs/dbraw/zinc/19/60/25/200196025.db2.gz WQYXIURVEJCSPU-UHFFFAOYSA-N 2 2 277.372 0.528 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)NCCCn1cc[nH+]c1 ZINC000297454407 200196027 /nfs/dbraw/zinc/19/60/27/200196027.db2.gz WQYXIURVEJCSPU-UHFFFAOYSA-N 2 2 277.372 0.528 20 30 CCEDLP N#Cc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccn1 ZINC000593979655 360226718 /nfs/dbraw/zinc/22/67/18/360226718.db2.gz NTEPJZXJEMCVSK-UHFFFAOYSA-N 2 2 268.324 0.999 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000177147169 189031876 /nfs/dbraw/zinc/03/18/76/189031876.db2.gz WPLBOAWYUUITAW-UHFFFAOYSA-N 2 2 289.383 0.642 20 30 CCEDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCOCCC#N)CC1 ZINC000595512979 360558058 /nfs/dbraw/zinc/55/80/58/360558058.db2.gz PZIDRRCWWIQYIH-UHFFFAOYSA-N 2 2 283.416 0.989 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)C#N ZINC000596549753 360919074 /nfs/dbraw/zinc/91/90/74/360919074.db2.gz IVZJFBCRQFYFPP-UHFFFAOYSA-N 2 2 283.420 0.719 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)C#N ZINC000596549753 360919085 /nfs/dbraw/zinc/91/90/85/360919085.db2.gz IVZJFBCRQFYFPP-UHFFFAOYSA-N 2 2 283.420 0.719 20 30 CCEDLP OCC#CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720346 372166138 /nfs/dbraw/zinc/16/61/38/372166138.db2.gz IYAKXUUOJNUHQA-MRXNPFEDSA-N 2 2 274.364 0.209 20 30 CCEDLP OCC#CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720346 372166146 /nfs/dbraw/zinc/16/61/46/372166146.db2.gz IYAKXUUOJNUHQA-MRXNPFEDSA-N 2 2 274.364 0.209 20 30 CCEDLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000514774854 249103404 /nfs/dbraw/zinc/10/34/04/249103404.db2.gz SGWYNLXNJMSXKJ-MRXNPFEDSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C#N)cc1 ZINC000514774854 249103408 /nfs/dbraw/zinc/10/34/08/249103408.db2.gz SGWYNLXNJMSXKJ-MRXNPFEDSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000514774854 249103411 /nfs/dbraw/zinc/10/34/11/249103411.db2.gz SGWYNLXNJMSXKJ-MRXNPFEDSA-N 2 2 291.395 0.929 20 30 CCEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000514774854 249103414 /nfs/dbraw/zinc/10/34/14/249103414.db2.gz SGWYNLXNJMSXKJ-MRXNPFEDSA-N 2 2 291.395 0.929 20 30 CCEDLP CC#CC[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000339749106 389138388 /nfs/dbraw/zinc/13/83/88/389138388.db2.gz GOGLQIQGPXNSBU-CYBMUJFWSA-N 2 2 251.374 0.494 20 30 CCEDLP CC#CC[N@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000339749106 389138391 /nfs/dbraw/zinc/13/83/91/389138391.db2.gz GOGLQIQGPXNSBU-CYBMUJFWSA-N 2 2 251.374 0.494 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124416381 389161781 /nfs/dbraw/zinc/16/17/81/389161781.db2.gz HBJCYPLCGRKFMS-LBPRGKRZSA-N 2 2 250.346 0.896 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124416381 389161783 /nfs/dbraw/zinc/16/17/83/389161783.db2.gz HBJCYPLCGRKFMS-LBPRGKRZSA-N 2 2 250.346 0.896 20 30 CCEDLP CC[NH+]1CCN(C([O-])=[NH+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000330420941 389227799 /nfs/dbraw/zinc/22/77/99/389227799.db2.gz ZLELJXRFMFPKBJ-LBPRGKRZSA-N 2 2 265.361 0.823 20 30 CCEDLP CC[NH+]1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000330420941 389227802 /nfs/dbraw/zinc/22/78/02/389227802.db2.gz ZLELJXRFMFPKBJ-LBPRGKRZSA-N 2 2 265.361 0.823 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246554872 389230097 /nfs/dbraw/zinc/23/00/97/389230097.db2.gz DQWQSMRFAPFBMI-CABCVRRESA-N 2 2 295.427 0.721 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246554872 389230099 /nfs/dbraw/zinc/23/00/99/389230099.db2.gz DQWQSMRFAPFBMI-CABCVRRESA-N 2 2 295.427 0.721 20 30 CCEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000247457450 389240232 /nfs/dbraw/zinc/24/02/32/389240232.db2.gz QMHZVHRLARYCDQ-WFASDCNBSA-N 2 2 278.400 0.678 20 30 CCEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000247457450 389240234 /nfs/dbraw/zinc/24/02/34/389240234.db2.gz QMHZVHRLARYCDQ-WFASDCNBSA-N 2 2 278.400 0.678 20 30 CCEDLP CC#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000156480258 389326334 /nfs/dbraw/zinc/32/63/34/389326334.db2.gz XOBPPDXXDIRWFO-CQSZACIVSA-N 2 2 263.385 0.638 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])C1=O ZINC000420341054 389986247 /nfs/dbraw/zinc/98/62/47/389986247.db2.gz PSQSPSWUEKNXGA-UPJWGTAASA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])C1=O ZINC000420341054 389986249 /nfs/dbraw/zinc/98/62/49/389986249.db2.gz PSQSPSWUEKNXGA-UPJWGTAASA-N 2 2 251.374 0.833 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000554496827 390428680 /nfs/dbraw/zinc/42/86/80/390428680.db2.gz RHBDTZRYAJVPQS-UHFFFAOYSA-N 2 2 262.357 0.729 20 30 CCEDLP C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000649353882 390603954 /nfs/dbraw/zinc/60/39/54/390603954.db2.gz BLWVEXNNZONJEX-UONOGXRCSA-N 2 2 281.400 0.162 20 30 CCEDLP C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000649353882 390603956 /nfs/dbraw/zinc/60/39/56/390603956.db2.gz BLWVEXNNZONJEX-UONOGXRCSA-N 2 2 281.400 0.162 20 30 CCEDLP CC[C@@H](CC#N)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000567657121 390708892 /nfs/dbraw/zinc/70/88/92/390708892.db2.gz SPEFNFGLMBIGLB-LBPRGKRZSA-N 2 2 252.362 0.432 20 30 CCEDLP C[N@@H+]1CCN(C(=O)NCC2CCC(C#N)CC2)[C@H](C[NH3+])C1 ZINC000569947001 390716789 /nfs/dbraw/zinc/71/67/89/390716789.db2.gz KGCITVJJJNLTIJ-JXQTWKCFSA-N 2 2 293.415 0.601 20 30 CCEDLP C[N@H+]1CCN(C(=O)NCC2CCC(C#N)CC2)[C@H](C[NH3+])C1 ZINC000569947001 390716791 /nfs/dbraw/zinc/71/67/91/390716791.db2.gz KGCITVJJJNLTIJ-JXQTWKCFSA-N 2 2 293.415 0.601 20 30 CCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000570921109 390724606 /nfs/dbraw/zinc/72/46/06/390724606.db2.gz MWDIYOZZSQPRAI-CVEARBPZSA-N 2 2 294.443 0.799 20 30 CCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000570921109 390724609 /nfs/dbraw/zinc/72/46/09/390724609.db2.gz MWDIYOZZSQPRAI-CVEARBPZSA-N 2 2 294.443 0.799 20 30 CCEDLP Cc1cc(C#N)cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000578225258 390871909 /nfs/dbraw/zinc/87/19/09/390871909.db2.gz UEELFGALXFWSOW-AWEZNQCLSA-N 2 2 287.367 0.973 20 30 CCEDLP Cc1cc(C#N)cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000578225258 390871911 /nfs/dbraw/zinc/87/19/11/390871911.db2.gz UEELFGALXFWSOW-AWEZNQCLSA-N 2 2 287.367 0.973 20 30 CCEDLP Cn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1C#N ZINC000191471758 130241570 /nfs/dbraw/zinc/24/15/70/130241570.db2.gz JRZMHECATAOETH-ZDUSSCGKSA-N 2 2 250.346 0.299 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCSCC2)CC1 ZINC000089981382 260309231 /nfs/dbraw/zinc/30/92/31/260309231.db2.gz WRLAUHLBGJGIPA-UHFFFAOYSA-N 2 2 281.425 0.203 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCSCC2)CC1 ZINC000089981382 260309233 /nfs/dbraw/zinc/30/92/33/260309233.db2.gz WRLAUHLBGJGIPA-UHFFFAOYSA-N 2 2 281.425 0.203 20 30 CCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2CNC(=O)O2)cc1 ZINC000282350365 263076246 /nfs/dbraw/zinc/07/62/46/263076246.db2.gz WSMICSNXZKATFO-LBPRGKRZSA-N 2 2 292.339 0.494 20 30 CCEDLP C[C@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000564847470 327011222 /nfs/dbraw/zinc/01/12/22/327011222.db2.gz NLCGEISQPKOKID-CVEARBPZSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000564847470 327011223 /nfs/dbraw/zinc/01/12/23/327011223.db2.gz NLCGEISQPKOKID-CVEARBPZSA-N 2 2 296.459 0.903 20 30 CCEDLP C=CCNC(=[NH2+])NCc1cccnc1-n1cc[nH+]c1 ZINC000195522637 329693877 /nfs/dbraw/zinc/69/38/77/329693877.db2.gz ZQFWYAPPDUJSGC-UHFFFAOYSA-N 2 2 256.313 0.858 20 30 CCEDLP C=CC[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422859387 330157644 /nfs/dbraw/zinc/15/76/44/330157644.db2.gz KARXAGWKNWNBRT-JKSUJKDBSA-N 3 2 279.428 0.993 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491096077 332149072 /nfs/dbraw/zinc/14/90/72/332149072.db2.gz OYFUPDWYXBUFLE-INIZCTEOSA-N 2 2 285.391 0.990 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491096077 332149073 /nfs/dbraw/zinc/14/90/73/332149073.db2.gz OYFUPDWYXBUFLE-INIZCTEOSA-N 2 2 285.391 0.990 20 30 CCEDLP C#CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000491182128 332161935 /nfs/dbraw/zinc/16/19/35/332161935.db2.gz YIYPPOAIRGDDDU-UHFFFAOYSA-N 2 2 285.391 0.896 20 30 CCEDLP C#CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000491182128 332161936 /nfs/dbraw/zinc/16/19/36/332161936.db2.gz YIYPPOAIRGDDDU-UHFFFAOYSA-N 2 2 285.391 0.896 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)CC1 ZINC000491382550 332201482 /nfs/dbraw/zinc/20/14/82/332201482.db2.gz IUBAHBHLBYNOLQ-RRFJBIMHSA-N 2 2 277.412 0.740 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)CC1 ZINC000491382550 332201483 /nfs/dbraw/zinc/20/14/83/332201483.db2.gz IUBAHBHLBYNOLQ-RRFJBIMHSA-N 2 2 277.412 0.740 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CC2(C)C)CC1 ZINC000491617151 332244066 /nfs/dbraw/zinc/24/40/66/332244066.db2.gz KBOMEFRUFYEOAK-CYBMUJFWSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CC2(C)C)CC1 ZINC000491617151 332244067 /nfs/dbraw/zinc/24/40/67/332244067.db2.gz KBOMEFRUFYEOAK-CYBMUJFWSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CCNC(=O)C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000491678276 332282889 /nfs/dbraw/zinc/28/28/89/332282889.db2.gz SWDXDFVYUKVTIK-UHFFFAOYSA-N 2 2 274.368 0.653 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2COC)CC1 ZINC000491754635 332329483 /nfs/dbraw/zinc/32/94/83/332329483.db2.gz ULQGHYQRODMNTF-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2COC)CC1 ZINC000491754635 332329484 /nfs/dbraw/zinc/32/94/84/332329484.db2.gz ULQGHYQRODMNTF-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#C[C@H](C)[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000491803917 332357826 /nfs/dbraw/zinc/35/78/26/332357826.db2.gz JVVAUGIYSAPMEQ-WFASDCNBSA-N 2 2 277.368 0.814 20 30 CCEDLP 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293.411 0.568 20 30 CCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001077684194 817990508 /nfs/dbraw/zinc/99/05/08/817990508.db2.gz KYBCROXYHJAHRE-CHWSQXEVSA-N 2 2 281.400 0.066 20 30 CCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001077684194 817990513 /nfs/dbraw/zinc/99/05/13/817990513.db2.gz KYBCROXYHJAHRE-CHWSQXEVSA-N 2 2 281.400 0.066 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077684194 817990515 /nfs/dbraw/zinc/99/05/15/817990515.db2.gz KYBCROXYHJAHRE-CHWSQXEVSA-N 2 2 281.400 0.066 20 30 CCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001077684194 817990519 /nfs/dbraw/zinc/99/05/19/817990519.db2.gz KYBCROXYHJAHRE-CHWSQXEVSA-N 2 2 281.400 0.066 20 30 CCEDLP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001107817585 818029963 /nfs/dbraw/zinc/02/99/63/818029963.db2.gz UMBVLZYYKARHGR-ZBFHGGJFSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107817585 818029972 /nfs/dbraw/zinc/02/99/72/818029972.db2.gz UMBVLZYYKARHGR-ZBFHGGJFSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107817585 818029977 /nfs/dbraw/zinc/02/99/77/818029977.db2.gz UMBVLZYYKARHGR-ZBFHGGJFSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107817585 818029988 /nfs/dbraw/zinc/02/99/88/818029988.db2.gz UMBVLZYYKARHGR-ZBFHGGJFSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212487150 818198691 /nfs/dbraw/zinc/19/86/91/818198691.db2.gz UIOMBTOVJFEPDW-CHWSQXEVSA-N 2 2 281.400 0.165 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212487150 818198694 /nfs/dbraw/zinc/19/86/94/818198694.db2.gz UIOMBTOVJFEPDW-CHWSQXEVSA-N 2 2 281.400 0.165 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](OC)C1 ZINC001212487150 818198683 /nfs/dbraw/zinc/19/86/83/818198683.db2.gz UIOMBTOVJFEPDW-CHWSQXEVSA-N 2 2 281.400 0.165 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212487150 818198687 /nfs/dbraw/zinc/19/86/87/818198687.db2.gz UIOMBTOVJFEPDW-CHWSQXEVSA-N 2 2 281.400 0.165 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033264299 818683152 /nfs/dbraw/zinc/68/31/52/818683152.db2.gz CEVIRFIFLIAJEZ-CYBMUJFWSA-N 2 2 260.341 0.357 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001033264299 818683160 /nfs/dbraw/zinc/68/31/60/818683160.db2.gz CEVIRFIFLIAJEZ-CYBMUJFWSA-N 2 2 260.341 0.357 20 30 CCEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546210 819238680 /nfs/dbraw/zinc/23/86/80/819238680.db2.gz ATGOTFVLJNHTMC-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034546210 819238683 /nfs/dbraw/zinc/23/86/83/819238683.db2.gz ATGOTFVLJNHTMC-ZDUSSCGKSA-N 2 2 260.341 0.487 20 30 CCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034543370 819239743 /nfs/dbraw/zinc/23/97/43/819239743.db2.gz WYIXHHQDILEQJI-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034543370 819239749 /nfs/dbraw/zinc/23/97/49/819239749.db2.gz WYIXHHQDILEQJI-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034543370 819239754 /nfs/dbraw/zinc/23/97/54/819239754.db2.gz WYIXHHQDILEQJI-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034543370 819239761 /nfs/dbraw/zinc/23/97/61/819239761.db2.gz WYIXHHQDILEQJI-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001035376685 819509420 /nfs/dbraw/zinc/50/94/20/819509420.db2.gz SGVFNPPMGFBJDD-SOUVJXGZSA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035376685 819509425 /nfs/dbraw/zinc/50/94/25/819509425.db2.gz SGVFNPPMGFBJDD-SOUVJXGZSA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035376685 819509431 /nfs/dbraw/zinc/50/94/31/819509431.db2.gz SGVFNPPMGFBJDD-SOUVJXGZSA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035376685 819509433 /nfs/dbraw/zinc/50/94/33/819509433.db2.gz SGVFNPPMGFBJDD-SOUVJXGZSA-N 2 2 295.427 0.720 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001036315286 819724570 /nfs/dbraw/zinc/72/45/70/819724570.db2.gz SPSIYTBVWVOOCC-STQMWFEESA-N 2 2 260.341 0.343 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081036155 820669684 /nfs/dbraw/zinc/66/96/84/820669684.db2.gz SGKLMUYBSAJZLE-CHWSQXEVSA-N 2 2 262.357 0.896 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081036155 820669688 /nfs/dbraw/zinc/66/96/88/820669688.db2.gz SGKLMUYBSAJZLE-CHWSQXEVSA-N 2 2 262.357 0.896 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1OC ZINC001081811323 820842042 /nfs/dbraw/zinc/84/20/42/820842042.db2.gz RZGXCTLHPPSRFK-QLFBSQMISA-N 2 2 293.411 0.308 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1OC ZINC001081811323 820842054 /nfs/dbraw/zinc/84/20/54/820842054.db2.gz RZGXCTLHPPSRFK-QLFBSQMISA-N 2 2 293.411 0.308 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1OC ZINC001081811323 820842065 /nfs/dbraw/zinc/84/20/65/820842065.db2.gz RZGXCTLHPPSRFK-QLFBSQMISA-N 2 2 293.411 0.308 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1OC ZINC001081811323 820842076 /nfs/dbraw/zinc/84/20/76/820842076.db2.gz RZGXCTLHPPSRFK-QLFBSQMISA-N 2 2 293.411 0.308 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001082796704 821032980 /nfs/dbraw/zinc/03/29/80/821032980.db2.gz IHDDDILQBSXMQH-OUCADQQQSA-N 2 2 274.368 0.658 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001082796704 821032990 /nfs/dbraw/zinc/03/29/90/821032990.db2.gz IHDDDILQBSXMQH-OUCADQQQSA-N 2 2 274.368 0.658 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519897 821764308 /nfs/dbraw/zinc/76/43/08/821764308.db2.gz ZVPDXDHDSGVKJU-KGLIPLIRSA-N 2 2 263.385 0.637 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001085519897 821764312 /nfs/dbraw/zinc/76/43/12/821764312.db2.gz ZVPDXDHDSGVKJU-KGLIPLIRSA-N 2 2 263.385 0.637 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001085519897 821764316 /nfs/dbraw/zinc/76/43/16/821764316.db2.gz ZVPDXDHDSGVKJU-KGLIPLIRSA-N 2 2 263.385 0.637 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001085519897 821764320 /nfs/dbraw/zinc/76/43/20/821764320.db2.gz ZVPDXDHDSGVKJU-KGLIPLIRSA-N 2 2 263.385 0.637 20 30 CCEDLP C=CCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488124 837810752 /nfs/dbraw/zinc/81/07/52/837810752.db2.gz NCWXEQZJPMRXHC-LBPRGKRZSA-N 2 2 262.357 0.727 20 30 CCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394553 836004187 /nfs/dbraw/zinc/00/41/87/836004187.db2.gz IFHQBIAPLJNTSN-GOEBONIOSA-N 2 2 293.411 0.169 20 30 CCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394553 836004194 /nfs/dbraw/zinc/00/41/94/836004194.db2.gz IFHQBIAPLJNTSN-GOEBONIOSA-N 2 2 293.411 0.169 20 30 CCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108394553 836004204 /nfs/dbraw/zinc/00/42/04/836004204.db2.gz IFHQBIAPLJNTSN-GOEBONIOSA-N 2 2 293.411 0.169 20 30 CCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001108394553 836004216 /nfs/dbraw/zinc/00/42/16/836004216.db2.gz IFHQBIAPLJNTSN-GOEBONIOSA-N 2 2 293.411 0.169 20 30 CCEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112741875 836888896 /nfs/dbraw/zinc/88/88/96/836888896.db2.gz DPRRXBZRFLYITE-GJZGRUSLSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112741875 836888911 /nfs/dbraw/zinc/88/89/11/836888911.db2.gz DPRRXBZRFLYITE-GJZGRUSLSA-N 2 2 295.427 0.816 20 30 CCEDLP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135074748 839152657 /nfs/dbraw/zinc/15/26/57/839152657.db2.gz UDYOSCOPRYOGJX-QWHCGFSZSA-N 2 2 276.384 0.859 20 30 CCEDLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC#Cc1ccccc1 ZINC001135760572 839394023 /nfs/dbraw/zinc/39/40/23/839394023.db2.gz OBSFASWQQFRAJG-UHFFFAOYSA-N 2 2 282.347 0.710 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601929 839667088 /nfs/dbraw/zinc/66/70/88/839667088.db2.gz WDTMXVCVJQNSMT-QWHCGFSZSA-N 2 2 278.356 0.080 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601929 839667096 /nfs/dbraw/zinc/66/70/96/839667096.db2.gz WDTMXVCVJQNSMT-QWHCGFSZSA-N 2 2 278.356 0.080 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001092136892 840997821 /nfs/dbraw/zinc/99/78/21/840997821.db2.gz ASVFLNQCUMVDJF-DOMZBBRYSA-N 2 2 272.352 0.366 20 30 CCEDLP 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WUFDUQQVCXRFLZ-ZDUSSCGKSA-N 2 2 293.334 0.902 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(C)on2)CC1 ZINC001353322149 925795794 /nfs/dbraw/zinc/79/57/94/925795794.db2.gz DBGHKKLHHXFNFW-UHFFFAOYSA-N 2 2 290.367 0.999 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CC)CSC)CC1 ZINC000091097527 349449790 /nfs/dbraw/zinc/44/97/90/349449790.db2.gz OUCVFCZRZRWPSL-CQSZACIVSA-N 2 2 297.468 0.837 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CC)CSC)CC1 ZINC000091097527 349449792 /nfs/dbraw/zinc/44/97/92/349449792.db2.gz OUCVFCZRZRWPSL-CQSZACIVSA-N 2 2 297.468 0.837 20 30 CCEDLP CN(C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(C#N)CCCCC1 ZINC000107574261 349738786 /nfs/dbraw/zinc/73/87/86/349738786.db2.gz DGGLGZRQDWOYJK-OKILXGFUSA-N 2 2 290.411 0.822 20 30 CCEDLP CN(C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(C#N)CCCCC1 ZINC000107574261 349738790 /nfs/dbraw/zinc/73/87/90/349738790.db2.gz DGGLGZRQDWOYJK-OKILXGFUSA-N 2 2 290.411 0.822 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000600742270 362051337 /nfs/dbraw/zinc/05/13/37/362051337.db2.gz JOHIVZDGPCCPQT-ZIAGYGMSSA-N 2 2 281.400 0.478 20 30 CCEDLP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000600742270 362051342 /nfs/dbraw/zinc/05/13/42/362051342.db2.gz JOHIVZDGPCCPQT-ZIAGYGMSSA-N 2 2 281.400 0.478 20 30 CCEDLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000358169417 529809810 /nfs/dbraw/zinc/80/98/10/529809810.db2.gz PIGBPVLCBNHGBD-LBPRGKRZSA-N 2 2 251.355 0.776 20 30 CCEDLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000358169417 529809811 /nfs/dbraw/zinc/80/98/11/529809811.db2.gz PIGBPVLCBNHGBD-LBPRGKRZSA-N 2 2 251.355 0.776 20 30 CCEDLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602016010 362458076 /nfs/dbraw/zinc/45/80/76/362458076.db2.gz CMBZDZVMJBIZCS-CQSZACIVSA-N 2 2 263.316 0.854 20 30 CCEDLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602016010 362458081 /nfs/dbraw/zinc/45/80/81/362458081.db2.gz CMBZDZVMJBIZCS-CQSZACIVSA-N 2 2 263.316 0.854 20 30 CCEDLP C[NH+](C)CC(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602764814 362788693 /nfs/dbraw/zinc/78/86/93/362788693.db2.gz YRTRZBJFPDYDIY-UHFFFAOYSA-N 2 2 264.373 0.386 20 30 CCEDLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851755 362839056 /nfs/dbraw/zinc/83/90/56/362839056.db2.gz XOUKVCAPHNOSKB-IHRRRGAJSA-N 2 2 268.405 0.217 20 30 CCEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851755 362839060 /nfs/dbraw/zinc/83/90/60/362839060.db2.gz XOUKVCAPHNOSKB-IHRRRGAJSA-N 2 2 268.405 0.217 20 30 CCEDLP C[C@@H](CC#N)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000602862842 362847090 /nfs/dbraw/zinc/84/70/90/362847090.db2.gz MFNFVHGBFDGUDB-NSHDSACASA-N 2 2 264.373 0.621 20 30 CCEDLP COCCNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000066246659 348738570 /nfs/dbraw/zinc/73/85/70/348738570.db2.gz SSZLADYQDWXJME-UHFFFAOYSA-N 2 2 265.361 0.824 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)CCCC)CC1 ZINC000081648758 349278354 /nfs/dbraw/zinc/27/83/54/349278354.db2.gz QXRDNLNGYXTJQI-UHFFFAOYSA-N 2 2 265.401 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)CCCC)CC1 ZINC000081648758 349278356 /nfs/dbraw/zinc/27/83/56/349278356.db2.gz QXRDNLNGYXTJQI-UHFFFAOYSA-N 2 2 265.401 0.886 20 30 CCEDLP N#Cc1ccc(CNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000603910268 363171291 /nfs/dbraw/zinc/17/12/91/363171291.db2.gz MTLUZEHJZNNGFR-GASCZTMLSA-N 2 2 284.363 0.326 20 30 CCEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000603910268 363171294 /nfs/dbraw/zinc/17/12/94/363171294.db2.gz MTLUZEHJZNNGFR-GASCZTMLSA-N 2 2 284.363 0.326 20 30 CCEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453634 352515003 /nfs/dbraw/zinc/51/50/03/352515003.db2.gz PYGQKDYWUORGAG-OBJOEFQTSA-N 2 2 264.373 0.192 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604389809 363193865 /nfs/dbraw/zinc/19/38/65/363193865.db2.gz VEVDCAPGHBFMLO-GJZGRUSLSA-N 2 2 294.443 0.389 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389809 363193867 /nfs/dbraw/zinc/19/38/67/363193867.db2.gz VEVDCAPGHBFMLO-GJZGRUSLSA-N 2 2 294.443 0.389 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000330277959 354315286 /nfs/dbraw/zinc/31/52/86/354315286.db2.gz OZRVKGMKJDJDRF-CHWSQXEVSA-N 2 2 289.383 0.892 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000330277959 354315289 /nfs/dbraw/zinc/31/52/89/354315289.db2.gz OZRVKGMKJDJDRF-CHWSQXEVSA-N 2 2 289.383 0.892 20 30 CCEDLP C[NH+](C)CCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000559273093 291079404 /nfs/dbraw/zinc/07/94/04/291079404.db2.gz YCBPSIOMKJYGEN-UHFFFAOYSA-N 2 2 258.329 0.642 20 30 CCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366481758 357216730 /nfs/dbraw/zinc/21/67/30/357216730.db2.gz LJOYJQTUQTVDKL-HNNXBMFYSA-N 2 2 278.400 0.776 20 30 CCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366481758 357216733 /nfs/dbraw/zinc/21/67/33/357216733.db2.gz LJOYJQTUQTVDKL-HNNXBMFYSA-N 2 2 278.400 0.776 20 30 CCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366481758 357216736 /nfs/dbraw/zinc/21/67/36/357216736.db2.gz LJOYJQTUQTVDKL-HNNXBMFYSA-N 2 2 278.400 0.776 20 30 CCEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366481758 357216740 /nfs/dbraw/zinc/21/67/40/357216740.db2.gz LJOYJQTUQTVDKL-HNNXBMFYSA-N 2 2 278.400 0.776 20 30 CCEDLP C[NH+](C)CCN1CC[N@H+](CCC(C)(C)C#N)CC1=O ZINC000593048651 360020353 /nfs/dbraw/zinc/02/03/53/360020353.db2.gz GTGMXISJVUEJJH-UHFFFAOYSA-N 2 2 266.389 0.632 20 30 CCEDLP C[NH+](C)CCN1CC[N@@H+](CCC(C)(C)C#N)CC1=O ZINC000593048651 360020354 /nfs/dbraw/zinc/02/03/54/360020354.db2.gz GTGMXISJVUEJJH-UHFFFAOYSA-N 2 2 266.389 0.632 20 30 CCEDLP C[C@H](CCC#N)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053064 360021580 /nfs/dbraw/zinc/02/15/80/360021580.db2.gz WECVUUDGMNEZQC-GFCCVEGCSA-N 2 2 252.362 0.384 20 30 CCEDLP C[C@H](CCC#N)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053064 360021585 /nfs/dbraw/zinc/02/15/85/360021585.db2.gz WECVUUDGMNEZQC-GFCCVEGCSA-N 2 2 252.362 0.384 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)C#N ZINC000597989914 361298123 /nfs/dbraw/zinc/29/81/23/361298123.db2.gz NFSILASLDWKDLW-UHFFFAOYSA-N 2 2 254.378 0.536 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)C#N ZINC000597989914 361298125 /nfs/dbraw/zinc/29/81/25/361298125.db2.gz NFSILASLDWKDLW-UHFFFAOYSA-N 2 2 254.378 0.536 20 30 CCEDLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)CC(C)(C)C#N)c1 ZINC000598727850 361497797 /nfs/dbraw/zinc/49/77/97/361497797.db2.gz KFFYOWQEICMOQE-GFCCVEGCSA-N 2 2 250.346 0.853 20 30 CCEDLP C=CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000625704249 368299647 /nfs/dbraw/zinc/29/96/47/368299647.db2.gz WVBDUFUMHPXZDF-KGLIPLIRSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000625704249 368299654 /nfs/dbraw/zinc/29/96/54/368299654.db2.gz WVBDUFUMHPXZDF-KGLIPLIRSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000625704249 368299659 /nfs/dbraw/zinc/29/96/59/368299659.db2.gz WVBDUFUMHPXZDF-KGLIPLIRSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000625704249 368299663 /nfs/dbraw/zinc/29/96/63/368299663.db2.gz WVBDUFUMHPXZDF-KGLIPLIRSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CCn1cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)nn1 ZINC000639274392 375689074 /nfs/dbraw/zinc/68/90/74/375689074.db2.gz JEZHBHBEIWNSCV-UHFFFAOYSA-N 2 2 293.415 0.789 20 30 CCEDLP CNC(NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)=[NH+]C ZINC000304362219 389083216 /nfs/dbraw/zinc/08/32/16/389083216.db2.gz YACZERBYYMYFHP-UHFFFAOYSA-N 3 2 281.448 0.732 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000337129560 389045972 /nfs/dbraw/zinc/04/59/72/389045972.db2.gz JBJFRYXQIHFSHU-ZDUSSCGKSA-N 2 2 251.374 0.799 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371848 389096237 /nfs/dbraw/zinc/09/62/37/389096237.db2.gz OVAFTRNWSOZAPR-CQSZACIVSA-N 2 2 280.416 0.000 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107371848 389096239 /nfs/dbraw/zinc/09/62/39/389096239.db2.gz OVAFTRNWSOZAPR-CQSZACIVSA-N 2 2 280.416 0.000 20 30 CCEDLP C#CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000127136605 389172801 /nfs/dbraw/zinc/17/28/01/389172801.db2.gz RJNNWRNQYCXVBS-UHFFFAOYSA-N 2 2 278.400 0.477 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420382767 389995307 /nfs/dbraw/zinc/99/53/07/389995307.db2.gz DDQBNCZBSUUEJW-QWHCGFSZSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420382767 389995309 /nfs/dbraw/zinc/99/53/09/389995309.db2.gz DDQBNCZBSUUEJW-QWHCGFSZSA-N 2 2 294.399 0.462 20 30 CCEDLP C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)C[NH+]1CCOCC1 ZINC000191149800 130191123 /nfs/dbraw/zinc/19/11/23/130191123.db2.gz TZUSMOOSIVIUHC-CYBMUJFWSA-N 2 2 276.384 0.955 20 30 CCEDLP C=C(C)[C@H](CO)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649624874 397650027 /nfs/dbraw/zinc/65/00/27/397650027.db2.gz JYCAOTGCFQDCNG-AWEZNQCLSA-N 2 2 268.401 0.750 20 30 CCEDLP C=CC1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000653555665 412317204 /nfs/dbraw/zinc/31/72/04/412317204.db2.gz OAFGVVOVQCVWSA-CQSZACIVSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CC1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000653555665 412317206 /nfs/dbraw/zinc/31/72/06/412317206.db2.gz OAFGVVOVQCVWSA-CQSZACIVSA-N 2 2 256.390 0.824 20 30 CCEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)COC ZINC000661241504 414584271 /nfs/dbraw/zinc/58/42/71/414584271.db2.gz ZLMCIIQAAHNGER-GXTWGEPZSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H](C)COC ZINC000661241504 414584273 /nfs/dbraw/zinc/58/42/73/414584273.db2.gz ZLMCIIQAAHNGER-GXTWGEPZSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)COC ZINC000661241504 414584278 /nfs/dbraw/zinc/58/42/78/414584278.db2.gz ZLMCIIQAAHNGER-GXTWGEPZSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)COC ZINC000661241504 414584280 /nfs/dbraw/zinc/58/42/80/414584280.db2.gz ZLMCIIQAAHNGER-GXTWGEPZSA-N 2 2 256.390 0.964 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NCc1ccn(C)c1 ZINC000262777866 262787189 /nfs/dbraw/zinc/78/71/89/262787189.db2.gz JZFKZNSWVMIXTN-UHFFFAOYSA-N 2 2 295.456 0.739 20 30 CCEDLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000330816721 264046136 /nfs/dbraw/zinc/04/61/36/264046136.db2.gz MVYZCXFXIDLJMA-GFCCVEGCSA-N 2 2 291.399 0.698 20 30 CCEDLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330816721 264046138 /nfs/dbraw/zinc/04/61/38/264046138.db2.gz MVYZCXFXIDLJMA-GFCCVEGCSA-N 2 2 291.399 0.698 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)C#N)C2)CC1 ZINC000369268034 267230902 /nfs/dbraw/zinc/23/09/02/267230902.db2.gz QXFXLKWRBSIBLL-LBPRGKRZSA-N 2 2 278.400 0.821 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)C#N)C2)CC1 ZINC000369268034 267230903 /nfs/dbraw/zinc/23/09/03/267230903.db2.gz QXFXLKWRBSIBLL-LBPRGKRZSA-N 2 2 278.400 0.821 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000346240128 298135681 /nfs/dbraw/zinc/13/56/81/298135681.db2.gz GRIFIXWUUFYHKF-CHWSQXEVSA-N 2 2 278.400 0.821 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000346240128 298135684 /nfs/dbraw/zinc/13/56/84/298135684.db2.gz GRIFIXWUUFYHKF-CHWSQXEVSA-N 2 2 278.400 0.821 20 30 CCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2OCCO2)cc1 ZINC000279865026 328233519 /nfs/dbraw/zinc/23/35/19/328233519.db2.gz KUMARFPUUYNISR-UHFFFAOYSA-N 2 2 279.340 0.758 20 30 CCEDLP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCOCC1(C)C ZINC000170914959 329072477 /nfs/dbraw/zinc/07/24/77/329072477.db2.gz IUZLNLVKKBSRHW-UHFFFAOYSA-N 2 2 254.378 0.578 20 30 CCEDLP C=C(C)CNC(=[NH2+])NCC[N@H+]1CCOCC1(C)C ZINC000170914959 329072479 /nfs/dbraw/zinc/07/24/79/329072479.db2.gz IUZLNLVKKBSRHW-UHFFFAOYSA-N 2 2 254.378 0.578 20 30 CCEDLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000173640902 329150284 /nfs/dbraw/zinc/15/02/84/329150284.db2.gz UCZUSUWUYQBDBE-CYBMUJFWSA-N 2 2 296.415 0.447 20 30 CCEDLP N#CCC[C@H](C#N)C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582780385 329183898 /nfs/dbraw/zinc/18/38/98/329183898.db2.gz MPXKZRGYZHCJOJ-ZIAGYGMSSA-N 2 2 291.399 0.607 20 30 CCEDLP N#CCC[C@H](C#N)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582780385 329183899 /nfs/dbraw/zinc/18/38/99/329183899.db2.gz MPXKZRGYZHCJOJ-ZIAGYGMSSA-N 2 2 291.399 0.607 20 30 CCEDLP C=C(C)CNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000261986368 329994439 /nfs/dbraw/zinc/99/44/39/329994439.db2.gz KDDMVCYYRXSFDS-CQSZACIVSA-N 2 2 298.456 0.675 20 30 CCEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])NCC2CCC2)n1C ZINC000262552588 330021011 /nfs/dbraw/zinc/02/10/11/330021011.db2.gz ZHYJBHGXJDJUKK-UHFFFAOYSA-N 2 2 264.377 0.691 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC[C@H]1CCOC1 ZINC000262754180 330029484 /nfs/dbraw/zinc/02/94/84/330029484.db2.gz AQFZYYYALSVQIO-GFCCVEGCSA-N 2 2 286.445 0.237 20 30 CCEDLP C=C(C)CNC(=[NH2+])NCC(C)(C)[NH+]1CCOCC1 ZINC000263239737 330050337 /nfs/dbraw/zinc/05/03/37/330050337.db2.gz KWOIJUUPUAKEGH-UHFFFAOYSA-N 2 2 254.378 0.578 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCCc2c[nH+]cn2C)CC1 ZINC000491020965 332139635 /nfs/dbraw/zinc/13/96/35/332139635.db2.gz JHTFTBOGJLBAFU-UHFFFAOYSA-N 2 2 274.368 0.424 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H]2CC)CC1 ZINC000491040534 332141972 /nfs/dbraw/zinc/14/19/72/332141972.db2.gz UMIPONGRTXPHCP-LSDHHAIUSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H]2CC)CC1 ZINC000491040534 332141973 /nfs/dbraw/zinc/14/19/73/332141973.db2.gz UMIPONGRTXPHCP-LSDHHAIUSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[N@H+](C)CCCNc1nc(N)c2ccccc2[nH+]1 ZINC000491100601 332149823 /nfs/dbraw/zinc/14/98/23/332149823.db2.gz HFQSMTLJDSCTMO-UHFFFAOYSA-N 2 2 269.352 0.831 20 30 CCEDLP C#CC[N@@H+](C)CCCNc1nc(N)c2ccccc2[nH+]1 ZINC000491100601 332149825 /nfs/dbraw/zinc/14/98/25/332149825.db2.gz HFQSMTLJDSCTMO-UHFFFAOYSA-N 2 2 269.352 0.831 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000491220282 332168525 /nfs/dbraw/zinc/16/85/25/332168525.db2.gz MDWIUSOKUQUXRJ-UHFFFAOYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000491786002 332348661 /nfs/dbraw/zinc/34/86/61/332348661.db2.gz SWKNRDNIOSKEHO-MRXNPFEDSA-N 2 2 287.407 0.888 20 30 CCEDLP C[C@@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1cc[nH+]c1 ZINC000566308501 334641922 /nfs/dbraw/zinc/64/19/22/334641922.db2.gz HQQGPHGOYRTPGX-AAEUAGOBSA-N 2 2 263.345 0.794 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000336124984 526482077 /nfs/dbraw/zinc/48/20/77/526482077.db2.gz WTRQALCLNIAJIY-UKRRQHHQSA-N 2 2 263.385 0.801 20 30 CCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000336124984 526482080 /nfs/dbraw/zinc/48/20/80/526482080.db2.gz WTRQALCLNIAJIY-UKRRQHHQSA-N 2 2 263.385 0.801 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000336124984 526482083 /nfs/dbraw/zinc/48/20/83/526482083.db2.gz WTRQALCLNIAJIY-UKRRQHHQSA-N 2 2 263.385 0.801 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000336124984 526482085 /nfs/dbraw/zinc/48/20/85/526482085.db2.gz WTRQALCLNIAJIY-UKRRQHHQSA-N 2 2 263.385 0.801 20 30 CCEDLP C=C[C@@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667642301 545152354 /nfs/dbraw/zinc/15/23/54/545152354.db2.gz WGRFMKZAPRGIRL-CQSZACIVSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668640716 545184808 /nfs/dbraw/zinc/18/48/08/545184808.db2.gz WTXLZHQTJLLMON-DOMZBBRYSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668640716 545184809 /nfs/dbraw/zinc/18/48/09/545184809.db2.gz WTXLZHQTJLLMON-DOMZBBRYSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C[C@@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668640718 545184942 /nfs/dbraw/zinc/18/49/42/545184942.db2.gz WTXLZHQTJLLMON-SWLSCSKDSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C[C@@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668640718 545184943 /nfs/dbraw/zinc/18/49/43/545184943.db2.gz WTXLZHQTJLLMON-SWLSCSKDSA-N 2 2 281.400 0.208 20 30 CCEDLP C#CC[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000727238642 581313681 /nfs/dbraw/zinc/31/36/81/581313681.db2.gz LSQXWQLMTIMNPC-UHFFFAOYSA-N 2 2 293.411 0.361 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000752933518 581521697 /nfs/dbraw/zinc/52/16/97/581521697.db2.gz NGZCSZZTUYLVTM-AWEZNQCLSA-N 2 2 281.400 0.427 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000730276743 581690180 /nfs/dbraw/zinc/69/01/80/581690180.db2.gz BLWIAZAVERVQAN-AWEZNQCLSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000730276743 581690182 /nfs/dbraw/zinc/69/01/82/581690182.db2.gz BLWIAZAVERVQAN-AWEZNQCLSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000730281049 581691563 /nfs/dbraw/zinc/69/15/63/581691563.db2.gz MSYDXPRRJBHZGI-CQSZACIVSA-N 2 2 265.401 0.740 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770027254 581725533 /nfs/dbraw/zinc/72/55/33/581725533.db2.gz HCZYGYRILGDCOR-LBPRGKRZSA-N 2 2 260.341 0.349 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770027254 581725535 /nfs/dbraw/zinc/72/55/35/581725535.db2.gz HCZYGYRILGDCOR-LBPRGKRZSA-N 2 2 260.341 0.349 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000758203381 581726611 /nfs/dbraw/zinc/72/66/11/581726611.db2.gz SRRFARYBOHXOAL-YUELXQCFSA-N 2 2 275.396 0.683 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000758203381 581726613 /nfs/dbraw/zinc/72/66/13/581726613.db2.gz SRRFARYBOHXOAL-YUELXQCFSA-N 2 2 275.396 0.683 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000758203381 581726616 /nfs/dbraw/zinc/72/66/16/581726616.db2.gz SRRFARYBOHXOAL-YUELXQCFSA-N 2 2 275.396 0.683 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000758203381 581726620 /nfs/dbraw/zinc/72/66/20/581726620.db2.gz SRRFARYBOHXOAL-YUELXQCFSA-N 2 2 275.396 0.683 20 30 CCEDLP C[N@@H+](CC(=O)NCCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000741252685 581740579 /nfs/dbraw/zinc/74/05/79/581740579.db2.gz SEKWIQUWBPBMCA-LBPRGKRZSA-N 2 2 252.362 0.290 20 30 CCEDLP C[N@H+](CC(=O)NCCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000741252685 581740583 /nfs/dbraw/zinc/74/05/83/581740583.db2.gz SEKWIQUWBPBMCA-LBPRGKRZSA-N 2 2 252.362 0.290 20 30 CCEDLP C[NH+](CC(=O)NCCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000741252685 581740587 /nfs/dbraw/zinc/74/05/87/581740587.db2.gz SEKWIQUWBPBMCA-LBPRGKRZSA-N 2 2 252.362 0.290 20 30 CCEDLP C[NH+](CC(=O)NCCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000741252685 581740591 /nfs/dbraw/zinc/74/05/91/581740591.db2.gz SEKWIQUWBPBMCA-LBPRGKRZSA-N 2 2 252.362 0.290 20 30 CCEDLP C#CCNC(=O)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000731846734 581783031 /nfs/dbraw/zinc/78/30/31/581783031.db2.gz NBXALWJRYCMGIV-UHFFFAOYSA-N 2 2 251.374 0.542 20 30 CCEDLP C#CCNC(=O)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000731846734 581783035 /nfs/dbraw/zinc/78/30/35/581783035.db2.gz NBXALWJRYCMGIV-UHFFFAOYSA-N 2 2 251.374 0.542 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000732277939 581814949 /nfs/dbraw/zinc/81/49/49/581814949.db2.gz SMMHFYULMJJFDY-AWEZNQCLSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000732277939 581814951 /nfs/dbraw/zinc/81/49/51/581814951.db2.gz SMMHFYULMJJFDY-AWEZNQCLSA-N 2 2 263.385 0.638 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000763960600 582022689 /nfs/dbraw/zinc/02/26/89/582022689.db2.gz DUWXKQGNXNOLLI-UHFFFAOYSA-N 2 2 288.395 0.844 20 30 CCEDLP C#C[C@@H]([NH2+]CCC[NH2+][C@@H](C#C)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000775791537 582038640 /nfs/dbraw/zinc/03/86/40/582038640.db2.gz VXHXYWVDJKMOSR-ZYGGUILKSA-N 2 2 290.407 0.917 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000847417136 613009484 /nfs/dbraw/zinc/00/94/84/613009484.db2.gz WRPQAYXHIYVFBD-CQSZACIVSA-N 2 2 263.385 0.496 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000847417136 613009485 /nfs/dbraw/zinc/00/94/85/613009485.db2.gz WRPQAYXHIYVFBD-CQSZACIVSA-N 2 2 263.385 0.496 20 30 CCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnn(CCF)c1 ZINC000922147063 613078772 /nfs/dbraw/zinc/07/87/72/613078772.db2.gz ICZOXHLILCVCQW-UHFFFAOYSA-N 2 2 252.337 0.897 20 30 CCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnn(CCF)c1 ZINC000922147063 613078774 /nfs/dbraw/zinc/07/87/74/613078774.db2.gz ICZOXHLILCVCQW-UHFFFAOYSA-N 2 2 252.337 0.897 20 30 CCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000876746626 613387859 /nfs/dbraw/zinc/38/78/59/613387859.db2.gz MEHQVLTZKVPSJB-WDEREUQCSA-N 2 2 275.780 0.293 20 30 CCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000876746626 613387860 /nfs/dbraw/zinc/38/78/60/613387860.db2.gz MEHQVLTZKVPSJB-WDEREUQCSA-N 2 2 275.780 0.293 20 30 CCEDLP C#CCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000880484360 612973546 /nfs/dbraw/zinc/97/35/46/612973546.db2.gz WDMUZYWBRFHWIX-AWEZNQCLSA-N 2 2 266.385 0.292 20 30 CCEDLP C#CCC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000880484360 612973547 /nfs/dbraw/zinc/97/35/47/612973547.db2.gz WDMUZYWBRFHWIX-AWEZNQCLSA-N 2 2 266.385 0.292 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969136686 612962865 /nfs/dbraw/zinc/96/28/65/612962865.db2.gz YUTAQAMSGGHSBS-CHWSQXEVSA-N 2 2 272.352 0.269 20 30 CCEDLP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000960336509 612971022 /nfs/dbraw/zinc/97/10/22/612971022.db2.gz GYYCNRLQRQQDPJ-NVXWUHKLSA-N 2 2 294.358 0.888 20 30 CCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000922147291 613079013 /nfs/dbraw/zinc/07/90/13/613079013.db2.gz RBBLFBJNFWHLNR-UHFFFAOYSA-N 2 2 276.384 0.538 20 30 CCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000922147291 613079016 /nfs/dbraw/zinc/07/90/16/613079016.db2.gz RBBLFBJNFWHLNR-UHFFFAOYSA-N 2 2 276.384 0.538 20 30 CCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971812301 613084065 /nfs/dbraw/zinc/08/40/65/613084065.db2.gz XGORJMJLGMLQAW-UONOGXRCSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971812301 613084067 /nfs/dbraw/zinc/08/40/67/613084067.db2.gz XGORJMJLGMLQAW-UONOGXRCSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970445441 613123280 /nfs/dbraw/zinc/12/32/80/613123280.db2.gz RUFPQDAXLQVLKF-IACUBPJLSA-N 2 2 286.379 0.593 20 30 CCEDLP C#CC[NH+]1CCC(NC(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000922820917 613134087 /nfs/dbraw/zinc/13/40/87/613134087.db2.gz IGENTCXEAXHODX-UHFFFAOYSA-N 2 2 289.383 0.359 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000923576370 613165422 /nfs/dbraw/zinc/16/54/22/613165422.db2.gz NYQHEBMYTANDEV-CQSZACIVSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000923576370 613165423 /nfs/dbraw/zinc/16/54/23/613165423.db2.gz NYQHEBMYTANDEV-CQSZACIVSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000905463144 613192826 /nfs/dbraw/zinc/19/28/26/613192826.db2.gz XRSIXPZFYKZWMX-GJZGRUSLSA-N 2 2 265.401 0.130 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC[C@H](O)C[NH+]2CCCC2)C1 ZINC000905463144 613192828 /nfs/dbraw/zinc/19/28/28/613192828.db2.gz XRSIXPZFYKZWMX-GJZGRUSLSA-N 2 2 265.401 0.130 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947759175 613227365 /nfs/dbraw/zinc/22/73/65/613227365.db2.gz YPPILGHYZYSGJD-NWDGAFQWSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947759175 613227366 /nfs/dbraw/zinc/22/73/66/613227366.db2.gz YPPILGHYZYSGJD-NWDGAFQWSA-N 2 2 260.341 0.555 20 30 CCEDLP 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C#CCC[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331439 790905079 /nfs/dbraw/zinc/90/50/79/790905079.db2.gz LKCWGMGXVDJVSS-UHFFFAOYSA-N 2 2 274.368 0.852 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266544788 790906522 /nfs/dbraw/zinc/90/65/22/790906522.db2.gz IXHYIQPTCBOGHB-LBPRGKRZSA-N 2 2 260.341 0.332 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266544788 790906526 /nfs/dbraw/zinc/90/65/26/790906526.db2.gz IXHYIQPTCBOGHB-LBPRGKRZSA-N 2 2 260.341 0.332 20 30 CCEDLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000402168542 791093839 /nfs/dbraw/zinc/09/38/39/791093839.db2.gz AOZSWJCAFBEEEA-YPMHNXCESA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000402168542 791093846 /nfs/dbraw/zinc/09/38/46/791093846.db2.gz AOZSWJCAFBEEEA-YPMHNXCESA-N 2 2 263.341 0.577 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001278403301 807074761 /nfs/dbraw/zinc/07/47/61/807074761.db2.gz 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C=CCOCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302748 803646607 /nfs/dbraw/zinc/64/66/07/803646607.db2.gz GXGIODXQIULVOR-ZDUSSCGKSA-N 2 2 292.383 0.735 20 30 CCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210668342 803656611 /nfs/dbraw/zinc/65/66/11/803656611.db2.gz MCXXHDNTFDUNED-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531186 803748105 /nfs/dbraw/zinc/74/81/05/803748105.db2.gz REZIPDQNTIELGW-CHWSQXEVSA-N 2 2 274.368 0.802 20 30 CCEDLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402282765 803819415 /nfs/dbraw/zinc/81/94/15/803819415.db2.gz VCGIISHVQZIVTQ-WCQYABFASA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402282765 803819425 /nfs/dbraw/zinc/81/94/25/803819425.db2.gz VCGIISHVQZIVTQ-WCQYABFASA-N 2 2 263.341 0.577 20 30 CCEDLP CCc1nc2c(c(O[C@H]3C[NH2+]C[C@@H]3C#N)n1)C[NH2+]C2 ZINC001218203348 803936429 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0.572 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441400 804603946 /nfs/dbraw/zinc/60/39/46/804603946.db2.gz APENVKUOVYPTGJ-MCIONIFRSA-N 2 2 292.383 0.572 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441957 804605611 /nfs/dbraw/zinc/60/56/11/804605611.db2.gz UFBHVKGQXQJIRC-MJBXVCDLSA-N 2 2 290.367 0.019 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441957 804605616 /nfs/dbraw/zinc/60/56/16/804605616.db2.gz UFBHVKGQXQJIRC-MJBXVCDLSA-N 2 2 290.367 0.019 20 30 CCEDLP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220597204 804634308 /nfs/dbraw/zinc/63/43/08/804634308.db2.gz ZEHSNRXFAVYANI-XGWLTEMNSA-N 2 2 296.374 0.613 20 30 CCEDLP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220597202 804634560 /nfs/dbraw/zinc/63/45/60/804634560.db2.gz ZEHSNRXFAVYANI-SRCQZFHVSA-N 2 2 296.374 0.613 20 30 CCEDLP C#CCCC1(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)N=N1 ZINC001221408201 804810548 /nfs/dbraw/zinc/81/05/48/804810548.db2.gz HWUBOIVUJTYLLE-SMDDNHRTSA-N 2 2 275.356 0.020 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)[C@H]1C ZINC001088631402 815044120 /nfs/dbraw/zinc/04/41/20/815044120.db2.gz JMWQRNCIYPKFKR-PMPSAXMXSA-N 2 2 287.407 0.686 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)[C@H]1C ZINC001088631402 815044128 /nfs/dbraw/zinc/04/41/28/815044128.db2.gz JMWQRNCIYPKFKR-PMPSAXMXSA-N 2 2 287.407 0.686 20 30 CCEDLP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)[C@H]1C ZINC001088631402 815044136 /nfs/dbraw/zinc/04/41/36/815044136.db2.gz JMWQRNCIYPKFKR-PMPSAXMXSA-N 2 2 287.407 0.686 20 30 CCEDLP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)[C@H]1C ZINC001088631402 815044138 /nfs/dbraw/zinc/04/41/38/815044138.db2.gz JMWQRNCIYPKFKR-PMPSAXMXSA-N 2 2 287.407 0.686 20 30 CCEDLP C=CCOCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229356182 805524668 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C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@@H](O)C1 ZINC001083505298 815178282 /nfs/dbraw/zinc/17/82/82/815178282.db2.gz IAXPXEYABGBPTH-MCIONIFRSA-N 2 2 281.400 0.208 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](O)C1 ZINC001083505298 815178287 /nfs/dbraw/zinc/17/82/87/815178287.db2.gz IAXPXEYABGBPTH-MCIONIFRSA-N 2 2 281.400 0.208 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505298 815178292 /nfs/dbraw/zinc/17/82/92/815178292.db2.gz IAXPXEYABGBPTH-MCIONIFRSA-N 2 2 281.400 0.208 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](O)C1 ZINC001083505298 815178294 /nfs/dbraw/zinc/17/82/94/815178294.db2.gz IAXPXEYABGBPTH-MCIONIFRSA-N 2 2 281.400 0.208 20 30 CCEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256616248 808540360 /nfs/dbraw/zinc/54/03/60/808540360.db2.gz MQYHBUPWFCNYME-AZWZAMPBSA-N 2 2 253.346 0.437 20 30 CCEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C 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20 30 CCEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001263812178 809575378 /nfs/dbraw/zinc/57/53/78/809575378.db2.gz IOKYGWXMELIXLK-GJZGRUSLSA-N 2 2 277.412 0.884 20 30 CCEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001263812178 809575382 /nfs/dbraw/zinc/57/53/82/809575382.db2.gz IOKYGWXMELIXLK-GJZGRUSLSA-N 2 2 277.412 0.884 20 30 CCEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001264374291 809645823 /nfs/dbraw/zinc/64/58/23/809645823.db2.gz DFXQRRCRLHCPNN-CQSZACIVSA-N 2 2 281.400 0.427 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001264374291 809645828 /nfs/dbraw/zinc/64/58/28/809645828.db2.gz DFXQRRCRLHCPNN-CQSZACIVSA-N 2 2 281.400 0.427 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001265294845 809748361 /nfs/dbraw/zinc/74/83/61/809748361.db2.gz LERWFGCWEHAKDW-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001265294845 809748367 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C=CC[NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001492064231 907686472 /nfs/dbraw/zinc/68/64/72/907686472.db2.gz OXOKUQRMORJKCY-LBPRGKRZSA-N 2 2 250.346 0.944 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317205490 907946440 /nfs/dbraw/zinc/94/64/40/907946440.db2.gz PKCMKSMGUUHFJO-QWHCGFSZSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317205490 907946453 /nfs/dbraw/zinc/94/64/53/907946453.db2.gz PKCMKSMGUUHFJO-QWHCGFSZSA-N 2 2 274.368 0.802 20 30 CCEDLP CC#CC[N@H+](CC)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001316902564 908828903 /nfs/dbraw/zinc/82/89/03/908828903.db2.gz BLQRUIUWAWZZJS-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP CC#CC[N@@H+](CC)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001316902564 908828922 /nfs/dbraw/zinc/82/89/22/908828922.db2.gz BLQRUIUWAWZZJS-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP C#CCC[N@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317451885 909223856 /nfs/dbraw/zinc/22/38/56/909223856.db2.gz SPDNMWFOIOIZGZ-CYBMUJFWSA-N 2 2 274.368 0.517 20 30 CCEDLP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317451885 909223871 /nfs/dbraw/zinc/22/38/71/909223871.db2.gz SPDNMWFOIOIZGZ-CYBMUJFWSA-N 2 2 274.368 0.517 20 30 CCEDLP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001320467595 910690810 /nfs/dbraw/zinc/69/08/10/910690810.db2.gz CUXJTWCAYYEKPP-UONOGXRCSA-N 2 2 288.395 0.953 20 30 CCEDLP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001329474742 915948605 /nfs/dbraw/zinc/94/86/05/915948605.db2.gz NJFRYJKDYIASAP-STQMWFEESA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001329474742 915948611 /nfs/dbraw/zinc/94/86/11/915948611.db2.gz NJFRYJKDYIASAP-STQMWFEESA-N 2 2 274.368 0.515 20 30 CCEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001330054804 916384137 /nfs/dbraw/zinc/38/41/37/916384137.db2.gz RBFPFKKFXVLJSL-NSHDSACASA-N 2 2 262.357 0.965 20 30 CCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(=O)OCC)n[nH]1 ZINC001331569903 917424469 /nfs/dbraw/zinc/42/44/69/917424469.db2.gz RRFBWZLMXHDIGV-UHFFFAOYSA-N 2 2 278.356 0.631 20 30 CCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(=O)OCC)n[nH]1 ZINC001331569903 917424478 /nfs/dbraw/zinc/42/44/78/917424478.db2.gz RRFBWZLMXHDIGV-UHFFFAOYSA-N 2 2 278.356 0.631 20 30 CCEDLP C#CC[NH2+]CC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC001340032214 921923454 /nfs/dbraw/zinc/92/34/54/921923454.db2.gz BWVNMJJUTYVCBJ-UHFFFAOYSA-N 2 2 283.335 0.415 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC001342351601 922925454 /nfs/dbraw/zinc/92/54/54/922925454.db2.gz ZVTNRZFJWSYRCX-UONOGXRCSA-N 2 2 283.416 0.897 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC001342351601 922925464 /nfs/dbraw/zinc/92/54/64/922925464.db2.gz ZVTNRZFJWSYRCX-UONOGXRCSA-N 2 2 283.416 0.897 20 30 CCEDLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC001342609362 923023319 /nfs/dbraw/zinc/02/33/19/923023319.db2.gz SFAJZSZDHPHJAZ-STQMWFEESA-N 2 2 282.388 0.235 20 30 CCEDLP C#CC[NH2+]CC(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001353572853 925874527 /nfs/dbraw/zinc/87/45/27/925874527.db2.gz ZVPHMBOYAXSUHO-CQSZACIVSA-N 2 2 293.411 0.359 20 30 CCEDLP C=C(CO)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001443779265 929701162 /nfs/dbraw/zinc/70/11/62/929701162.db2.gz LQLYSVKLASVGPO-CQSZACIVSA-N 2 2 281.400 0.162 20 30 CCEDLP C=C(CO)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001443779265 929701170 /nfs/dbraw/zinc/70/11/70/929701170.db2.gz LQLYSVKLASVGPO-CQSZACIVSA-N 2 2 281.400 0.162 20 30 CCEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000057906390 348618669 /nfs/dbraw/zinc/61/86/69/348618669.db2.gz WWDLSOYMEJJAFT-UHFFFAOYSA-N 2 2 278.400 0.822 20 30 CCEDLP C=CCC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926853 349412796 /nfs/dbraw/zinc/41/27/96/349412796.db2.gz XBVNIGRWRQGJMJ-ZDUSSCGKSA-N 2 2 264.373 0.869 20 30 CCEDLP N#Cc1ccc(CNC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000603910270 363171353 /nfs/dbraw/zinc/17/13/53/363171353.db2.gz MTLUZEHJZNNGFR-HUUCEWRRSA-N 2 2 284.363 0.326 20 30 CCEDLP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCOCC1 ZINC000262019453 352569527 /nfs/dbraw/zinc/56/95/27/352569527.db2.gz XEKBBURCGLZKOB-UHFFFAOYSA-N 2 2 277.372 0.409 20 30 CCEDLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397821171 357772832 /nfs/dbraw/zinc/77/28/32/357772832.db2.gz KVQXCPODRNOCCC-UONOGXRCSA-N 2 2 269.389 0.551 20 30 CCEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397821171 357772834 /nfs/dbraw/zinc/77/28/34/357772834.db2.gz KVQXCPODRNOCCC-UONOGXRCSA-N 2 2 269.389 0.551 20 30 CCEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397821171 357772836 /nfs/dbraw/zinc/77/28/36/357772836.db2.gz KVQXCPODRNOCCC-UONOGXRCSA-N 2 2 269.389 0.551 20 30 CCEDLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397821171 357772838 /nfs/dbraw/zinc/77/28/38/357772838.db2.gz KVQXCPODRNOCCC-UONOGXRCSA-N 2 2 269.389 0.551 20 30 CCEDLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591742695 359651313 /nfs/dbraw/zinc/65/13/13/359651313.db2.gz AEGRBBLDGZLPPJ-LSDHHAIUSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc(C#N)cc1 ZINC000595939788 360716721 /nfs/dbraw/zinc/71/67/21/360716721.db2.gz ZXXHZVJFQDLALW-AWEZNQCLSA-N 2 2 274.368 0.496 20 30 CCEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000615778103 365086650 /nfs/dbraw/zinc/08/66/50/365086650.db2.gz NASPEOGSIYFZMY-SDDRHHMPSA-N 2 2 262.357 0.089 20 30 CCEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000615778103 365086658 /nfs/dbraw/zinc/08/66/58/365086658.db2.gz NASPEOGSIYFZMY-SDDRHHMPSA-N 2 2 262.357 0.089 20 30 CCEDLP CC#CC[NH2+]Cc1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641156505 376818569 /nfs/dbraw/zinc/81/85/69/376818569.db2.gz UAVGJFMUBZHVKP-UHFFFAOYSA-N 2 2 258.329 0.779 20 30 CCEDLP C#CCNC(=O)CC[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000293681906 388986521 /nfs/dbraw/zinc/98/65/21/388986521.db2.gz BBBVCCBNZUFPCL-GFCCVEGCSA-N 2 2 294.424 0.235 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104719158 389084419 /nfs/dbraw/zinc/08/44/19/389084419.db2.gz NNPJWJZFVHFCRQ-UHFFFAOYSA-N 2 2 290.367 0.514 20 30 CCEDLP N#CCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000338993473 389120488 /nfs/dbraw/zinc/12/04/88/389120488.db2.gz TUCJODDRAREMTC-OAHLLOKOSA-N 2 2 281.400 0.961 20 30 CCEDLP N#CCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000338993473 389120489 /nfs/dbraw/zinc/12/04/89/389120489.db2.gz TUCJODDRAREMTC-OAHLLOKOSA-N 2 2 281.400 0.961 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000112920615 389128739 /nfs/dbraw/zinc/12/87/39/389128739.db2.gz VZIMXDPVCJJAHC-UHFFFAOYSA-N 2 2 285.391 0.896 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000112920615 389128743 /nfs/dbraw/zinc/12/87/43/389128743.db2.gz VZIMXDPVCJJAHC-UHFFFAOYSA-N 2 2 285.391 0.896 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554952 389199509 /nfs/dbraw/zinc/19/95/09/389199509.db2.gz ZYIKANLZHKGCPV-SMDDNHRTSA-N 2 2 280.372 0.072 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554952 389199512 /nfs/dbraw/zinc/19/95/12/389199512.db2.gz ZYIKANLZHKGCPV-SMDDNHRTSA-N 2 2 280.372 0.072 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123696096 389157170 /nfs/dbraw/zinc/15/71/70/389157170.db2.gz BANAQFKBDNLLBO-NSHDSACASA-N 2 2 270.377 0.303 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123696096 389157172 /nfs/dbraw/zinc/15/71/72/389157172.db2.gz BANAQFKBDNLLBO-NSHDSACASA-N 2 2 270.377 0.303 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247947600 389243377 /nfs/dbraw/zinc/24/33/77/389243377.db2.gz DRCKCNNXAQKYDP-CHWSQXEVSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247947600 389243380 /nfs/dbraw/zinc/24/33/80/389243380.db2.gz DRCKCNNXAQKYDP-CHWSQXEVSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247947600 389243382 /nfs/dbraw/zinc/24/33/82/389243382.db2.gz DRCKCNNXAQKYDP-CHWSQXEVSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247947600 389243384 /nfs/dbraw/zinc/24/33/84/389243384.db2.gz DRCKCNNXAQKYDP-CHWSQXEVSA-N 2 2 251.374 0.705 20 30 CCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCC#N ZINC000345834167 389316064 /nfs/dbraw/zinc/31/60/64/389316064.db2.gz DNOMMWOCVNRUHA-UHFFFAOYSA-N 2 2 295.431 0.958 20 30 CCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCC#N ZINC000345834167 389316066 /nfs/dbraw/zinc/31/60/66/389316066.db2.gz DNOMMWOCVNRUHA-UHFFFAOYSA-N 2 2 295.431 0.958 20 30 CCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn[nH]c1C ZINC000262009360 389279561 /nfs/dbraw/zinc/27/95/61/389279561.db2.gz SQOILWBUKKWMJU-GFCCVEGCSA-N 2 2 264.377 0.607 20 30 CCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn[nH]c1C ZINC000262009360 389279563 /nfs/dbraw/zinc/27/95/63/389279563.db2.gz SQOILWBUKKWMJU-GFCCVEGCSA-N 2 2 264.377 0.607 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420363397 389992831 /nfs/dbraw/zinc/99/28/31/389992831.db2.gz IAFIJFRJIBCHPB-SWLSCSKDSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420363397 389992832 /nfs/dbraw/zinc/99/28/32/389992832.db2.gz IAFIJFRJIBCHPB-SWLSCSKDSA-N 2 2 294.399 0.462 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(C3CC3)CC2)CC1 ZINC000490947683 390108804 /nfs/dbraw/zinc/10/88/04/390108804.db2.gz AIKKUMBXPQQYEY-UHFFFAOYSA-N 2 2 261.369 0.296 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000491483586 390113895 /nfs/dbraw/zinc/11/38/95/390113895.db2.gz CKJOKKSUWXYXKJ-ZDUSSCGKSA-N 2 2 274.368 0.798 20 30 CCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000491743771 390116507 /nfs/dbraw/zinc/11/65/07/390116507.db2.gz MSUIIVNGJMQLIY-BARDWOONSA-N 2 2 268.401 0.704 20 30 CCEDLP C#C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000491743771 390116508 /nfs/dbraw/zinc/11/65/08/390116508.db2.gz MSUIIVNGJMQLIY-BARDWOONSA-N 2 2 268.401 0.704 20 30 CCEDLP N#Cc1ccc2ncc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)n2c1 ZINC000537281296 390177086 /nfs/dbraw/zinc/17/70/86/390177086.db2.gz YXVPNCFUFYGEAZ-HNNXBMFYSA-N 2 2 299.378 0.752 20 30 CCEDLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281678133 195332755 /nfs/dbraw/zinc/33/27/55/195332755.db2.gz MBMLPBSFCOKMOL-UHFFFAOYSA-N 2 2 277.368 0.971 20 30 CCEDLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281678133 195332757 /nfs/dbraw/zinc/33/27/57/195332757.db2.gz MBMLPBSFCOKMOL-UHFFFAOYSA-N 2 2 277.368 0.971 20 30 CCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000562442885 390489965 /nfs/dbraw/zinc/48/99/65/390489965.db2.gz AGXYZNYHPUDSSA-CYBMUJFWSA-N 2 2 289.383 0.972 20 30 CCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000562442885 390489968 /nfs/dbraw/zinc/48/99/68/390489968.db2.gz AGXYZNYHPUDSSA-CYBMUJFWSA-N 2 2 289.383 0.972 20 30 CCEDLP Cn1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1C#N ZINC000190855913 130154707 /nfs/dbraw/zinc/15/47/07/130154707.db2.gz YXJHELDJJFHJJF-UHFFFAOYSA-N 2 2 276.384 0.833 20 30 CCEDLP C#CC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000263822299 131339348 /nfs/dbraw/zinc/33/93/48/131339348.db2.gz YJNUGHNHSSEXAS-UHFFFAOYSA-N 2 2 285.391 0.896 20 30 CCEDLP C#CC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000263822299 131339350 /nfs/dbraw/zinc/33/93/50/131339350.db2.gz YJNUGHNHSSEXAS-UHFFFAOYSA-N 2 2 285.391 0.896 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nccnc3C#N)C2)CC1 ZINC000369264037 144260336 /nfs/dbraw/zinc/26/03/36/144260336.db2.gz ABCXXOZSPFMLOV-LBPRGKRZSA-N 2 2 286.383 0.929 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nccnc3C#N)C2)CC1 ZINC000369264037 144260338 /nfs/dbraw/zinc/26/03/38/144260338.db2.gz ABCXXOZSPFMLOV-LBPRGKRZSA-N 2 2 286.383 0.929 20 30 CCEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000552096566 286152626 /nfs/dbraw/zinc/15/26/26/286152626.db2.gz FLWXIJFSLMXLBA-CMPLNLGQSA-N 2 2 260.345 0.222 20 30 CCEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000552096566 286152627 /nfs/dbraw/zinc/15/26/27/286152627.db2.gz FLWXIJFSLMXLBA-CMPLNLGQSA-N 2 2 260.345 0.222 20 30 CCEDLP C=CC[C@]1(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662721483 414746354 /nfs/dbraw/zinc/74/63/54/414746354.db2.gz WYALCVWJGJLOQI-SQWLQELKSA-N 2 2 295.427 0.910 20 30 CCEDLP C=CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)COC ZINC000662853472 414844500 /nfs/dbraw/zinc/84/45/00/414844500.db2.gz GJLDIQWSGGMPAP-VXGBXAGGSA-N 2 2 257.378 0.315 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)C#N)CC1 ZINC000354660338 227060612 /nfs/dbraw/zinc/06/06/12/227060612.db2.gz SFGCOVFGKKAESJ-UHFFFAOYSA-N 2 2 295.431 0.861 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407989387 260153534 /nfs/dbraw/zinc/15/35/34/260153534.db2.gz HCBNNQFIVQBXIN-QLFBSQMISA-N 2 2 290.411 0.917 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407989387 260153535 /nfs/dbraw/zinc/15/35/35/260153535.db2.gz HCBNNQFIVQBXIN-QLFBSQMISA-N 2 2 290.411 0.917 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365377807 262362424 /nfs/dbraw/zinc/36/24/24/262362424.db2.gz IRCIHNKRARJGTM-QWHCGFSZSA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365377807 262362426 /nfs/dbraw/zinc/36/24/26/262362426.db2.gz IRCIHNKRARJGTM-QWHCGFSZSA-N 2 2 251.374 0.540 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792791 329538783 /nfs/dbraw/zinc/53/87/83/329538783.db2.gz VZVBUZWKXFOGFH-UHFFFAOYSA-N 2 2 291.355 0.532 20 30 CCEDLP C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nn1 ZINC000424368639 330348063 /nfs/dbraw/zinc/34/80/63/330348063.db2.gz BNQCLHNYRIQMIO-KFWWJZLASA-N 2 2 291.399 0.711 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000490605727 332094992 /nfs/dbraw/zinc/09/49/92/332094992.db2.gz UCQZRTUDIAGYFG-CQSZACIVSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000490605727 332094993 /nfs/dbraw/zinc/09/49/93/332094993.db2.gz UCQZRTUDIAGYFG-CQSZACIVSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)CCC)CC1 ZINC000490839432 332119216 /nfs/dbraw/zinc/11/92/16/332119216.db2.gz INEJHUVUWSOJNJ-CQSZACIVSA-N 2 2 265.401 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)CCC)CC1 ZINC000490839432 332119217 /nfs/dbraw/zinc/11/92/17/332119217.db2.gz INEJHUVUWSOJNJ-CQSZACIVSA-N 2 2 265.401 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](COC)C(C)C)CC1 ZINC000490950890 332132762 /nfs/dbraw/zinc/13/27/62/332132762.db2.gz UUXFXVUOIIUDRQ-AWEZNQCLSA-N 2 2 281.400 0.024 20 30 CCEDLP C#CC[N@@H+](C)CCCNc1[nH+]cnc(-n2cccn2)c1N ZINC000491702315 332296363 /nfs/dbraw/zinc/29/63/63/332296363.db2.gz VSDXZIYNPLUONG-UHFFFAOYSA-N 2 2 285.355 0.612 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)[C@H](C)CCC)CC1 ZINC000491792100 332352946 /nfs/dbraw/zinc/35/29/46/332352946.db2.gz DEUMSSHKTWWWNS-CABCVRRESA-N 2 2 295.427 0.151 20 30 CCEDLP C[NH+](C)C1(CNC[C@H](O)C[N@H+](C)CCC#N)CCCC1 ZINC000576028924 335143195 /nfs/dbraw/zinc/14/31/95/335143195.db2.gz DUXQCDDLGXILSK-AWEZNQCLSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+](C)C1(CNC[C@H](O)C[N@@H+](C)CCC#N)CCCC1 ZINC000576028924 335143196 /nfs/dbraw/zinc/14/31/96/335143196.db2.gz DUXQCDDLGXILSK-AWEZNQCLSA-N 2 2 282.432 0.657 20 30 CCEDLP N#CCNC(=O)C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000547683182 334109114 /nfs/dbraw/zinc/10/91/14/334109114.db2.gz DICVRBJFVLFDAC-LBPRGKRZSA-N 2 2 287.367 0.648 20 30 CCEDLP N#CCNC(=O)C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000547683182 334109115 /nfs/dbraw/zinc/10/91/15/334109115.db2.gz DICVRBJFVLFDAC-LBPRGKRZSA-N 2 2 287.367 0.648 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000564922467 334528424 /nfs/dbraw/zinc/52/84/24/334528424.db2.gz NJLSRKCZCDWGMW-LBPRGKRZSA-N 2 2 280.397 0.910 20 30 CCEDLP C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C[NH+]1CCOCC1 ZINC000567160888 334685081 /nfs/dbraw/zinc/68/50/81/334685081.db2.gz BCZDCGRTLNVBSP-ZIAGYGMSSA-N 2 2 264.373 0.988 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000577515098 335363626 /nfs/dbraw/zinc/36/36/26/335363626.db2.gz XTTWHLFPCYIFFP-GHMZBOCLSA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000577515098 335363627 /nfs/dbraw/zinc/36/36/27/335363627.db2.gz XTTWHLFPCYIFFP-GHMZBOCLSA-N 2 2 268.361 0.057 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581346910 336055655 /nfs/dbraw/zinc/05/56/55/336055655.db2.gz DOEAOAXRRWAONT-GFCCVEGCSA-N 2 2 290.371 0.292 20 30 CCEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@@H+]1C ZINC000347065629 533896299 /nfs/dbraw/zinc/89/62/99/533896299.db2.gz YKEAKMDGLQRMFY-CHWSQXEVSA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2(C#N)CCC2)CC[N@H+]1C ZINC000347065629 533896307 /nfs/dbraw/zinc/89/63/07/533896307.db2.gz YKEAKMDGLQRMFY-CHWSQXEVSA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1C ZINC000347065629 533896313 /nfs/dbraw/zinc/89/63/13/533896313.db2.gz YKEAKMDGLQRMFY-CHWSQXEVSA-N 2 2 278.400 0.963 20 30 CCEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCC2)CC[NH+]1C ZINC000347065629 533896322 /nfs/dbraw/zinc/89/63/22/533896322.db2.gz YKEAKMDGLQRMFY-CHWSQXEVSA-N 2 2 278.400 0.963 20 30 CCEDLP CC(C)(CNC(=O)C[N@@H+]1CCCOCC1)[NH+]1CCOCC1 ZINC000329270602 526946863 /nfs/dbraw/zinc/94/68/63/526946863.db2.gz IWYCKDPHTJRVJH-UHFFFAOYSA-N 2 2 299.415 0.776 20 30 CCEDLP CC(C)(CNC(=O)C[N@H+]1CCCOCC1)[NH+]1CCOCC1 ZINC000329270602 526946868 /nfs/dbraw/zinc/94/68/68/526946868.db2.gz IWYCKDPHTJRVJH-UHFFFAOYSA-N 2 2 299.415 0.776 20 30 CCEDLP COCC#CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000677820013 545373374 /nfs/dbraw/zinc/37/33/74/545373374.db2.gz TZYZYZWZWMHDRI-RRFJBIMHSA-N 2 2 266.385 0.820 20 30 CCEDLP COCC#CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000677820013 545373375 /nfs/dbraw/zinc/37/33/75/545373375.db2.gz TZYZYZWZWMHDRI-RRFJBIMHSA-N 2 2 266.385 0.820 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000791351374 581216339 /nfs/dbraw/zinc/21/63/39/581216339.db2.gz FFMALIJJQXHQHN-CHWSQXEVSA-N 2 2 269.389 0.330 20 30 CCEDLP C[C@H]1CC[N@H+](CC(=O)NCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000767433498 581613508 /nfs/dbraw/zinc/61/35/08/581613508.db2.gz JCNDXRGZIKYKIO-QWHCGFSZSA-N 2 2 275.356 0.796 20 30 CCEDLP C[C@H]1CC[N@@H+](CC(=O)NCCC#N)C[C@H]1n1cc[nH+]c1 ZINC000767433498 581613510 /nfs/dbraw/zinc/61/35/10/581613510.db2.gz JCNDXRGZIKYKIO-QWHCGFSZSA-N 2 2 275.356 0.796 20 30 CCEDLP C#CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000740885081 581722826 /nfs/dbraw/zinc/72/28/26/581722826.db2.gz YNXLCVZXLCJNEK-OLZOCXBDSA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000740885081 581722829 /nfs/dbraw/zinc/72/28/29/581722829.db2.gz YNXLCVZXLCJNEK-OLZOCXBDSA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000740885081 581722831 /nfs/dbraw/zinc/72/28/31/581722831.db2.gz YNXLCVZXLCJNEK-OLZOCXBDSA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000740885081 581722833 /nfs/dbraw/zinc/72/28/33/581722833.db2.gz YNXLCVZXLCJNEK-OLZOCXBDSA-N 2 2 251.374 0.540 20 30 CCEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000770027675 581725505 /nfs/dbraw/zinc/72/55/05/581725505.db2.gz YATWYZNIXBKJQM-LBPRGKRZSA-N 2 2 275.356 0.629 20 30 CCEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NCCC#N)C1 ZINC000770027675 581725507 /nfs/dbraw/zinc/72/55/07/581725507.db2.gz YATWYZNIXBKJQM-LBPRGKRZSA-N 2 2 275.356 0.629 20 30 CCEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000743862187 581828337 /nfs/dbraw/zinc/82/83/37/581828337.db2.gz DNPUNTOAJGKECS-CYBMUJFWSA-N 2 2 266.389 0.680 20 30 CCEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000743862187 581828340 /nfs/dbraw/zinc/82/83/40/581828340.db2.gz DNPUNTOAJGKECS-CYBMUJFWSA-N 2 2 266.389 0.680 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000746260335 581905545 /nfs/dbraw/zinc/90/55/45/581905545.db2.gz VPWWHSFQAVNGNT-AWEZNQCLSA-N 2 2 265.401 0.884 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000764623465 582058709 /nfs/dbraw/zinc/05/87/09/582058709.db2.gz BIWIJSHQOVOGSU-ZDUSSCGKSA-N 2 2 274.368 0.894 20 30 CCEDLP C#CC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000843076642 613058511 /nfs/dbraw/zinc/05/85/11/613058511.db2.gz IWXKPZIWAVFPCM-CVEARBPZSA-N 2 2 276.380 0.453 20 30 CCEDLP C#CC[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000843076642 613058512 /nfs/dbraw/zinc/05/85/12/613058512.db2.gz IWXKPZIWAVFPCM-CVEARBPZSA-N 2 2 276.380 0.453 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000876746625 613389963 /nfs/dbraw/zinc/38/99/63/613389963.db2.gz MEHQVLTZKVPSJB-QWRGUYRKSA-N 2 2 275.780 0.293 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000876746625 613389964 /nfs/dbraw/zinc/38/99/64/613389964.db2.gz MEHQVLTZKVPSJB-QWRGUYRKSA-N 2 2 275.780 0.293 20 30 CCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000949796278 612991193 /nfs/dbraw/zinc/99/11/93/612991193.db2.gz GKGPAHNRKOFNRG-CQSZACIVSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000949796278 612991194 /nfs/dbraw/zinc/99/11/94/612991194.db2.gz GKGPAHNRKOFNRG-CQSZACIVSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000123247275 613010141 /nfs/dbraw/zinc/01/01/41/613010141.db2.gz MSYDXPRRJBHZGI-AWEZNQCLSA-N 2 2 265.401 0.740 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326069 613117939 /nfs/dbraw/zinc/11/79/39/613117939.db2.gz MZVQIQXHACIFCU-UKRRQHHQSA-N 2 2 293.411 0.165 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326069 613117940 /nfs/dbraw/zinc/11/79/40/613117940.db2.gz MZVQIQXHACIFCU-UKRRQHHQSA-N 2 2 293.411 0.165 20 30 CCEDLP C#C[C@](C)(CC)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000852097144 613164530 /nfs/dbraw/zinc/16/45/30/613164530.db2.gz MIUINJPFBHCDEH-MRXNPFEDSA-N 2 2 295.427 0.605 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000923566615 613189603 /nfs/dbraw/zinc/18/96/03/613189603.db2.gz MPHAJAWXFSKTRP-CABCVRRESA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000923566615 613189604 /nfs/dbraw/zinc/18/96/04/613189604.db2.gz MPHAJAWXFSKTRP-CABCVRRESA-N 2 2 293.411 0.169 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000840458531 613201971 /nfs/dbraw/zinc/20/19/71/613201971.db2.gz YSBSTQGKJMVNSK-GJZGRUSLSA-N 2 2 293.411 0.047 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000840458531 613201972 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CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977616666 613282458 /nfs/dbraw/zinc/28/24/58/613282458.db2.gz OMISGKGWJAQWRE-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977616666 613282459 /nfs/dbraw/zinc/28/24/59/613282459.db2.gz OMISGKGWJAQWRE-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977616666 613282460 /nfs/dbraw/zinc/28/24/60/613282460.db2.gz OMISGKGWJAQWRE-ZIAGYGMSSA-N 2 2 293.411 0.167 20 30 CCEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969442810 613302275 /nfs/dbraw/zinc/30/22/75/613302275.db2.gz TVFUWLSYIKAXPX-JSGCOSHPSA-N 2 2 281.400 0.330 20 30 CCEDLP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969442810 613302277 /nfs/dbraw/zinc/30/22/77/613302277.db2.gz TVFUWLSYIKAXPX-JSGCOSHPSA-N 2 2 281.400 0.330 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000804435092 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C=CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H](C)COC ZINC000852358636 613651401 /nfs/dbraw/zinc/65/14/01/613651401.db2.gz WNHRFRHWGBLOCI-ZIAGYGMSSA-N 2 2 256.390 0.966 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961738906 613637852 /nfs/dbraw/zinc/63/78/52/613637852.db2.gz YVTWVOCKVDCKCW-RMRHIDDWSA-N 2 2 298.390 0.899 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961738906 613637855 /nfs/dbraw/zinc/63/78/55/613637855.db2.gz YVTWVOCKVDCKCW-RMRHIDDWSA-N 2 2 298.390 0.899 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943755958 613745079 /nfs/dbraw/zinc/74/50/79/613745079.db2.gz JQHFPUGRZQOAHL-NWDGAFQWSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943755958 613745082 /nfs/dbraw/zinc/74/50/82/613745082.db2.gz JQHFPUGRZQOAHL-NWDGAFQWSA-N 2 2 262.357 0.965 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000827971773 615860835 /nfs/dbraw/zinc/86/08/35/615860835.db2.gz HALCNFBUOVPHRT-UHFFFAOYSA-N 2 2 256.309 0.858 20 30 CCEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)CC3(C#N)CCC3)C[C@H]21 ZINC000931275943 615998624 /nfs/dbraw/zinc/99/86/24/615998624.db2.gz CKPARXQDBBAHIK-MQYQWHSLSA-N 2 2 263.385 0.923 20 30 CCEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCC3)C[C@H]21 ZINC000931275943 615998627 /nfs/dbraw/zinc/99/86/27/615998627.db2.gz CKPARXQDBBAHIK-MQYQWHSLSA-N 2 2 263.385 0.923 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514617 616067434 /nfs/dbraw/zinc/06/74/34/616067434.db2.gz CZSFSKCWFHCOFD-UHFFFAOYSA-N 2 2 287.367 0.784 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514617 616067435 /nfs/dbraw/zinc/06/74/35/616067435.db2.gz CZSFSKCWFHCOFD-UHFFFAOYSA-N 2 2 287.367 0.784 20 30 CCEDLP C[NH+]1CCN(c2ncc(C=[NH+]OCC3CC3)cn2)CC1 ZINC000814244832 616247697 /nfs/dbraw/zinc/24/76/97/616247697.db2.gz KDYAABLYHVVHGJ-UHFFFAOYSA-N 2 2 275.356 0.989 20 30 CCEDLP COC(=O)CC[NH+]1CCC(=[NH+]n2cccn2)CC1 ZINC000863164460 616552674 /nfs/dbraw/zinc/55/26/74/616552674.db2.gz KSNHCVLIUJVVFB-UHFFFAOYSA-N 2 2 250.302 0.746 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCF)C1 ZINC001023423998 623026272 /nfs/dbraw/zinc/02/62/72/623026272.db2.gz LIVBGYLDBLDJRL-CABCVRRESA-N 2 2 295.402 0.882 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCF)C1 ZINC001023423998 623026282 /nfs/dbraw/zinc/02/62/82/623026282.db2.gz LIVBGYLDBLDJRL-CABCVRRESA-N 2 2 295.402 0.882 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCF)C1 ZINC001023423998 623026289 /nfs/dbraw/zinc/02/62/89/623026289.db2.gz LIVBGYLDBLDJRL-CABCVRRESA-N 2 2 295.402 0.882 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCF)C1 ZINC001023423998 623026296 /nfs/dbraw/zinc/02/62/96/623026296.db2.gz LIVBGYLDBLDJRL-CABCVRRESA-N 2 2 295.402 0.882 20 30 CCEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)NC[C@H]1CCCO1 ZINC000195522534 625619878 /nfs/dbraw/zinc/61/98/78/625619878.db2.gz JVNFANOHFOHUMX-GFCCVEGCSA-N 2 2 277.372 0.967 20 30 CCEDLP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001024365534 623301528 /nfs/dbraw/zinc/30/15/28/623301528.db2.gz CEDZGAUZRUAFBO-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001024365534 623301530 /nfs/dbraw/zinc/30/15/30/623301530.db2.gz CEDZGAUZRUAFBO-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001024365534 623301539 /nfs/dbraw/zinc/30/15/39/623301539.db2.gz CEDZGAUZRUAFBO-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388727 625865495 /nfs/dbraw/zinc/86/54/95/625865495.db2.gz SNUAKWFZZSPHHG-ZDUSSCGKSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388727 625865498 /nfs/dbraw/zinc/86/54/98/625865498.db2.gz SNUAKWFZZSPHHG-ZDUSSCGKSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCF)C1 ZINC001027446593 625887639 /nfs/dbraw/zinc/88/76/39/625887639.db2.gz OTKQVEKSLXGOFI-GJZGRUSLSA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCF)C1 ZINC001027446593 625887640 /nfs/dbraw/zinc/88/76/40/625887640.db2.gz OTKQVEKSLXGOFI-GJZGRUSLSA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCF)C1 ZINC001027446593 625887643 /nfs/dbraw/zinc/88/76/43/625887643.db2.gz OTKQVEKSLXGOFI-GJZGRUSLSA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H]1C ZINC000986416974 632754465 /nfs/dbraw/zinc/75/44/65/632754465.db2.gz FHSNYJWIELYXTP-JSGCOSHPSA-N 2 2 287.363 0.845 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008307850 650109242 /nfs/dbraw/zinc/10/92/42/650109242.db2.gz YKTVPQXRIHCYJJ-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008307850 650109243 /nfs/dbraw/zinc/10/92/43/650109243.db2.gz YKTVPQXRIHCYJJ-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008307850 650109245 /nfs/dbraw/zinc/10/92/45/650109245.db2.gz YKTVPQXRIHCYJJ-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008307850 650109246 /nfs/dbraw/zinc/10/92/46/650109246.db2.gz YKTVPQXRIHCYJJ-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989675802 633342167 /nfs/dbraw/zinc/34/21/67/633342167.db2.gz MPDHOMPHCAMJKD-VXGBXAGGSA-N 2 2 260.341 0.175 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC000992829897 637615945 /nfs/dbraw/zinc/61/59/45/637615945.db2.gz FTGUMIOMGUBMBF-NWANDNLSSA-N 2 2 286.379 0.802 20 30 CCEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994219772 637877423 /nfs/dbraw/zinc/87/74/23/637877423.db2.gz BPEYTKXYZGKJNZ-HIFRSBDPSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994219772 637877429 /nfs/dbraw/zinc/87/74/29/637877429.db2.gz BPEYTKXYZGKJNZ-HIFRSBDPSA-N 2 2 288.395 0.955 20 30 CCEDLP C=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996353941 638816577 /nfs/dbraw/zinc/81/65/77/638816577.db2.gz FQBJLKZWGABXTL-LBPRGKRZSA-N 2 2 262.357 0.965 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000999009291 638954247 /nfs/dbraw/zinc/95/42/47/638954247.db2.gz FBJFGWNBKAPBRC-HSBZDZAISA-N 2 2 286.379 0.658 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001000426644 639087645 /nfs/dbraw/zinc/08/76/45/639087645.db2.gz KBIOJGGYGCFFIR-QWHCGFSZSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001000426644 639087648 /nfs/dbraw/zinc/08/76/48/639087648.db2.gz KBIOJGGYGCFFIR-QWHCGFSZSA-N 2 2 274.368 0.802 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001014982572 650511628 /nfs/dbraw/zinc/51/16/28/650511628.db2.gz FVGYCKJMZVUTSH-QWHCGFSZSA-N 2 2 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C=CC[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001265858242 809877751 /nfs/dbraw/zinc/87/77/51/809877751.db2.gz AKGUBKYBASCQAL-LLVKDONJSA-N 2 2 250.346 0.633 20 30 CCEDLP COCC#CC[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001265944797 809902045 /nfs/dbraw/zinc/90/20/45/809902045.db2.gz QYIJGOZVAMCSAK-UHFFFAOYSA-N 2 2 278.356 0.040 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC#C ZINC001024487645 811351808 /nfs/dbraw/zinc/35/18/08/811351808.db2.gz RCIWPSBCQNCUKB-CVEARBPZSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC#C ZINC001024487645 811351820 /nfs/dbraw/zinc/35/18/20/811351820.db2.gz RCIWPSBCQNCUKB-CVEARBPZSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC#C ZINC001024487645 811351830 /nfs/dbraw/zinc/35/18/30/811351830.db2.gz RCIWPSBCQNCUKB-CVEARBPZSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CC#C ZINC001024487645 811351842 /nfs/dbraw/zinc/35/18/42/811351842.db2.gz RCIWPSBCQNCUKB-CVEARBPZSA-N 2 2 287.407 0.688 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267536392 811417046 /nfs/dbraw/zinc/41/70/46/811417046.db2.gz RYUUXZNESCUCCB-CYBMUJFWSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267536392 811417051 /nfs/dbraw/zinc/41/70/51/811417051.db2.gz RYUUXZNESCUCCB-CYBMUJFWSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267536392 811417054 /nfs/dbraw/zinc/41/70/54/811417054.db2.gz RYUUXZNESCUCCB-CYBMUJFWSA-N 2 2 274.368 0.804 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267536392 811417065 /nfs/dbraw/zinc/41/70/65/811417065.db2.gz RYUUXZNESCUCCB-CYBMUJFWSA-N 2 2 274.368 0.804 20 30 CCEDLP C=C(C)C[NH+]1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001267698789 811663485 /nfs/dbraw/zinc/66/34/85/811663485.db2.gz OWZMZEMWNLNJFZ-UHFFFAOYSA-N 2 2 276.384 0.977 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001027939549 812153054 /nfs/dbraw/zinc/15/30/54/812153054.db2.gz SQZJBDUNZUWSMI-CABCVRRESA-N 2 2 293.411 0.047 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001027939549 812153060 /nfs/dbraw/zinc/15/30/60/812153060.db2.gz SQZJBDUNZUWSMI-CABCVRRESA-N 2 2 293.411 0.047 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCO ZINC001027939549 812153062 /nfs/dbraw/zinc/15/30/62/812153062.db2.gz SQZJBDUNZUWSMI-CABCVRRESA-N 2 2 293.411 0.047 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCO ZINC001027939549 812153069 /nfs/dbraw/zinc/15/30/69/812153069.db2.gz SQZJBDUNZUWSMI-CABCVRRESA-N 2 2 293.411 0.047 20 30 CCEDLP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268562583 812801826 /nfs/dbraw/zinc/80/18/26/812801826.db2.gz XQGVRGOVSQYGIG-ITDFMYJTSA-N 2 2 274.368 0.894 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796454 813520490 /nfs/dbraw/zinc/52/04/90/813520490.db2.gz AYOYWDXKFXFTFX-STQMWFEESA-N 2 2 286.379 0.901 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796454 813520498 /nfs/dbraw/zinc/52/04/98/813520498.db2.gz AYOYWDXKFXFTFX-STQMWFEESA-N 2 2 286.379 0.901 20 30 CCEDLP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001270137359 813648054 /nfs/dbraw/zinc/64/80/54/813648054.db2.gz XLDQTJRYXKSNJW-AWEZNQCLSA-N 2 2 292.383 0.735 20 30 CCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001270658820 813878260 /nfs/dbraw/zinc/87/82/60/813878260.db2.gz SDVZHKDKUOIUHV-OAHLLOKOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001270658820 813878269 /nfs/dbraw/zinc/87/82/69/813878269.db2.gz SDVZHKDKUOIUHV-OAHLLOKOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001270658820 813878279 /nfs/dbraw/zinc/87/82/79/813878279.db2.gz SDVZHKDKUOIUHV-OAHLLOKOSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001279136875 814013097 /nfs/dbraw/zinc/01/30/97/814013097.db2.gz BYSCIMUKIIWGIX-KBPBESRZSA-N 2 2 274.368 0.591 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001087847426 814235647 /nfs/dbraw/zinc/23/56/47/814235647.db2.gz VTSNHEAJGHISHS-QWHCGFSZSA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1CC ZINC001087847426 814235652 /nfs/dbraw/zinc/23/56/52/814235652.db2.gz VTSNHEAJGHISHS-QWHCGFSZSA-N 2 2 260.341 0.485 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644814 815591779 /nfs/dbraw/zinc/59/17/79/815591779.db2.gz XHKVEOCTENWWQB-CABCVRRESA-N 2 2 298.346 0.133 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644814 815591787 /nfs/dbraw/zinc/59/17/87/815591787.db2.gz XHKVEOCTENWWQB-CABCVRRESA-N 2 2 298.346 0.133 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)CC)C1 ZINC001030463591 816049110 /nfs/dbraw/zinc/04/91/10/816049110.db2.gz QZOPOFQLJVBKRT-ZFWWWQNUSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)CC)C1 ZINC001030463591 816049116 /nfs/dbraw/zinc/04/91/16/816049116.db2.gz QZOPOFQLJVBKRT-ZFWWWQNUSA-N 2 2 277.412 0.931 20 30 CCEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030517128 816081994 /nfs/dbraw/zinc/08/19/94/816081994.db2.gz UUIWIFCYJOCVCY-DGCLKSJQSA-N 2 2 267.373 0.082 20 30 CCEDLP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030517128 816081997 /nfs/dbraw/zinc/08/19/97/816081997.db2.gz UUIWIFCYJOCVCY-DGCLKSJQSA-N 2 2 267.373 0.082 20 30 CCEDLP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001272323534 816313118 /nfs/dbraw/zinc/31/31/18/816313118.db2.gz RHKFGDKBHGXWAH-OLZOCXBDSA-N 2 2 274.368 0.850 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001031188410 816766953 /nfs/dbraw/zinc/76/69/53/816766953.db2.gz KZRIFUUOXLIOSN-UHFFFAOYSA-N 2 2 277.412 0.931 20 30 CCEDLP Cn1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1C#N ZINC001235990792 816974995 /nfs/dbraw/zinc/97/49/95/816974995.db2.gz AMAQIFBHIHTFNW-ONXXMXGDSA-N 2 2 260.341 0.302 20 30 CCEDLP Cn1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1C#N ZINC001235990792 816975000 /nfs/dbraw/zinc/97/50/00/816975000.db2.gz AMAQIFBHIHTFNW-ONXXMXGDSA-N 2 2 260.341 0.302 20 30 CCEDLP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001031784564 817362812 /nfs/dbraw/zinc/36/28/12/817362812.db2.gz VHHIRLIBNBLUFY-AWEZNQCLSA-N 2 2 286.379 0.517 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108074777 818548662 /nfs/dbraw/zinc/54/86/62/818548662.db2.gz PANOJFIUWAJRCS-HNNXBMFYSA-N 2 2 292.383 0.585 20 30 CCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108074777 818548666 /nfs/dbraw/zinc/54/86/66/818548666.db2.gz PANOJFIUWAJRCS-HNNXBMFYSA-N 2 2 292.383 0.585 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033183902 818633388 /nfs/dbraw/zinc/63/33/88/818633388.db2.gz HCVSDHREFFWSCL-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033183902 818633391 /nfs/dbraw/zinc/63/33/91/818633391.db2.gz HCVSDHREFFWSCL-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033183902 818633393 /nfs/dbraw/zinc/63/33/93/818633393.db2.gz HCVSDHREFFWSCL-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033183902 818633397 /nfs/dbraw/zinc/63/33/97/818633397.db2.gz HCVSDHREFFWSCL-RBSFLKMASA-N 2 2 293.411 0.262 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001035414593 819517119 /nfs/dbraw/zinc/51/71/19/819517119.db2.gz RXQPOKKDGCSXLU-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035414593 819517123 /nfs/dbraw/zinc/51/71/23/819517123.db2.gz RXQPOKKDGCSXLU-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035414593 819517129 /nfs/dbraw/zinc/51/71/29/819517129.db2.gz RXQPOKKDGCSXLU-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035414593 819517134 /nfs/dbraw/zinc/51/71/34/819517134.db2.gz RXQPOKKDGCSXLU-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001079878215 820480742 /nfs/dbraw/zinc/48/07/42/820480742.db2.gz MTIZKAZGCWGPRN-OAGGEKHMSA-N 2 2 287.407 0.544 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001079878215 820480746 /nfs/dbraw/zinc/48/07/46/820480746.db2.gz MTIZKAZGCWGPRN-OAGGEKHMSA-N 2 2 287.407 0.544 20 30 CCEDLP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001079878215 820480752 /nfs/dbraw/zinc/48/07/52/820480752.db2.gz MTIZKAZGCWGPRN-OAGGEKHMSA-N 2 2 287.407 0.544 20 30 CCEDLP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001079878215 820480757 /nfs/dbraw/zinc/48/07/57/820480757.db2.gz MTIZKAZGCWGPRN-OAGGEKHMSA-N 2 2 287.407 0.544 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855871 820855774 /nfs/dbraw/zinc/85/57/74/820855774.db2.gz SUJNWNJGYABQJJ-QLFBSQMISA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855871 820855787 /nfs/dbraw/zinc/85/57/87/820855787.db2.gz SUJNWNJGYABQJJ-QLFBSQMISA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081855871 820855797 /nfs/dbraw/zinc/85/57/97/820855797.db2.gz SUJNWNJGYABQJJ-QLFBSQMISA-N 2 2 295.427 0.862 20 30 CCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081855871 820855811 /nfs/dbraw/zinc/85/58/11/820855811.db2.gz SUJNWNJGYABQJJ-QLFBSQMISA-N 2 2 295.427 0.862 20 30 CCEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085529966 821770298 /nfs/dbraw/zinc/77/02/98/821770298.db2.gz MGHBUWYBLOGUKA-CHWSQXEVSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085529966 821770304 /nfs/dbraw/zinc/77/03/04/821770304.db2.gz MGHBUWYBLOGUKA-CHWSQXEVSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085529966 821770308 /nfs/dbraw/zinc/77/03/08/821770308.db2.gz MGHBUWYBLOGUKA-CHWSQXEVSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085529966 821770312 /nfs/dbraw/zinc/77/03/12/821770312.db2.gz MGHBUWYBLOGUKA-CHWSQXEVSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404396 837786297 /nfs/dbraw/zinc/78/62/97/837786297.db2.gz JJLIUDQOTOASEV-ZDUSSCGKSA-N 2 2 292.383 0.354 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487925 837809796 /nfs/dbraw/zinc/80/97/96/837809796.db2.gz LEJFKUWEHHPEJO-GFCCVEGCSA-N 2 2 262.357 0.727 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108394974 836003811 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389186656 /nfs/dbraw/zinc/18/66/56/389186656.db2.gz ROHMAYSOADVNQI-GFCCVEGCSA-N 2 2 266.389 0.821 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC3(CCC3)C2)CC1 ZINC000123044495 389154109 /nfs/dbraw/zinc/15/41/09/389154109.db2.gz UOQMFNRFMCYHSW-UHFFFAOYSA-N 2 2 275.396 0.640 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC3(CCC3)C2)CC1 ZINC000123044495 389154111 /nfs/dbraw/zinc/15/41/11/389154111.db2.gz UOQMFNRFMCYHSW-UHFFFAOYSA-N 2 2 275.396 0.640 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124416575 389161534 /nfs/dbraw/zinc/16/15/34/389161534.db2.gz HBJCYPLCGRKFMS-GFCCVEGCSA-N 2 2 250.346 0.896 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124416575 389161537 /nfs/dbraw/zinc/16/15/37/389161537.db2.gz HBJCYPLCGRKFMS-GFCCVEGCSA-N 2 2 250.346 0.896 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000346240133 389324194 /nfs/dbraw/zinc/32/41/94/389324194.db2.gz GRIFIXWUUFYHKF-OLZOCXBDSA-N 2 2 278.400 0.821 20 30 CCEDLP 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279.428 0.786 20 30 CCEDLP C#CCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000372045658 389441930 /nfs/dbraw/zinc/44/19/30/389441930.db2.gz HUCGOCDCOFRYEB-UHFFFAOYSA-N 2 2 279.428 0.786 20 30 CCEDLP CC#CC[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000411775438 389447692 /nfs/dbraw/zinc/44/76/92/389447692.db2.gz XSRUQKAZGSUTKB-UHFFFAOYSA-N 2 2 251.374 0.542 20 30 CCEDLP CC#CC[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000411775438 389447693 /nfs/dbraw/zinc/44/76/93/389447693.db2.gz XSRUQKAZGSUTKB-UHFFFAOYSA-N 2 2 251.374 0.542 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281339654 389614475 /nfs/dbraw/zinc/61/44/75/389614475.db2.gz MJNVZWDSNXGACI-CYBMUJFWSA-N 2 2 296.415 0.804 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281339654 389614477 /nfs/dbraw/zinc/61/44/77/389614477.db2.gz MJNVZWDSNXGACI-CYBMUJFWSA-N 2 2 296.415 0.804 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181110205 389681440 /nfs/dbraw/zinc/68/14/40/389681440.db2.gz 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C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCC#N)CC[NH+]1C ZINC000741790978 581763103 /nfs/dbraw/zinc/76/31/03/581763103.db2.gz OWPDUWNWCSJWPM-VXGBXAGGSA-N 2 2 252.362 0.431 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000518026741 260336365 /nfs/dbraw/zinc/33/63/65/260336365.db2.gz AZFQJPZKHPOOSA-UHFFFAOYSA-N 2 2 297.362 0.981 20 30 CCEDLP C=CCOCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000356460326 266118199 /nfs/dbraw/zinc/11/81/99/266118199.db2.gz AGXKVKXHYCKFJU-UHFFFAOYSA-N 2 2 283.416 0.673 20 30 CCEDLP C=CCOCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000356460326 266118202 /nfs/dbraw/zinc/11/82/02/266118202.db2.gz AGXKVKXHYCKFJU-UHFFFAOYSA-N 2 2 283.416 0.673 20 30 CCEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652125 266339991 /nfs/dbraw/zinc/33/99/91/266339991.db2.gz SOJLXTLUPXSTHE-UHFFFAOYSA-N 2 2 297.443 0.800 20 30 CCEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652125 266339995 /nfs/dbraw/zinc/33/99/95/266339995.db2.gz SOJLXTLUPXSTHE-UHFFFAOYSA-N 2 2 297.443 0.800 20 30 CCEDLP CN(C)C(=[NH+]CC[N@@H+]1CCOCC1(C)C)N(C)C ZINC000170914942 329072308 /nfs/dbraw/zinc/07/23/08/329072308.db2.gz KCZUMQOCDPJCHW-UHFFFAOYSA-N 2 2 256.394 0.576 20 30 CCEDLP CN(C)C(=[NH+]CC[N@H+]1CCOCC1(C)C)N(C)C ZINC000170914942 329072309 /nfs/dbraw/zinc/07/23/09/329072309.db2.gz KCZUMQOCDPJCHW-UHFFFAOYSA-N 2 2 256.394 0.576 20 30 CCEDLP C[C@@H]1CN(C(=[NH2+])NCCc2cn3c([nH+]2)CCCC3)CCO1 ZINC000262434970 330010541 /nfs/dbraw/zinc/01/05/41/330010541.db2.gz GADRMDGNGATCIJ-GFCCVEGCSA-N 2 2 291.399 0.797 20 30 CCEDLP C[C@H]1CN(C(=[NH2+])NCc2c[nH+]c(N(C)C)n2C)CCO1 ZINC000262451572 330014029 /nfs/dbraw/zinc/01/40/29/330014029.db2.gz JYCUEDYULFLGAJ-JTQLQIEISA-N 2 2 280.376 0.022 20 30 CCEDLP C[C@H]1CN(C(=[NH2+])NCC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000262506106 330018570 /nfs/dbraw/zinc/01/85/70/330018570.db2.gz ZUXIQLIQKQNPBW-LBPRGKRZSA-N 2 2 284.404 0.133 20 30 CCEDLP C[C@H]1CN(C(=[NH2+])NCC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000262506106 330018571 /nfs/dbraw/zinc/01/85/71/330018571.db2.gz ZUXIQLIQKQNPBW-LBPRGKRZSA-N 2 2 284.404 0.133 20 30 CCEDLP C=CCCOCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423018594 330165399 /nfs/dbraw/zinc/16/53/99/330165399.db2.gz ZJLYCXGKYMJTMX-KBPBESRZSA-N 2 2 254.374 0.936 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000491015358 332139163 /nfs/dbraw/zinc/13/91/63/332139163.db2.gz XYZAOCDUVUCPRP-UHFFFAOYSA-N 2 2 275.396 0.640 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC3(CC3)C2)CC1 ZINC000491015358 332139164 /nfs/dbraw/zinc/13/91/64/332139164.db2.gz XYZAOCDUVUCPRP-UHFFFAOYSA-N 2 2 275.396 0.640 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CCCNc1cccc[nH+]1 ZINC000491629935 332252636 /nfs/dbraw/zinc/25/26/36/332252636.db2.gz MKOONNUOAVRKRE-UHFFFAOYSA-N 2 2 260.341 0.613 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCc2[nH+]ccn2CC)CC1 ZINC000491688308 332286094 /nfs/dbraw/zinc/28/60/94/332286094.db2.gz ALIQGZWMNLYBJX-UHFFFAOYSA-N 2 2 274.368 0.864 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000491715840 332306065 /nfs/dbraw/zinc/30/60/65/332306065.db2.gz QYIJYTIWKXVRNK-ZDUSSCGKSA-N 2 2 299.365 0.741 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC000491715840 332306066 /nfs/dbraw/zinc/30/60/66/332306066.db2.gz QYIJYTIWKXVRNK-ZDUSSCGKSA-N 2 2 299.365 0.741 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000491734873 332315324 /nfs/dbraw/zinc/31/53/24/332315324.db2.gz JHUCSOTXPVLAQF-ZIAGYGMSSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)C(C)C)CC1 ZINC000491813816 332365636 /nfs/dbraw/zinc/36/56/36/332365636.db2.gz QUBZTVJKGYACQN-AWEZNQCLSA-N 2 2 265.401 0.740 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)C(C)C)CC1 ZINC000491813816 332365637 /nfs/dbraw/zinc/36/56/37/332365637.db2.gz QUBZTVJKGYACQN-AWEZNQCLSA-N 2 2 265.401 0.740 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000174952826 333011530 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C=CCNC(=O)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860605 334054980 /nfs/dbraw/zinc/05/49/80/334054980.db2.gz QAEQWLAWWXAQTB-CYBMUJFWSA-N 2 2 296.415 0.804 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860605 334054982 /nfs/dbraw/zinc/05/49/82/334054982.db2.gz QAEQWLAWWXAQTB-CYBMUJFWSA-N 2 2 296.415 0.804 20 30 CCEDLP C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000677047942 545357227 /nfs/dbraw/zinc/35/72/27/545357227.db2.gz LELZIGRXTCNHSS-CQSZACIVSA-N 2 2 283.416 0.409 20 30 CCEDLP C=CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681207548 545445578 /nfs/dbraw/zinc/44/55/78/545445578.db2.gz FQENVFBJAVVTSW-AWEZNQCLSA-N 2 2 280.416 0.982 20 30 CCEDLP C=CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681207548 545445579 /nfs/dbraw/zinc/44/55/79/545445579.db2.gz FQENVFBJAVVTSW-AWEZNQCLSA-N 2 2 280.416 0.982 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000793499612 581301304 /nfs/dbraw/zinc/30/13/04/581301304.db2.gz 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C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000996764178 638832065 /nfs/dbraw/zinc/83/20/65/638832065.db2.gz ZMRJOJNZWCLBLE-CYBMUJFWSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001000881845 639182913 /nfs/dbraw/zinc/18/29/13/639182913.db2.gz ZULOMAININPVEB-HNNXBMFYSA-N 2 2 298.390 0.827 20 30 CCEDLP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001000881845 639182915 /nfs/dbraw/zinc/18/29/15/639182915.db2.gz ZULOMAININPVEB-HNNXBMFYSA-N 2 2 298.390 0.827 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014721574 650482387 /nfs/dbraw/zinc/48/23/87/650482387.db2.gz JBYFSTZDLPZONM-UONOGXRCSA-N 2 2 286.379 0.974 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014721574 650482388 /nfs/dbraw/zinc/48/23/88/650482388.db2.gz JBYFSTZDLPZONM-UONOGXRCSA-N 2 2 286.379 0.974 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)C1 ZINC001014774969 650486939 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C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266537279 790892235 /nfs/dbraw/zinc/89/22/35/790892235.db2.gz HTYAKYWDOZDCME-QWHCGFSZSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266537279 790892250 /nfs/dbraw/zinc/89/22/50/790892250.db2.gz HTYAKYWDOZDCME-QWHCGFSZSA-N 2 2 274.368 0.660 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCS1 ZINC000157354502 791234444 /nfs/dbraw/zinc/23/44/44/791234444.db2.gz LTGZFBHFCJGXKK-NSHDSACASA-N 2 2 267.402 0.944 20 30 CCEDLP C=CC[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001267233303 791715351 /nfs/dbraw/zinc/71/53/51/791715351.db2.gz LTWQIDFWBGXXLF-UHFFFAOYSA-N 2 2 250.346 0.897 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001277883977 806299823 /nfs/dbraw/zinc/29/98/23/806299823.db2.gz UNUXQAPGTQLMON-KBPBESRZSA-N 2 2 286.379 0.659 20 30 CCEDLP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235452132 806424684 /nfs/dbraw/zinc/42/46/84/806424684.db2.gz CELABKKQJHEBCH-HOCLYGCPSA-N 2 2 294.443 0.517 20 30 CCEDLP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](C[C@H](C)[NH3+])C2 ZINC001235452132 806424690 /nfs/dbraw/zinc/42/46/90/806424690.db2.gz CELABKKQJHEBCH-HOCLYGCPSA-N 2 2 294.443 0.517 20 30 CCEDLP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235452128 806424983 /nfs/dbraw/zinc/42/49/83/806424983.db2.gz CELABKKQJHEBCH-GDBMZVCRSA-N 2 2 294.443 0.517 20 30 CCEDLP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235452128 806424990 /nfs/dbraw/zinc/42/49/90/806424990.db2.gz CELABKKQJHEBCH-GDBMZVCRSA-N 2 2 294.443 0.517 20 30 CCEDLP C=CCN1C(=O)CCC12CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC001235522525 806445355 /nfs/dbraw/zinc/44/53/55/806445355.db2.gz YOYDPWSLPSCDME-GFCCVEGCSA-N 2 2 251.374 0.977 20 30 CCEDLP N#Cc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1 ZINC001235998600 806526717 /nfs/dbraw/zinc/52/67/17/806526717.db2.gz OLSPIFQQTVOERP-ONXXMXGDSA-N 2 2 258.325 0.359 20 30 CCEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1 ZINC001235998600 806526719 /nfs/dbraw/zinc/52/67/19/806526719.db2.gz OLSPIFQQTVOERP-ONXXMXGDSA-N 2 2 258.325 0.359 20 30 CCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150731113 800362389 /nfs/dbraw/zinc/36/23/89/800362389.db2.gz DAFQQDBOIZVECB-CQSZACIVSA-N 2 2 290.367 0.032 20 30 CCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150731113 800362392 /nfs/dbraw/zinc/36/23/92/800362392.db2.gz DAFQQDBOIZVECB-CQSZACIVSA-N 2 2 290.367 0.032 20 30 CCEDLP N#Cc1cc(F)cnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155373083 800961703 /nfs/dbraw/zinc/96/17/03/800961703.db2.gz MYQPUZOQWWNQQF-AWEZNQCLSA-N 2 2 289.358 0.952 20 30 CCEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293538 801346389 /nfs/dbraw/zinc/34/63/89/801346389.db2.gz HKRPAUCKLHYZMO-CQSZACIVSA-N 2 2 294.399 0.912 20 30 CCEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293538 801346397 /nfs/dbraw/zinc/34/63/97/801346397.db2.gz HKRPAUCKLHYZMO-CQSZACIVSA-N 2 2 294.399 0.912 20 30 CCEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)cnc2C#N)CC1 ZINC001157915104 801519270 /nfs/dbraw/zinc/51/92/70/801519270.db2.gz PLIKGEBARGSFRC-UHFFFAOYSA-N 2 2 279.735 0.596 20 30 CCEDLP Cc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc(C#N)n1 ZINC001158260914 801609136 /nfs/dbraw/zinc/60/91/36/801609136.db2.gz HTKDBLJUDWTUMY-GFCCVEGCSA-N 2 2 286.383 0.659 20 30 CCEDLP Cc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc(C#N)n1 ZINC001158260914 801609137 /nfs/dbraw/zinc/60/91/37/801609137.db2.gz HTKDBLJUDWTUMY-GFCCVEGCSA-N 2 2 286.383 0.659 20 30 CCEDLP Cc1cnc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c(C#N)n1 ZINC001160514418 801957508 /nfs/dbraw/zinc/95/75/08/801957508.db2.gz WZGNAWWUPNQIJM-AWEZNQCLSA-N 2 2 272.356 0.492 20 30 CCEDLP C#CC1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001160911484 802046914 /nfs/dbraw/zinc/04/69/14/802046914.db2.gz FEGQNIKURPWEKV-ZDUSSCGKSA-N 2 2 260.341 0.162 20 30 CCEDLP N#Cc1c[nH]c2cc[nH+]c(NCCN3CC[NH2+]CC3=O)c12 ZINC001161024205 802067997 /nfs/dbraw/zinc/06/79/97/802067997.db2.gz JZBQCDFAEXZGLQ-UHFFFAOYSA-N 2 2 284.323 0.278 20 30 CCEDLP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001265004273 809690837 /nfs/dbraw/zinc/69/08/37/809690837.db2.gz MJLATEWEVNAJAZ-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001265004273 809690843 /nfs/dbraw/zinc/69/08/43/809690843.db2.gz MJLATEWEVNAJAZ-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CC[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166322691 802900257 /nfs/dbraw/zinc/90/02/57/802900257.db2.gz PRPWDQVKGGKVPL-UHFFFAOYSA-N 2 2 288.395 0.862 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203815166 803046359 /nfs/dbraw/zinc/04/63/59/803046359.db2.gz NKNFKXFACXYMND-UONOGXRCSA-N 2 2 286.379 0.923 20 30 CCEDLP C#CC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205805215 803175573 /nfs/dbraw/zinc/17/55/73/803175573.db2.gz LLSFDPRBHMRLBK-UHFFFAOYSA-N 2 2 274.368 0.735 20 30 CCEDLP 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CCEDLP C#CC[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001482113238 893404379 /nfs/dbraw/zinc/40/43/79/893404379.db2.gz JOEXJOJOIZYMPC-GFCCVEGCSA-N 2 2 275.352 0.608 20 30 CCEDLP CC#CC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001482231218 893615604 /nfs/dbraw/zinc/61/56/04/893615604.db2.gz NXGBZXPJPPDEPO-UHFFFAOYSA-N 2 2 274.368 0.994 20 30 CCEDLP CC#CC[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001284818458 893710019 /nfs/dbraw/zinc/71/00/19/893710019.db2.gz MICQMWBSCKCNRL-UHFFFAOYSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[NH2+]C/C=C\CNC(=O)CCc1c[nH]c[nH+]1 ZINC001483018645 894805912 /nfs/dbraw/zinc/80/59/12/894805912.db2.gz ZHGMKSLIYQLDQR-PLNGDYQASA-N 2 2 260.341 0.628 20 30 CCEDLP CC#CC[NH2+]C/C=C\CNC(=O)CCc1c[nH+]c[nH]1 ZINC001483018645 894805928 /nfs/dbraw/zinc/80/59/28/894805928.db2.gz ZHGMKSLIYQLDQR-PLNGDYQASA-N 2 2 260.341 0.628 20 30 CCEDLP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483387115 895525924 /nfs/dbraw/zinc/52/59/24/895525924.db2.gz FOAIZHZZPQBZBY-BFHYXJOUSA-N 2 2 288.395 0.983 20 30 CCEDLP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483387115 895525929 /nfs/dbraw/zinc/52/59/29/895525929.db2.gz FOAIZHZZPQBZBY-BFHYXJOUSA-N 2 2 288.395 0.983 20 30 CCEDLP C=CC[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001483579044 895660816 /nfs/dbraw/zinc/66/08/16/895660816.db2.gz NBSAVIDASRVKBE-ZDUSSCGKSA-N 2 2 262.357 0.944 20 30 CCEDLP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001484121995 896201367 /nfs/dbraw/zinc/20/13/67/896201367.db2.gz NPCHGAGBOMYOAN-INIZCTEOSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001484923767 896670282 /nfs/dbraw/zinc/67/02/82/896670282.db2.gz BSJFGCFFOFUIQW-UHFFFAOYSA-N 2 2 260.341 0.556 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001032454137 897592016 /nfs/dbraw/zinc/59/20/16/897592016.db2.gz FLCQTZFJFAVSHM-ILXRZTDVSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001032454137 897592033 /nfs/dbraw/zinc/59/20/33/897592033.db2.gz FLCQTZFJFAVSHM-ILXRZTDVSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032454137 897592042 /nfs/dbraw/zinc/59/20/42/897592042.db2.gz FLCQTZFJFAVSHM-ILXRZTDVSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001032454137 897592057 /nfs/dbraw/zinc/59/20/57/897592057.db2.gz FLCQTZFJFAVSHM-ILXRZTDVSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032539302 897722413 /nfs/dbraw/zinc/72/24/13/897722413.db2.gz ACQGSIKPHHGKSH-JYJNAYRXSA-N 2 2 287.407 0.779 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032539302 897722417 /nfs/dbraw/zinc/72/24/17/897722417.db2.gz ACQGSIKPHHGKSH-JYJNAYRXSA-N 2 2 287.407 0.779 20 30 CCEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001032588291 897781631 /nfs/dbraw/zinc/78/16/31/897781631.db2.gz 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412885996 /nfs/dbraw/zinc/88/59/96/412885996.db2.gz GXVPTEZSQSQDNW-UHFFFAOYSA-N 2 2 277.434 0.365 20 30 CCEDLP C=CCCn1cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)nn1 ZINC000657370036 412976151 /nfs/dbraw/zinc/97/61/51/412976151.db2.gz KQUNDMRNZGRTMB-AWEZNQCLSA-N 2 2 293.415 0.912 20 30 CCEDLP C=C(C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104068190 389079233 /nfs/dbraw/zinc/07/92/33/389079233.db2.gz OFLRMUZATANSKI-CYBMUJFWSA-N 2 2 251.374 0.977 20 30 CCEDLP C=C(C)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104068190 389079236 /nfs/dbraw/zinc/07/92/36/389079236.db2.gz OFLRMUZATANSKI-CYBMUJFWSA-N 2 2 251.374 0.977 20 30 CCEDLP N#CCCOCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000338999476 389120592 /nfs/dbraw/zinc/12/05/92/389120592.db2.gz ZHUKTTSPEDUXSX-UHFFFAOYSA-N 2 2 263.345 0.458 20 30 CCEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516601 389130013 /nfs/dbraw/zinc/13/00/13/389130013.db2.gz FSTMXRQRQAXXBM-HIFRSBDPSA-N 2 2 280.416 0.924 20 30 CCEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516601 389130017 /nfs/dbraw/zinc/13/00/17/389130017.db2.gz FSTMXRQRQAXXBM-HIFRSBDPSA-N 2 2 280.416 0.924 20 30 CCEDLP C[NH+]1CCC([NH+]=C([O-])N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329635959 389180244 /nfs/dbraw/zinc/18/02/44/389180244.db2.gz XXFZHRNJALONFL-NSHDSACASA-N 2 2 277.372 0.865 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245928055 389221395 /nfs/dbraw/zinc/22/13/95/389221395.db2.gz OZQIODQITPOQFM-HUUCEWRRSA-N 2 2 294.443 0.389 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245928055 389221400 /nfs/dbraw/zinc/22/14/00/389221400.db2.gz OZQIODQITPOQFM-HUUCEWRRSA-N 2 2 294.443 0.389 20 30 CCEDLP C[C@H](C#N)C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330431676 389228690 /nfs/dbraw/zinc/22/86/90/389228690.db2.gz MEFRDJHQSQZIRJ-GFCCVEGCSA-N 2 2 252.362 0.242 20 30 CCEDLP C[C@H](C#N)C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000330431676 389228691 /nfs/dbraw/zinc/22/86/91/389228691.db2.gz MEFRDJHQSQZIRJ-GFCCVEGCSA-N 2 2 252.362 0.242 20 30 CCEDLP Cc1[nH]c(C(=O)NCC2CC[NH+](CCO)CC2)c[nH+]1 ZINC000330491221 389235346 /nfs/dbraw/zinc/23/53/46/389235346.db2.gz NOEORRWCCBMWTN-UHFFFAOYSA-N 2 2 266.345 0.727 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2CCOCC2)CC1 ZINC000330492608 389235599 /nfs/dbraw/zinc/23/55/99/389235599.db2.gz RCQABVHNKLXQCM-UHFFFAOYSA-N 2 2 298.431 0.695 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366562182 389304359 /nfs/dbraw/zinc/30/43/59/389304359.db2.gz VJISMRPAWPBRJW-JSGCOSHPSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366562182 389304362 /nfs/dbraw/zinc/30/43/62/389304362.db2.gz VJISMRPAWPBRJW-JSGCOSHPSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366562182 389304364 /nfs/dbraw/zinc/30/43/64/389304364.db2.gz VJISMRPAWPBRJW-JSGCOSHPSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366562182 389304366 /nfs/dbraw/zinc/30/43/66/389304366.db2.gz VJISMRPAWPBRJW-JSGCOSHPSA-N 2 2 251.374 0.705 20 30 CCEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000366554332 389304538 /nfs/dbraw/zinc/30/45/38/389304538.db2.gz BLDQIBMQNZCLSM-HOTGVXAUSA-N 2 2 290.411 0.822 20 30 CCEDLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000366554332 389304541 /nfs/dbraw/zinc/30/45/41/389304541.db2.gz BLDQIBMQNZCLSM-HOTGVXAUSA-N 2 2 290.411 0.822 20 30 CCEDLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000366554332 389304544 /nfs/dbraw/zinc/30/45/44/389304544.db2.gz BLDQIBMQNZCLSM-HOTGVXAUSA-N 2 2 290.411 0.822 20 30 CCEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)C1 ZINC000366554332 389304547 /nfs/dbraw/zinc/30/45/47/389304547.db2.gz BLDQIBMQNZCLSM-HOTGVXAUSA-N 2 2 290.411 0.822 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2[C@H](C)[NH3+])C1=O ZINC000420265760 389975211 /nfs/dbraw/zinc/97/52/11/389975211.db2.gz BWLWNUUVAJNOCO-AVGNSLFASA-N 2 2 251.374 0.975 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])C1=O ZINC000420265760 389975213 /nfs/dbraw/zinc/97/52/13/389975213.db2.gz BWLWNUUVAJNOCO-AVGNSLFASA-N 2 2 251.374 0.975 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420369858 389993810 /nfs/dbraw/zinc/99/38/10/389993810.db2.gz OPHSJTBGLQEVEK-FIQHERPVSA-N 2 2 282.388 0.363 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000491296272 390111541 /nfs/dbraw/zinc/11/15/41/390111541.db2.gz KUQLNZAGQOIPRA-LSDHHAIUSA-N 2 2 293.411 0.121 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000491296272 390111542 /nfs/dbraw/zinc/11/15/42/390111542.db2.gz KUQLNZAGQOIPRA-LSDHHAIUSA-N 2 2 293.411 0.121 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000556197744 390476105 /nfs/dbraw/zinc/47/61/05/390476105.db2.gz MGJJOKAPPNIKFK-CYBMUJFWSA-N 2 2 270.340 0.785 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000556197744 390476107 /nfs/dbraw/zinc/47/61/07/390476107.db2.gz MGJJOKAPPNIKFK-CYBMUJFWSA-N 2 2 270.340 0.785 20 30 CCEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000567680327 390710658 /nfs/dbraw/zinc/71/06/58/390710658.db2.gz WDYHSMHWWSQQNN-OAHLLOKOSA-N 3 2 267.417 0.682 20 30 CCEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000567680327 390710660 /nfs/dbraw/zinc/71/06/60/390710660.db2.gz WDYHSMHWWSQQNN-OAHLLOKOSA-N 3 2 267.417 0.682 20 30 CCEDLP C=C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000568997858 390715495 /nfs/dbraw/zinc/71/54/95/390715495.db2.gz ZXIPAFFYRJSBHA-KBPBESRZSA-N 2 2 256.390 0.966 20 30 CCEDLP C=C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000568997858 390715497 /nfs/dbraw/zinc/71/54/97/390715497.db2.gz ZXIPAFFYRJSBHA-KBPBESRZSA-N 2 2 256.390 0.966 20 30 CCEDLP C=C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000568997858 390715499 /nfs/dbraw/zinc/71/54/99/390715499.db2.gz ZXIPAFFYRJSBHA-KBPBESRZSA-N 2 2 256.390 0.966 20 30 CCEDLP C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000568997858 390715501 /nfs/dbraw/zinc/71/55/01/390715501.db2.gz ZXIPAFFYRJSBHA-KBPBESRZSA-N 2 2 256.390 0.966 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569716034 390716259 /nfs/dbraw/zinc/71/62/59/390716259.db2.gz ZSWYVETWPZPDPZ-ILXRZTDVSA-N 2 2 280.416 0.409 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569716034 390716261 /nfs/dbraw/zinc/71/62/61/390716261.db2.gz ZSWYVETWPZPDPZ-ILXRZTDVSA-N 2 2 280.416 0.409 20 30 CCEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000569716034 390716262 /nfs/dbraw/zinc/71/62/62/390716262.db2.gz ZSWYVETWPZPDPZ-ILXRZTDVSA-N 2 2 280.416 0.409 20 30 CCEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000569716034 390716264 /nfs/dbraw/zinc/71/62/64/390716264.db2.gz ZSWYVETWPZPDPZ-ILXRZTDVSA-N 2 2 280.416 0.409 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569716034 390716265 /nfs/dbraw/zinc/71/62/65/390716265.db2.gz ZSWYVETWPZPDPZ-ILXRZTDVSA-N 2 2 280.416 0.409 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569716034 390716266 /nfs/dbraw/zinc/71/62/66/390716266.db2.gz ZSWYVETWPZPDPZ-ILXRZTDVSA-N 2 2 280.416 0.409 20 30 CCEDLP C=C(C)COCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570625887 390718943 /nfs/dbraw/zinc/71/89/43/390718943.db2.gz PFRQSWGUVGIOCE-QLFBSQMISA-N 2 2 286.416 0.639 20 30 CCEDLP C=C(C)COCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570625887 390718944 /nfs/dbraw/zinc/71/89/44/390718944.db2.gz PFRQSWGUVGIOCE-QLFBSQMISA-N 2 2 286.416 0.639 20 30 CCEDLP CCC#C[C@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686089 397655758 /nfs/dbraw/zinc/65/57/58/397655758.db2.gz YAKGRVJDGSHELC-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP CCC#C[C@H](C)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686089 397655760 /nfs/dbraw/zinc/65/57/60/397655760.db2.gz YAKGRVJDGSHELC-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP C[NH+]1CCN(CC/[NH+]=C/c2ccc(O)c(O)c2O)CC1 ZINC000022580074 171392763 /nfs/dbraw/zinc/39/27/63/171392763.db2.gz KGJPHDKXRRFHDM-XNTDXEJSSA-N 2 2 279.340 0.470 20 30 CCEDLP C=CCOCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665263975 415581418 /nfs/dbraw/zinc/58/14/18/415581418.db2.gz ZDNSXDSKGOODNZ-ZIAGYGMSSA-N 2 2 254.374 0.936 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069182 260826595 /nfs/dbraw/zinc/82/65/95/260826595.db2.gz JZFCPMJSLILEEF-QWHCGFSZSA-N 2 2 251.374 0.856 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069182 260826596 /nfs/dbraw/zinc/82/65/96/260826596.db2.gz JZFCPMJSLILEEF-QWHCGFSZSA-N 2 2 251.374 0.856 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000490699466 261188149 /nfs/dbraw/zinc/18/81/49/261188149.db2.gz QJLNBHKGFUUWPC-UONOGXRCSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000490699466 261188150 /nfs/dbraw/zinc/18/81/50/261188150.db2.gz QJLNBHKGFUUWPC-UONOGXRCSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000490699466 261188151 /nfs/dbraw/zinc/18/81/51/261188151.db2.gz QJLNBHKGFUUWPC-UONOGXRCSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000490699466 261188152 /nfs/dbraw/zinc/18/81/52/261188152.db2.gz QJLNBHKGFUUWPC-UONOGXRCSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CC)CC2)CC1 ZINC000490839722 261222679 /nfs/dbraw/zinc/22/26/79/261222679.db2.gz JTWUJOVMMCWQHV-UHFFFAOYSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)OCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000491047983 261310239 /nfs/dbraw/zinc/31/02/39/261310239.db2.gz WIOAXYHMCSNASC-AWEZNQCLSA-N 2 2 294.395 0.596 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)OCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000491047983 261310241 /nfs/dbraw/zinc/31/02/41/261310241.db2.gz WIOAXYHMCSNASC-AWEZNQCLSA-N 2 2 294.395 0.596 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](COCC)C(C)C)CC1 ZINC000491071060 261317365 /nfs/dbraw/zinc/31/73/65/261317365.db2.gz HQTVIHMEIDMKCU-OAHLLOKOSA-N 2 2 295.427 0.415 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129360559 264318865 /nfs/dbraw/zinc/31/88/65/264318865.db2.gz MMDUXUNGJASHCZ-ZIAGYGMSSA-N 2 2 281.400 0.331 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129360559 264318867 /nfs/dbraw/zinc/31/88/67/264318867.db2.gz MMDUXUNGJASHCZ-ZIAGYGMSSA-N 2 2 281.400 0.331 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC[C@@H]1CCCO1 ZINC000262424081 328150324 /nfs/dbraw/zinc/15/03/24/328150324.db2.gz LHWOJRQAKXWNTE-LBPRGKRZSA-N 2 2 294.403 0.330 20 30 CCEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(CC#N)CC2)C[C@@H](C)O1 ZINC000568619846 327005245 /nfs/dbraw/zinc/00/52/45/327005245.db2.gz IWDZEMSYVBOYIW-MCIONIFRSA-N 2 2 281.400 0.740 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261592685 327112375 /nfs/dbraw/zinc/11/23/75/327112375.db2.gz MNCQFSZVCKEEBE-KBPBESRZSA-N 2 2 263.385 0.871 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261592685 327112376 /nfs/dbraw/zinc/11/23/76/327112376.db2.gz MNCQFSZVCKEEBE-KBPBESRZSA-N 2 2 263.385 0.871 20 30 CCEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@@H](O)C[NH+](C)CCC#N ZINC000577602669 327275863 /nfs/dbraw/zinc/27/58/63/327275863.db2.gz JOLFXTBQPOSPEC-OWCLPIDISA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@@H](O)C[NH+](C)CCC#N ZINC000577602669 327275864 /nfs/dbraw/zinc/27/58/64/327275864.db2.gz JOLFXTBQPOSPEC-OWCLPIDISA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC[C@@H](O)C[N@H+](C)CCC#N ZINC000577602669 327275865 /nfs/dbraw/zinc/27/58/65/327275865.db2.gz JOLFXTBQPOSPEC-OWCLPIDISA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC[C@@H](O)C[N@@H+](C)CCC#N ZINC000577602669 327275866 /nfs/dbraw/zinc/27/58/66/327275866.db2.gz JOLFXTBQPOSPEC-OWCLPIDISA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000533089073 330332750 /nfs/dbraw/zinc/33/27/50/330332750.db2.gz XMEPDLWQMNWPAY-GFCCVEGCSA-N 2 2 296.440 0.528 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000490539760 332090797 /nfs/dbraw/zinc/09/07/97/332090797.db2.gz UUULXMVDJAHLJR-UHFFFAOYSA-N 2 2 260.341 0.414 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000490589306 332093538 /nfs/dbraw/zinc/09/35/38/332093538.db2.gz DDZMMVQBKZOUAD-UHFFFAOYSA-N 2 2 274.368 0.724 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)CO[NH+]=C(N)C2CCCC2)CC1 ZINC000490762242 332113651 /nfs/dbraw/zinc/11/36/51/332113651.db2.gz GRYJXNZIKYRFFN-UHFFFAOYSA-N 2 2 292.383 0.452 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@H](C)CC)CC1 ZINC000490948576 332132070 /nfs/dbraw/zinc/13/20/70/332132070.db2.gz FIMQDGFVHWTDAE-KGLIPLIRSA-N 2 2 265.401 0.788 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)COc2cc(C)[nH+]c(C)c2)CC1 ZINC000491039028 332141432 /nfs/dbraw/zinc/14/14/32/332141432.db2.gz MJASAFJATKYXLC-UHFFFAOYSA-N 2 2 287.363 0.855 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CSC[C@H]2C)CC1 ZINC000491178597 332160743 /nfs/dbraw/zinc/16/07/43/332160743.db2.gz AHAPEBSWIYDWQO-OLZOCXBDSA-N 2 2 281.425 0.105 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCO[C@H]2C=C)CC1 ZINC000491646350 332263648 /nfs/dbraw/zinc/26/36/48/332263648.db2.gz SWZREHDISXNLOQ-CABCVRRESA-N 2 2 291.395 0.087 20 30 CCEDLP C#CCNC(=O)CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000491692072 332288845 /nfs/dbraw/zinc/28/88/45/332288845.db2.gz HSVPNCLSOBDQPN-CQSZACIVSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCNC(=O)CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000491692072 332288846 /nfs/dbraw/zinc/28/88/46/332288846.db2.gz HSVPNCLSOBDQPN-CQSZACIVSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000491734040 332314917 /nfs/dbraw/zinc/31/49/17/332314917.db2.gz DNHZDFNGGVBBPM-CYBMUJFWSA-N 2 2 251.374 0.590 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000491734040 332314918 /nfs/dbraw/zinc/31/49/18/332314918.db2.gz DNHZDFNGGVBBPM-CYBMUJFWSA-N 2 2 251.374 0.590 20 30 CCEDLP C#CC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000192229514 333233050 /nfs/dbraw/zinc/23/30/50/333233050.db2.gz JVPUXBWYMPIOAX-CQSZACIVSA-N 2 2 281.400 0.024 20 30 CCEDLP C#CC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000192229514 333233051 /nfs/dbraw/zinc/23/30/51/333233051.db2.gz JVPUXBWYMPIOAX-CQSZACIVSA-N 2 2 281.400 0.024 20 30 CCEDLP C#CC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000192229514 333233052 /nfs/dbraw/zinc/23/30/52/333233052.db2.gz JVPUXBWYMPIOAX-CQSZACIVSA-N 2 2 281.400 0.024 20 30 CCEDLP C#CC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000192229514 333233053 /nfs/dbraw/zinc/23/30/53/333233053.db2.gz JVPUXBWYMPIOAX-CQSZACIVSA-N 2 2 281.400 0.024 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000153293768 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C=C(CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000669586448 545215519 /nfs/dbraw/zinc/21/55/19/545215519.db2.gz LJBZRQVEFOSURI-HNNXBMFYSA-N 2 2 288.395 0.984 20 30 CCEDLP C=C(CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000669586448 545215520 /nfs/dbraw/zinc/21/55/20/545215520.db2.gz LJBZRQVEFOSURI-HNNXBMFYSA-N 2 2 288.395 0.984 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000767436900 581613591 /nfs/dbraw/zinc/61/35/91/581613591.db2.gz ZRKABYJLRPXKGE-STQMWFEESA-N 2 2 260.341 0.515 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000767436900 581613592 /nfs/dbraw/zinc/61/35/92/581613592.db2.gz ZRKABYJLRPXKGE-STQMWFEESA-N 2 2 260.341 0.515 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000730095847 581645608 /nfs/dbraw/zinc/64/56/08/581645608.db2.gz JOJFHDDPWSDRMP-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000730095847 581645611 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CCEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000746666880 581921575 /nfs/dbraw/zinc/92/15/75/581921575.db2.gz BJZZGOVVNLSTTE-CQSZACIVSA-N 2 2 278.400 0.680 20 30 CCEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000746666880 581921576 /nfs/dbraw/zinc/92/15/76/581921576.db2.gz BJZZGOVVNLSTTE-CQSZACIVSA-N 2 2 278.400 0.680 20 30 CCEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000746666880 581921578 /nfs/dbraw/zinc/92/15/78/581921578.db2.gz BJZZGOVVNLSTTE-CQSZACIVSA-N 2 2 278.400 0.680 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000950524495 613009368 /nfs/dbraw/zinc/00/93/68/613009368.db2.gz ROQXNWUFGHCHTK-UHFFFAOYSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CCSCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000898669358 613012158 /nfs/dbraw/zinc/01/21/58/613012158.db2.gz ORAMPRNEZISABJ-UHFFFAOYSA-N 2 2 271.430 0.353 20 30 CCEDLP C#CCSCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000898669358 613012159 /nfs/dbraw/zinc/01/21/59/613012159.db2.gz 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CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)CC2)C1 ZINC000890377726 613167744 /nfs/dbraw/zinc/16/77/44/613167744.db2.gz YWIXFVZUOIBCDI-CYBMUJFWSA-N 2 2 264.373 0.041 20 30 CCEDLP C#Cc1cncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000855415382 613216500 /nfs/dbraw/zinc/21/65/00/613216500.db2.gz WWERDLGNRKZPDW-UHFFFAOYSA-N 2 2 288.395 0.676 20 30 CCEDLP C#Cc1cncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000855415382 613216502 /nfs/dbraw/zinc/21/65/02/613216502.db2.gz WWERDLGNRKZPDW-UHFFFAOYSA-N 2 2 288.395 0.676 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941164210 613227104 /nfs/dbraw/zinc/22/71/04/613227104.db2.gz SEEMVHHATLJQMC-CQSZACIVSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000941164210 613227106 /nfs/dbraw/zinc/22/71/06/613227106.db2.gz SEEMVHHATLJQMC-CQSZACIVSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947759177 613227240 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CAKDJRMMQWUQEN-KGLIPLIRSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001279037846 808630896 /nfs/dbraw/zinc/63/08/96/808630896.db2.gz CAKDJRMMQWUQEN-ZIAGYGMSSA-N 2 2 288.395 0.813 20 30 CCEDLP C[C@@H](CC(=O)NC1(C#N)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC001261504971 809002207 /nfs/dbraw/zinc/00/22/07/809002207.db2.gz VQMNHWPUNWHZDV-LBPRGKRZSA-N 2 2 275.356 0.938 20 30 CCEDLP C[N@H+](C[C@@H](O)C[NH2+]CC#C[C@H]1CCCCO1)C1CC1 ZINC001262578504 809354469 /nfs/dbraw/zinc/35/44/69/809354469.db2.gz REQHLJUIEMGIQQ-LSDHHAIUSA-N 2 2 266.385 0.604 20 30 CCEDLP C[N@@H+](C[C@@H](O)C[NH2+]CC#C[C@H]1CCCCO1)C1CC1 ZINC001262578504 809354476 /nfs/dbraw/zinc/35/44/76/809354476.db2.gz REQHLJUIEMGIQQ-LSDHHAIUSA-N 2 2 266.385 0.604 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265317175 809757285 /nfs/dbraw/zinc/75/72/85/809757285.db2.gz KNRFJXFAVFXIGW-AWEZNQCLSA-N 2 2 290.367 0.032 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265317175 809757290 /nfs/dbraw/zinc/75/72/90/809757290.db2.gz KNRFJXFAVFXIGW-AWEZNQCLSA-N 2 2 290.367 0.032 20 30 CCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001265360556 809764856 /nfs/dbraw/zinc/76/48/56/809764856.db2.gz NMTVQAAUQVDAPC-HIFRSBDPSA-N 2 2 286.379 0.563 20 30 CCEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266031630 809921783 /nfs/dbraw/zinc/92/17/83/809921783.db2.gz HJSGDWICSFYYJC-CYBMUJFWSA-N 2 2 274.368 0.722 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001279471220 809982679 /nfs/dbraw/zinc/98/26/79/809982679.db2.gz MDKGNWDUNYSYRH-HOCLYGCPSA-N 2 2 293.411 0.047 20 30 CCEDLP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001279471220 809982681 /nfs/dbraw/zinc/98/26/81/809982681.db2.gz MDKGNWDUNYSYRH-HOCLYGCPSA-N 2 2 293.411 0.047 20 30 CCEDLP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001279471220 809982683 /nfs/dbraw/zinc/98/26/83/809982683.db2.gz MDKGNWDUNYSYRH-HOCLYGCPSA-N 2 2 293.411 0.047 20 30 CCEDLP CC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001279471220 809982687 /nfs/dbraw/zinc/98/26/87/809982687.db2.gz MDKGNWDUNYSYRH-HOCLYGCPSA-N 2 2 293.411 0.047 20 30 CCEDLP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001280378983 810013797 /nfs/dbraw/zinc/01/37/97/810013797.db2.gz QUTHMWBKCWYTMC-HDJSIYSDSA-N 2 2 288.395 0.860 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001038338725 811644837 /nfs/dbraw/zinc/64/48/37/811644837.db2.gz AQLIXGRCGZTVTO-HUUCEWRRSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001038338725 811644842 /nfs/dbraw/zinc/64/48/42/811644842.db2.gz AQLIXGRCGZTVTO-HUUCEWRRSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001038338725 811644844 /nfs/dbraw/zinc/64/48/44/811644844.db2.gz AQLIXGRCGZTVTO-HUUCEWRRSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001038338725 811644850 /nfs/dbraw/zinc/64/48/50/811644850.db2.gz AQLIXGRCGZTVTO-HUUCEWRRSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001267844344 811830219 /nfs/dbraw/zinc/83/02/19/811830219.db2.gz RJIJFVAYRZMNCR-UHFFFAOYSA-N 2 2 260.341 0.604 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077396265 815492195 /nfs/dbraw/zinc/49/21/95/815492195.db2.gz XHKVEOCTENWWQB-HUUCEWRRSA-N 2 2 298.346 0.133 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001077396265 815492200 /nfs/dbraw/zinc/49/22/00/815492200.db2.gz XHKVEOCTENWWQB-HUUCEWRRSA-N 2 2 298.346 0.133 20 30 CCEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001268988049 813170800 /nfs/dbraw/zinc/17/08/00/813170800.db2.gz KFYXXWGLHYMTBN-STQMWFEESA-N 2 2 251.374 0.798 20 30 CCEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001268988049 813170803 /nfs/dbraw/zinc/17/08/03/813170803.db2.gz KFYXXWGLHYMTBN-STQMWFEESA-N 2 2 251.374 0.798 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001268988049 813170805 /nfs/dbraw/zinc/17/08/05/813170805.db2.gz KFYXXWGLHYMTBN-STQMWFEESA-N 2 2 251.374 0.798 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001268988049 813170808 /nfs/dbraw/zinc/17/08/08/813170808.db2.gz KFYXXWGLHYMTBN-STQMWFEESA-N 2 2 251.374 0.798 20 30 CCEDLP C#CCC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001269538735 813408025 /nfs/dbraw/zinc/40/80/25/813408025.db2.gz LLPIGLYWFNVHDU-CQSZACIVSA-N 2 2 293.411 0.359 20 30 CCEDLP C#CCC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001269538735 813408031 /nfs/dbraw/zinc/40/80/31/813408031.db2.gz LLPIGLYWFNVHDU-CQSZACIVSA-N 2 2 293.411 0.359 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001270451900 813768410 /nfs/dbraw/zinc/76/84/10/813768410.db2.gz BKPKICCHCNFGHV-GFCCVEGCSA-N 2 2 270.336 0.923 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001270516775 813794004 /nfs/dbraw/zinc/79/40/04/813794004.db2.gz HKLPIQAKJLMDMG-BFHYXJOUSA-N 2 2 288.395 0.889 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001087741913 814202238 /nfs/dbraw/zinc/20/22/38/814202238.db2.gz ILVMYOHGXCGBQR-UONOGXRCSA-N 2 2 274.368 0.945 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H]1CC ZINC001087741913 814202244 /nfs/dbraw/zinc/20/22/44/814202244.db2.gz ILVMYOHGXCGBQR-UONOGXRCSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1CC ZINC001087797482 814215825 /nfs/dbraw/zinc/21/58/25/814215825.db2.gz QZJWUWKNWJZKMQ-UONOGXRCSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1CC ZINC001087797482 814215831 /nfs/dbraw/zinc/21/58/31/814215831.db2.gz QZJWUWKNWJZKMQ-UONOGXRCSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087988742 814305248 /nfs/dbraw/zinc/30/52/48/814305248.db2.gz YIUWQWKAQVTNEW-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001087988742 814305260 /nfs/dbraw/zinc/30/52/60/814305260.db2.gz YIUWQWKAQVTNEW-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087988742 814305266 /nfs/dbraw/zinc/30/52/66/814305266.db2.gz YIUWQWKAQVTNEW-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087988742 814305276 /nfs/dbraw/zinc/30/52/76/814305276.db2.gz YIUWQWKAQVTNEW-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001030306296 815968622 /nfs/dbraw/zinc/96/86/22/815968622.db2.gz OKQXLRAKTKWKHX-DZGCQCFKSA-N 2 2 275.396 0.685 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001030306296 815968626 /nfs/dbraw/zinc/96/86/26/815968626.db2.gz OKQXLRAKTKWKHX-DZGCQCFKSA-N 2 2 275.396 0.685 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975319 818400698 /nfs/dbraw/zinc/40/06/98/818400698.db2.gz HKOMIUAOUVTBTI-CHWSQXEVSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032975319 818400702 /nfs/dbraw/zinc/40/07/02/818400702.db2.gz HKOMIUAOUVTBTI-CHWSQXEVSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032975319 818400706 /nfs/dbraw/zinc/40/07/06/818400706.db2.gz HKOMIUAOUVTBTI-CHWSQXEVSA-N 2 2 267.373 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032975319 818400712 /nfs/dbraw/zinc/40/07/12/818400712.db2.gz HKOMIUAOUVTBTI-CHWSQXEVSA-N 2 2 267.373 0.036 20 30 CCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592725 818842867 /nfs/dbraw/zinc/84/28/67/818842867.db2.gz COVDZULPGQEQMR-LBPRGKRZSA-N 2 2 274.368 0.853 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592725 818842871 /nfs/dbraw/zinc/84/28/71/818842871.db2.gz COVDZULPGQEQMR-LBPRGKRZSA-N 2 2 274.368 0.853 20 30 CCEDLP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033670397 818879338 /nfs/dbraw/zinc/87/93/38/818879338.db2.gz BCKSBTUBKQPVFP-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033670397 818879344 /nfs/dbraw/zinc/87/93/44/818879344.db2.gz BCKSBTUBKQPVFP-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033670397 818879350 /nfs/dbraw/zinc/87/93/50/818879350.db2.gz BCKSBTUBKQPVFP-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033670397 818879355 /nfs/dbraw/zinc/87/93/55/818879355.db2.gz BCKSBTUBKQPVFP-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034139885 819083999 /nfs/dbraw/zinc/08/39/99/819083999.db2.gz WFOUPSNXWTVYAX-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001034139885 819084001 /nfs/dbraw/zinc/08/40/01/819084001.db2.gz WFOUPSNXWTVYAX-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034139885 819084007 /nfs/dbraw/zinc/08/40/07/819084007.db2.gz WFOUPSNXWTVYAX-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034139885 819084011 /nfs/dbraw/zinc/08/40/11/819084011.db2.gz WFOUPSNXWTVYAX-KBPBESRZSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148845 819096669 /nfs/dbraw/zinc/09/66/69/819096669.db2.gz PBYOTHVMTVJEQI-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148845 819096675 /nfs/dbraw/zinc/09/66/75/819096675.db2.gz PBYOTHVMTVJEQI-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148845 819096679 /nfs/dbraw/zinc/09/66/79/819096679.db2.gz PBYOTHVMTVJEQI-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148845 819096683 /nfs/dbraw/zinc/09/66/83/819096683.db2.gz PBYOTHVMTVJEQI-HUUCEWRRSA-N 2 2 293.411 0.311 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001035370556 819493992 /nfs/dbraw/zinc/49/39/92/819493992.db2.gz CCAFPFHMUSTWMM-MGPQQGTHSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035370556 819494001 /nfs/dbraw/zinc/49/40/01/819494001.db2.gz CCAFPFHMUSTWMM-MGPQQGTHSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035370556 819494006 /nfs/dbraw/zinc/49/40/06/819494006.db2.gz CCAFPFHMUSTWMM-MGPQQGTHSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035370556 819494010 /nfs/dbraw/zinc/49/40/10/819494010.db2.gz CCAFPFHMUSTWMM-MGPQQGTHSA-N 2 2 281.400 0.330 20 30 CCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035837660 819634960 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C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001083887749 820088477 /nfs/dbraw/zinc/08/84/77/820088477.db2.gz JIWHFGLEOYUCRL-KGLIPLIRSA-N 2 2 281.400 0.066 20 30 CCEDLP C#CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1CC1 ZINC001118304393 820316366 /nfs/dbraw/zinc/31/63/66/820316366.db2.gz GROFGXXTEDCVSU-CQSZACIVSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1CC1 ZINC001118304393 820316376 /nfs/dbraw/zinc/31/63/76/820316376.db2.gz GROFGXXTEDCVSU-CQSZACIVSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)CC1CC1 ZINC001118304393 820316387 /nfs/dbraw/zinc/31/63/87/820316387.db2.gz GROFGXXTEDCVSU-CQSZACIVSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CCOC)CC1CC1 ZINC001118304393 820316397 /nfs/dbraw/zinc/31/63/97/820316397.db2.gz GROFGXXTEDCVSU-CQSZACIVSA-N 2 2 254.374 0.271 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001079947528 820492448 /nfs/dbraw/zinc/49/24/48/820492448.db2.gz 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GAQMOCYGJUURJO-GDBMZVCRSA-N 2 2 288.395 0.981 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001183765598 844085890 /nfs/dbraw/zinc/08/58/90/844085890.db2.gz WJPGGFUSCXIQMD-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001183771870 844086010 /nfs/dbraw/zinc/08/60/10/844086010.db2.gz CLRDUWYLFJMOIO-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001108354368 835986557 /nfs/dbraw/zinc/98/65/57/835986557.db2.gz GQSJLMWPTXJFDX-OAHLLOKOSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001108354368 835986571 /nfs/dbraw/zinc/98/65/71/835986571.db2.gz GQSJLMWPTXJFDX-OAHLLOKOSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108354368 835986581 /nfs/dbraw/zinc/98/65/81/835986581.db2.gz GQSJLMWPTXJFDX-OAHLLOKOSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108354368 835986586 /nfs/dbraw/zinc/98/65/86/835986586.db2.gz GQSJLMWPTXJFDX-OAHLLOKOSA-N 2 2 283.416 0.721 20 30 CCEDLP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399276 836003409 /nfs/dbraw/zinc/00/34/09/836003409.db2.gz NCSDVIZBOUJVRU-INIZCTEOSA-N 2 2 293.411 0.313 20 30 CCEDLP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399276 836003423 /nfs/dbraw/zinc/00/34/23/836003423.db2.gz NCSDVIZBOUJVRU-INIZCTEOSA-N 2 2 293.411 0.313 20 30 CCEDLP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293250 836920315 /nfs/dbraw/zinc/92/03/15/836920315.db2.gz DRAAQWNFFXVNDY-CQSZACIVSA-N 2 2 292.383 0.360 20 30 CCEDLP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293250 836920322 /nfs/dbraw/zinc/92/03/22/836920322.db2.gz DRAAQWNFFXVNDY-CQSZACIVSA-N 2 2 292.383 0.360 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001113343738 837091909 /nfs/dbraw/zinc/09/19/09/837091909.db2.gz ARHCBZPGVXPHFG-HNNXBMFYSA-N 2 2 295.427 0.818 20 30 CCEDLP C=CCOCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001113343738 837091917 /nfs/dbraw/zinc/09/19/17/837091917.db2.gz ARHCBZPGVXPHFG-HNNXBMFYSA-N 2 2 295.427 0.818 20 30 CCEDLP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134233838 838914156 /nfs/dbraw/zinc/91/41/56/838914156.db2.gz BMFQEJJCJIVHRQ-RYUDHWBXSA-N 2 2 262.357 0.848 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001185750319 844460919 /nfs/dbraw/zinc/46/09/19/844460919.db2.gz WAPDECMGRAVCTB-MGPQQGTHSA-N 2 2 286.379 0.737 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734569 841151196 /nfs/dbraw/zinc/15/11/96/841151196.db2.gz URFDIVKJESRLFJ-UKRRQHHQSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001036734569 841151202 /nfs/dbraw/zinc/15/12/02/841151202.db2.gz URFDIVKJESRLFJ-UKRRQHHQSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036734569 841151207 /nfs/dbraw/zinc/15/12/07/841151207.db2.gz URFDIVKJESRLFJ-UKRRQHHQSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036734569 841151215 /nfs/dbraw/zinc/15/12/15/841151215.db2.gz URFDIVKJESRLFJ-UKRRQHHQSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036852077 841396887 /nfs/dbraw/zinc/39/68/87/841396887.db2.gz WQVPLEBQJHHJMV-UONOGXRCSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036852077 841396901 /nfs/dbraw/zinc/39/69/01/841396901.db2.gz WQVPLEBQJHHJMV-UONOGXRCSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177088205 842503950 /nfs/dbraw/zinc/50/39/50/842503950.db2.gz IMRSYWBAEOTJFP-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177088205 842503962 /nfs/dbraw/zinc/50/39/62/842503962.db2.gz IMRSYWBAEOTJFP-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP COCC#CC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351678 842562911 /nfs/dbraw/zinc/56/29/11/842562911.db2.gz MPSNWSVMYCRYAN-UHFFFAOYSA-N 2 2 292.383 0.409 20 30 CCEDLP C#CCC[NH2+]CCN(CC)C(=O)CCn1cc[nH+]c1 ZINC001273533622 844640029 /nfs/dbraw/zinc/64/00/29/844640029.db2.gz BKOLNLSTOLEKJT-UHFFFAOYSA-N 2 2 262.357 0.735 20 30 CCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001273636610 845818307 /nfs/dbraw/zinc/81/83/07/845818307.db2.gz CRMFZTRPSYONOW-UHFFFAOYSA-N 2 2 295.427 0.816 20 30 CCEDLP N#Cc1ccc(C(=O)N(CCCC[NH3+])C(N)=[NH2+])c(O)c1 ZINC001195764454 846613846 /nfs/dbraw/zinc/61/38/46/846613846.db2.gz LDHRXRXMMDOVSF-UHFFFAOYSA-N 2 2 275.312 0.338 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498102 846764844 /nfs/dbraw/zinc/76/48/44/846764844.db2.gz ASGUHOLFWHQJMM-MGPQQGTHSA-N 2 2 292.383 0.572 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498102 846764851 /nfs/dbraw/zinc/76/48/51/846764851.db2.gz ASGUHOLFWHQJMM-MGPQQGTHSA-N 2 2 292.383 0.572 20 30 CCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498096 846765789 /nfs/dbraw/zinc/76/57/89/846765789.db2.gz APENVKUOVYPTGJ-MGPQQGTHSA-N 2 2 292.383 0.572 20 30 CCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498096 846765791 /nfs/dbraw/zinc/76/57/91/846765791.db2.gz APENVKUOVYPTGJ-MGPQQGTHSA-N 2 2 292.383 0.572 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038626749 849708618 /nfs/dbraw/zinc/70/86/18/849708618.db2.gz IJZCOJWCTUQGCT-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038626749 849708634 /nfs/dbraw/zinc/70/86/34/849708634.db2.gz IJZCOJWCTUQGCT-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038626749 849708639 /nfs/dbraw/zinc/70/86/39/849708639.db2.gz IJZCOJWCTUQGCT-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001038626749 849708642 /nfs/dbraw/zinc/70/86/42/849708642.db2.gz IJZCOJWCTUQGCT-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001038627227 849710122 /nfs/dbraw/zinc/71/01/22/849710122.db2.gz XZFGNLUSXZROFR-HUUCEWRRSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001038627227 849710126 /nfs/dbraw/zinc/71/01/26/849710126.db2.gz XZFGNLUSXZROFR-HUUCEWRRSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001038627227 849710139 /nfs/dbraw/zinc/71/01/39/849710139.db2.gz XZFGNLUSXZROFR-HUUCEWRRSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001038627227 849710144 /nfs/dbraw/zinc/71/01/44/849710144.db2.gz XZFGNLUSXZROFR-HUUCEWRRSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038861924 850053214 /nfs/dbraw/zinc/05/32/14/850053214.db2.gz DMPLIGUFWJZKMZ-HNNXBMFYSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001038861924 850053225 /nfs/dbraw/zinc/05/32/25/850053225.db2.gz DMPLIGUFWJZKMZ-HNNXBMFYSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038906424 850078169 /nfs/dbraw/zinc/07/81/69/850078169.db2.gz XPMAJBVLPPULQK-INIZCTEOSA-N 2 2 289.423 0.932 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038906424 850078185 /nfs/dbraw/zinc/07/81/85/850078185.db2.gz XPMAJBVLPPULQK-INIZCTEOSA-N 2 2 289.423 0.932 20 30 CCEDLP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040553311 850301113 /nfs/dbraw/zinc/30/11/13/850301113.db2.gz VSVFSIDYVOWRMV-INIZCTEOSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001040553311 850301124 /nfs/dbraw/zinc/30/11/24/850301124.db2.gz VSVFSIDYVOWRMV-INIZCTEOSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043099819 850813610 /nfs/dbraw/zinc/81/36/10/850813610.db2.gz QHAAMCRWFZRAFF-CQSZACIVSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043099819 850813620 /nfs/dbraw/zinc/81/36/20/850813620.db2.gz QHAAMCRWFZRAFF-CQSZACIVSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001043878257 850955513 /nfs/dbraw/zinc/95/55/13/850955513.db2.gz YNTYIXMTJFXQLR-CYBMUJFWSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043878257 850955519 /nfs/dbraw/zinc/95/55/19/850955519.db2.gz YNTYIXMTJFXQLR-CYBMUJFWSA-N 2 2 263.385 0.494 20 30 CCEDLP C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001043884525 850957497 /nfs/dbraw/zinc/95/74/97/850957497.db2.gz COWDSSMYMIEKIX-WCQYABFASA-N 2 2 251.374 0.513 20 30 CCEDLP C=CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001043884525 850957506 /nfs/dbraw/zinc/95/75/06/850957506.db2.gz COWDSSMYMIEKIX-WCQYABFASA-N 2 2 251.374 0.513 20 30 CCEDLP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046221184 851430592 /nfs/dbraw/zinc/43/05/92/851430592.db2.gz XUDHRLRGKARKCL-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046221184 851430594 /nfs/dbraw/zinc/43/05/94/851430594.db2.gz XUDHRLRGKARKCL-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221184 851430595 /nfs/dbraw/zinc/43/05/95/851430595.db2.gz XUDHRLRGKARKCL-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221184 851430597 /nfs/dbraw/zinc/43/05/97/851430597.db2.gz XUDHRLRGKARKCL-ZBFHGGJFSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001049392186 852255461 /nfs/dbraw/zinc/25/54/61/852255461.db2.gz VVDONHDEEFFCGR-KFWWJZLASA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001049392186 852255473 /nfs/dbraw/zinc/25/54/73/852255473.db2.gz VVDONHDEEFFCGR-KFWWJZLASA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049392186 852255495 /nfs/dbraw/zinc/25/54/95/852255495.db2.gz VVDONHDEEFFCGR-KFWWJZLASA-N 2 2 293.411 0.568 20 30 CCEDLP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750837 852366205 /nfs/dbraw/zinc/36/62/05/852366205.db2.gz OJRUHLJMDYLYLK-KGLIPLIRSA-N 2 2 272.352 0.651 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750837 852366214 /nfs/dbraw/zinc/36/62/14/852366214.db2.gz OJRUHLJMDYLYLK-KGLIPLIRSA-N 2 2 272.352 0.651 20 30 CCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001097361909 852531712 /nfs/dbraw/zinc/53/17/12/852531712.db2.gz HMOXRYKIGGYECI-XOUADPBQSA-N 2 2 298.390 0.800 20 30 CCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC001097361909 852531716 /nfs/dbraw/zinc/53/17/16/852531716.db2.gz HMOXRYKIGGYECI-XOUADPBQSA-N 2 2 298.390 0.800 20 30 CCEDLP C#CC[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001050741760 853421790 /nfs/dbraw/zinc/42/17/90/853421790.db2.gz OFHHHFIFMONJKN-UHFFFAOYSA-N 2 2 286.379 0.818 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081205 854344573 /nfs/dbraw/zinc/34/45/73/854344573.db2.gz IBQABTYXQOGIPK-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072081205 854344578 /nfs/dbraw/zinc/34/45/78/854344578.db2.gz IBQABTYXQOGIPK-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001074895590 854796139 /nfs/dbraw/zinc/79/61/39/854796139.db2.gz ABRSBWMORZWFKZ-DGAVXFQQSA-N 2 2 286.379 0.736 20 30 CCEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100016997 855071994 /nfs/dbraw/zinc/07/19/94/855071994.db2.gz CMPFDFLKSGKYQE-UONOGXRCSA-N 2 2 292.383 0.470 20 30 CCEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100016997 855071998 /nfs/dbraw/zinc/07/19/98/855071998.db2.gz CMPFDFLKSGKYQE-UONOGXRCSA-N 2 2 292.383 0.470 20 30 CCEDLP C#CC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100715497 855214595 /nfs/dbraw/zinc/21/45/95/855214595.db2.gz ODWYXLWWEAMYJP-HSBZDZAISA-N 2 2 274.368 0.952 20 30 CCEDLP C#CCC[N@H+](CCC)CCNC(=O)Cc1c[nH+]cn1C ZINC001481151375 892234044 /nfs/dbraw/zinc/23/40/44/892234044.db2.gz DMNQXRUYKYYKHV-UHFFFAOYSA-N 2 2 276.384 0.814 20 30 CCEDLP C#CCC[N@@H+](CCC)CCNC(=O)Cc1c[nH+]cn1C ZINC001481151375 892234063 /nfs/dbraw/zinc/23/40/63/892234063.db2.gz DMNQXRUYKYYKHV-UHFFFAOYSA-N 2 2 276.384 0.814 20 30 CCEDLP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001481250306 892436131 /nfs/dbraw/zinc/43/61/31/892436131.db2.gz MXMWRFDQSVVTGI-LBPRGKRZSA-N 2 2 262.357 0.680 20 30 CCEDLP C=C(Cl)C[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001326102098 913752097 /nfs/dbraw/zinc/75/20/97/913752097.db2.gz DBIWQRLOHFVFJU-UHFFFAOYSA-N 2 2 286.763 0.115 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001484609173 896497264 /nfs/dbraw/zinc/49/72/64/896497264.db2.gz JUHBGRNBEHYSRT-KBPBESRZSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001484609173 896497266 /nfs/dbraw/zinc/49/72/66/896497266.db2.gz JUHBGRNBEHYSRT-KBPBESRZSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001485080363 896770258 /nfs/dbraw/zinc/77/02/58/896770258.db2.gz RMUXEFSUXUVGTD-CYBMUJFWSA-N 2 2 262.357 0.992 20 30 CCEDLP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001485080363 896770251 /nfs/dbraw/zinc/77/02/51/896770251.db2.gz RMUXEFSUXUVGTD-CYBMUJFWSA-N 2 2 262.357 0.992 20 30 CCEDLP C=CC[N@@H+](C)[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001485333831 896954914 /nfs/dbraw/zinc/95/49/14/896954914.db2.gz KQJSYOYYTSNALO-LBPRGKRZSA-N 2 2 264.373 0.975 20 30 CCEDLP C=CC[N@H+](C)[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001485333831 896954930 /nfs/dbraw/zinc/95/49/30/896954930.db2.gz KQJSYOYYTSNALO-LBPRGKRZSA-N 2 2 264.373 0.975 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107954631 897588777 /nfs/dbraw/zinc/58/87/77/897588777.db2.gz TZOCXILNXNJZPD-FMKPAKJESA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107954631 897588784 /nfs/dbraw/zinc/58/87/84/897588784.db2.gz TZOCXILNXNJZPD-FMKPAKJESA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107954631 897588793 /nfs/dbraw/zinc/58/87/93/897588793.db2.gz TZOCXILNXNJZPD-FMKPAKJESA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107954631 897588801 /nfs/dbraw/zinc/58/88/01/897588801.db2.gz TZOCXILNXNJZPD-FMKPAKJESA-N 2 2 295.427 0.720 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032601976 897809578 /nfs/dbraw/zinc/80/95/78/897809578.db2.gz KFVOPGMQYHYXIQ-KBPBESRZSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032601976 897809589 /nfs/dbraw/zinc/80/95/89/897809589.db2.gz KFVOPGMQYHYXIQ-KBPBESRZSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733971 898030730 /nfs/dbraw/zinc/03/07/30/898030730.db2.gz OWBXTENANKTYPV-STQMWFEESA-N 2 2 259.353 0.001 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2 ZINC001032733971 898030745 /nfs/dbraw/zinc/03/07/45/898030745.db2.gz OWBXTENANKTYPV-STQMWFEESA-N 2 2 259.353 0.001 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107998845 898054545 /nfs/dbraw/zinc/05/45/45/898054545.db2.gz SYLCHYOAVFONMA-GOEBONIOSA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107998845 898054562 /nfs/dbraw/zinc/05/45/62/898054562.db2.gz SYLCHYOAVFONMA-GOEBONIOSA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108023089 898142968 /nfs/dbraw/zinc/14/29/68/898142968.db2.gz SGNNXCXFMDHSLD-UKRRQHHQSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108023089 898142976 /nfs/dbraw/zinc/14/29/76/898142976.db2.gz SGNNXCXFMDHSLD-UKRRQHHQSA-N 2 2 283.416 0.720 20 30 CCEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001486123524 898678120 /nfs/dbraw/zinc/67/81/20/898678120.db2.gz DMBAERDTWKFEMS-OCCSQVGLSA-N 2 2 292.383 0.734 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001486137969 898684443 /nfs/dbraw/zinc/68/44/43/898684443.db2.gz WIBVZIHPZHBNCE-UONOGXRCSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001490674200 900686088 /nfs/dbraw/zinc/68/60/88/900686088.db2.gz QLNCOFYTEAASTB-UPJWGTAASA-N 2 2 272.352 0.631 20 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CCEDLP CC#CC[N@@H+](C)CCOCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001331160247 917138432 /nfs/dbraw/zinc/13/84/32/917138432.db2.gz AMYPLQPNKTZEIX-UHFFFAOYSA-N 2 2 292.383 0.349 20 30 CCEDLP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001332528325 918257543 /nfs/dbraw/zinc/25/75/43/918257543.db2.gz HSAKFKOIHNSWGQ-TZMCWYRMSA-N 2 2 292.383 0.040 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001335843805 920476363 /nfs/dbraw/zinc/47/63/63/920476363.db2.gz RDWSPYBWYICANA-RYUDHWBXSA-N 2 2 283.372 0.034 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC001342351599 922924464 /nfs/dbraw/zinc/92/44/64/922924464.db2.gz ZVTNRZFJWSYRCX-KBPBESRZSA-N 2 2 283.416 0.897 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC001342351599 922924473 /nfs/dbraw/zinc/92/44/73/922924473.db2.gz ZVTNRZFJWSYRCX-KBPBESRZSA-N 2 2 283.416 0.897 20 30 CCEDLP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001343468239 923333146 /nfs/dbraw/zinc/33/31/46/923333146.db2.gz SIJPZOBVDKQLPV-CABZTGNLSA-N 2 2 255.281 0.404 20 30 CCEDLP C=CC[NH+](CC=C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000052868798 348516245 /nfs/dbraw/zinc/51/62/45/348516245.db2.gz BXACESZXANNSEH-UHFFFAOYSA-N 2 2 295.427 0.887 20 30 CCEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000059313437 348637080 /nfs/dbraw/zinc/63/70/80/348637080.db2.gz VVXIDWMKUCETIF-UHFFFAOYSA-N 2 2 286.379 0.764 20 30 CCEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000059313437 348637085 /nfs/dbraw/zinc/63/70/85/348637085.db2.gz VVXIDWMKUCETIF-UHFFFAOYSA-N 2 2 286.379 0.764 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122894002 350071321 /nfs/dbraw/zinc/07/13/21/350071321.db2.gz TYCUEUAMPHXPMI-QWRGUYRKSA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122894002 350071324 /nfs/dbraw/zinc/07/13/24/350071324.db2.gz TYCUEUAMPHXPMI-QWRGUYRKSA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156326508 350629688 /nfs/dbraw/zinc/62/96/88/350629688.db2.gz OKJJHSBDPPOYEV-CYBMUJFWSA-N 2 2 261.325 0.837 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156326508 350629691 /nfs/dbraw/zinc/62/96/91/350629691.db2.gz OKJJHSBDPPOYEV-CYBMUJFWSA-N 2 2 261.325 0.837 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414416 352513778 /nfs/dbraw/zinc/51/37/78/352513778.db2.gz HQUWADPRGOJWGJ-QWHCGFSZSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414416 352513780 /nfs/dbraw/zinc/51/37/80/352513780.db2.gz HQUWADPRGOJWGJ-QWHCGFSZSA-N 2 2 294.399 0.462 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000265749260 352660870 /nfs/dbraw/zinc/66/08/70/352660870.db2.gz IQGXGUDMRXHCMO-AWEZNQCLSA-N 2 2 288.395 0.981 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000265749261 352661549 /nfs/dbraw/zinc/66/15/49/352661549.db2.gz IQGXGUDMRXHCMO-CQSZACIVSA-N 2 2 288.395 0.981 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000279883392 353321831 /nfs/dbraw/zinc/32/18/31/353321831.db2.gz UUHCXVIYRDUREV-UHFFFAOYSA-N 2 2 274.368 0.520 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCCC#N ZINC000597992454 361300900 /nfs/dbraw/zinc/30/09/00/361300900.db2.gz LOLLVCKPMSRFRG-UHFFFAOYSA-N 2 2 254.378 0.680 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCCC#N ZINC000597992454 361300904 /nfs/dbraw/zinc/30/09/04/361300904.db2.gz LOLLVCKPMSRFRG-UHFFFAOYSA-N 2 2 254.378 0.680 20 30 CCEDLP C=CCCn1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)nn1 ZINC000657348816 412966223 /nfs/dbraw/zinc/96/62/23/412966223.db2.gz IJGIJQSTQIEBGS-CQSZACIVSA-N 2 2 292.431 0.580 20 30 CCEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC#N)CC2)CC1 ZINC000109789052 389099745 /nfs/dbraw/zinc/09/97/45/389099745.db2.gz QLFVAWWUDMIRQY-UHFFFAOYSA-N 2 2 278.400 0.776 20 30 CCEDLP [O-]C(N[C@@H]1CCc2[nH]c[nH+]c2C1)=[NH+]CC[NH+]1CCC1 ZINC000329742354 389195098 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C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366562173 389304344 /nfs/dbraw/zinc/30/43/44/389304344.db2.gz VJISMRPAWPBRJW-GXTWGEPZSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366562173 389304347 /nfs/dbraw/zinc/30/43/47/389304347.db2.gz VJISMRPAWPBRJW-GXTWGEPZSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366562173 389304350 /nfs/dbraw/zinc/30/43/50/389304350.db2.gz VJISMRPAWPBRJW-GXTWGEPZSA-N 2 2 251.374 0.705 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158665475 389348219 /nfs/dbraw/zinc/34/82/19/389348219.db2.gz XYMGLIHPJJQTNZ-STQMWFEESA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158665475 389348222 /nfs/dbraw/zinc/34/82/22/389348222.db2.gz XYMGLIHPJJQTNZ-STQMWFEESA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158665475 389348225 /nfs/dbraw/zinc/34/82/25/389348225.db2.gz XYMGLIHPJJQTNZ-STQMWFEESA-N 2 2 294.399 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158665475 389348228 /nfs/dbraw/zinc/34/82/28/389348228.db2.gz XYMGLIHPJJQTNZ-STQMWFEESA-N 2 2 294.399 0.414 20 30 CCEDLP CC(C)(CNC(=[NH2+])Nc1ccccn1)[NH+]1CCOCC1 ZINC000170906284 389467203 /nfs/dbraw/zinc/46/72/03/389467203.db2.gz FFXDDQHABYFALF-UHFFFAOYSA-N 2 2 277.372 0.919 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])C1=O ZINC000420290641 389979020 /nfs/dbraw/zinc/97/90/20/389979020.db2.gz MHIAAXNHOLFWSC-AGIUHOORSA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])C1=O ZINC000420290641 389979022 /nfs/dbraw/zinc/97/90/22/389979022.db2.gz MHIAAXNHOLFWSC-AGIUHOORSA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357051 389991085 /nfs/dbraw/zinc/99/10/85/389991085.db2.gz DHCZDOYGOLNONA-CQSZACIVSA-N 2 2 280.372 0.074 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357051 389991086 /nfs/dbraw/zinc/99/10/86/389991086.db2.gz DHCZDOYGOLNONA-CQSZACIVSA-N 2 2 280.372 0.074 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000519425464 390501170 /nfs/dbraw/zinc/50/11/70/390501170.db2.gz RGLYBELIGNJZOJ-OWYJLGKBSA-N 2 2 263.385 0.977 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000519425464 390501171 /nfs/dbraw/zinc/50/11/71/390501171.db2.gz RGLYBELIGNJZOJ-OWYJLGKBSA-N 2 2 263.385 0.977 20 30 CCEDLP C[NH+](CCNC[C@H](O)C[N@H+](C)CCC#N)C1CCCC1 ZINC000578186524 390868692 /nfs/dbraw/zinc/86/86/92/390868692.db2.gz UMYWXGHRYRZCEH-HNNXBMFYSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+](CCNC[C@H](O)C[N@@H+](C)CCC#N)C1CCCC1 ZINC000578186524 390868695 /nfs/dbraw/zinc/86/86/95/390868695.db2.gz UMYWXGHRYRZCEH-HNNXBMFYSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+](CCC#N)C[C@@H](O)CNCC[N@H+](C)C1CCCC1 ZINC000578186524 390868697 /nfs/dbraw/zinc/86/86/97/390868697.db2.gz UMYWXGHRYRZCEH-HNNXBMFYSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+](CCC#N)C[C@@H](O)CNCC[N@@H+](C)C1CCCC1 ZINC000578186524 390868699 /nfs/dbraw/zinc/86/86/99/390868699.db2.gz UMYWXGHRYRZCEH-HNNXBMFYSA-N 2 2 282.432 0.657 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC000369245344 144259984 /nfs/dbraw/zinc/25/99/84/144259984.db2.gz XQWMKHWPFDUOOQ-AWEZNQCLSA-N 2 2 285.395 0.956 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC000369245344 144259986 /nfs/dbraw/zinc/25/99/86/144259986.db2.gz XQWMKHWPFDUOOQ-AWEZNQCLSA-N 2 2 285.395 0.956 20 30 CCEDLP N#Cc1cnn2cc(C[NH2+]CCCn3cc[nH+]c3)cnc12 ZINC000549761472 286097983 /nfs/dbraw/zinc/09/79/83/286097983.db2.gz JOENHEFQUQQSPW-UHFFFAOYSA-N 2 2 281.323 0.977 20 30 CCEDLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000407988067 260151485 /nfs/dbraw/zinc/15/14/85/260151485.db2.gz CABQSPKRHXMKBK-OLZOCXBDSA-N 2 2 264.373 0.384 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149929 260152706 /nfs/dbraw/zinc/15/27/06/260152706.db2.gz AUTDTKRCIMIPMQ-LLVKDONJSA-N 2 2 268.361 0.202 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149929 260152707 /nfs/dbraw/zinc/15/27/07/260152707.db2.gz AUTDTKRCIMIPMQ-LLVKDONJSA-N 2 2 268.361 0.202 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407989399 260153110 /nfs/dbraw/zinc/15/31/10/260153110.db2.gz HCBNNQFIVQBXIN-RRFJBIMHSA-N 2 2 290.411 0.917 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000407989399 260153112 /nfs/dbraw/zinc/15/31/12/260153112.db2.gz HCBNNQFIVQBXIN-RRFJBIMHSA-N 2 2 290.411 0.917 20 30 CCEDLP Cc1nc(N2CC[NH+](CCOCCC#N)CC2)cc[nH+]1 ZINC000294670348 263165545 /nfs/dbraw/zinc/16/55/45/263165545.db2.gz RVQHVNXAWJHVHQ-UHFFFAOYSA-N 2 2 275.356 0.837 20 30 CCEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC#N)C[C@@H]1C ZINC000330873479 264059332 /nfs/dbraw/zinc/05/93/32/264059332.db2.gz SIEUXJJNNXAZCW-NWDGAFQWSA-N 2 2 252.362 0.431 20 30 CCEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC#N)C[C@@H]1C ZINC000330873479 264059335 /nfs/dbraw/zinc/05/93/35/264059335.db2.gz SIEUXJJNNXAZCW-NWDGAFQWSA-N 2 2 252.362 0.431 20 30 CCEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C[C@@H]1C ZINC000330873479 264059336 /nfs/dbraw/zinc/05/93/36/264059336.db2.gz SIEUXJJNNXAZCW-NWDGAFQWSA-N 2 2 252.362 0.431 20 30 CCEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C[C@@H]1C ZINC000330873479 264059339 /nfs/dbraw/zinc/05/93/39/264059339.db2.gz SIEUXJJNNXAZCW-NWDGAFQWSA-N 2 2 252.362 0.431 20 30 CCEDLP C[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000525886311 265034616 /nfs/dbraw/zinc/03/46/16/265034616.db2.gz ACPAKGMWDFLJTA-ZDUSSCGKSA-N 2 2 278.400 0.822 20 30 CCEDLP C[N@H+](CC(=O)NC1(C#N)CCC1)C[C@H]1CCC[NH+](C)C1 ZINC000525886311 265034618 /nfs/dbraw/zinc/03/46/18/265034618.db2.gz ACPAKGMWDFLJTA-ZDUSSCGKSA-N 2 2 278.400 0.822 20 30 CCEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000525886311 265034620 /nfs/dbraw/zinc/03/46/20/265034620.db2.gz ACPAKGMWDFLJTA-ZDUSSCGKSA-N 2 2 278.400 0.822 20 30 CCEDLP C[NH+](CC(=O)NC1(C#N)CCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000525886311 265034622 /nfs/dbraw/zinc/03/46/22/265034622.db2.gz ACPAKGMWDFLJTA-ZDUSSCGKSA-N 2 2 278.400 0.822 20 30 CCEDLP C#CCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369774464 267265022 /nfs/dbraw/zinc/26/50/22/267265022.db2.gz JVGGNUDSHULAGT-AWEZNQCLSA-N 2 2 292.427 0.868 20 30 CCEDLP C#CCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369774464 267265024 /nfs/dbraw/zinc/26/50/24/267265024.db2.gz JVGGNUDSHULAGT-AWEZNQCLSA-N 2 2 292.427 0.868 20 30 CCEDLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000114199085 289213486 /nfs/dbraw/zinc/21/34/86/289213486.db2.gz PBPIMHNBPTZYJS-CQSZACIVSA-N 2 2 291.399 0.526 20 30 CCEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000114199085 289213488 /nfs/dbraw/zinc/21/34/88/289213488.db2.gz PBPIMHNBPTZYJS-CQSZACIVSA-N 2 2 291.399 0.526 20 30 CCEDLP C=CCCOCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000564849708 327014433 /nfs/dbraw/zinc/01/44/33/327014433.db2.gz OIUBDMBAOKUASF-KFWWJZLASA-N 2 2 286.416 0.639 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000173644194 329149750 /nfs/dbraw/zinc/14/97/50/329149750.db2.gz CPQYYXOONPJQKF-GFCCVEGCSA-N 2 2 269.389 0.378 20 30 CCEDLP C[C@@H]1C[NH+]=C(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)N1 ZINC000262669182 330025760 /nfs/dbraw/zinc/02/57/60/330025760.db2.gz QFEXMICNFNGJDH-CQSZACIVSA-N 3 2 293.459 0.874 20 30 CCEDLP C[C@H]1C[NH+]=C(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)N1 ZINC000262676388 330026122 /nfs/dbraw/zinc/02/61/22/330026122.db2.gz UBDHTJNGKUFZLQ-SDDRHHMPSA-N 2 2 268.405 0.812 20 30 CCEDLP C[C@H]1C[NH+]=C(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)N1 ZINC000262676388 330026124 /nfs/dbraw/zinc/02/61/24/330026124.db2.gz UBDHTJNGKUFZLQ-SDDRHHMPSA-N 2 2 268.405 0.812 20 30 CCEDLP C[C@@H]1C[NH+](C(C)(C)CNC2=[NH+]CCN2C)C[C@@H](C)O1 ZINC000262686226 330027096 /nfs/dbraw/zinc/02/70/96/330027096.db2.gz YMDMBZYPKGVERB-VXGBXAGGSA-N 2 2 268.405 0.765 20 30 CCEDLP C=CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000270679680 330076673 /nfs/dbraw/zinc/07/66/73/330076673.db2.gz UKRAFXYKSWIUQV-CYBMUJFWSA-N 2 2 283.397 0.867 20 30 CCEDLP C=CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000270679680 330076674 /nfs/dbraw/zinc/07/66/74/330076674.db2.gz UKRAFXYKSWIUQV-CYBMUJFWSA-N 2 2 283.397 0.867 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000490699461 332106162 /nfs/dbraw/zinc/10/61/62/332106162.db2.gz QJLNBHKGFUUWPC-KBPBESRZSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000490699461 332106163 /nfs/dbraw/zinc/10/61/63/332106163.db2.gz QJLNBHKGFUUWPC-KBPBESRZSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000490699461 332106164 /nfs/dbraw/zinc/10/61/64/332106164.db2.gz QJLNBHKGFUUWPC-KBPBESRZSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000490699461 332106165 /nfs/dbraw/zinc/10/61/65/332106165.db2.gz QJLNBHKGFUUWPC-KBPBESRZSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000490720960 332109019 /nfs/dbraw/zinc/10/90/19/332109019.db2.gz UZDVDFZJHNHKSN-GJZGRUSLSA-N 2 2 293.411 0.121 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000490720960 332109020 /nfs/dbraw/zinc/10/90/20/332109020.db2.gz UZDVDFZJHNHKSN-GJZGRUSLSA-N 2 2 293.411 0.121 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000491732767 332314211 /nfs/dbraw/zinc/31/42/11/332314211.db2.gz CIDWVYYFUQCFBW-GFCCVEGCSA-N 2 2 260.341 0.349 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000491732767 332314212 /nfs/dbraw/zinc/31/42/12/332314212.db2.gz CIDWVYYFUQCFBW-GFCCVEGCSA-N 2 2 260.341 0.349 20 30 CCEDLP C#C[C@H](CC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000491767809 332335541 /nfs/dbraw/zinc/33/55/41/332335541.db2.gz HIHHNPAMAJZXHI-OAHLLOKOSA-N 2 2 279.428 0.784 20 30 CCEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000491767809 332335542 /nfs/dbraw/zinc/33/55/42/332335542.db2.gz HIHHNPAMAJZXHI-OAHLLOKOSA-N 2 2 279.428 0.784 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H](C)C2)CC1 ZINC000491769574 332336831 /nfs/dbraw/zinc/33/68/31/332336831.db2.gz KUVYWVJCNZWATR-CQSZACIVSA-N 2 2 295.452 0.449 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H](C)C2)CC1 ZINC000491769574 332336833 /nfs/dbraw/zinc/33/68/33/332336833.db2.gz KUVYWVJCNZWATR-CQSZACIVSA-N 2 2 295.452 0.449 20 30 CCEDLP C=CCC(CC=C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576105715 335155060 /nfs/dbraw/zinc/15/50/60/335155060.db2.gz NREJFDHNYYTOCP-CYBMUJFWSA-N 2 2 251.374 0.856 20 30 CCEDLP C=CCC(CC=C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576105715 335155062 /nfs/dbraw/zinc/15/50/62/335155062.db2.gz NREJFDHNYYTOCP-CYBMUJFWSA-N 2 2 251.374 0.856 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C)CC1 ZINC000134397248 334089729 /nfs/dbraw/zinc/08/97/29/334089729.db2.gz JRLHBDJLIBQDNW-CQSZACIVSA-N 2 2 295.427 0.103 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CO)C(C)(C)C)CC1 ZINC000134397248 334089730 /nfs/dbraw/zinc/08/97/30/334089730.db2.gz JRLHBDJLIBQDNW-CQSZACIVSA-N 2 2 295.427 0.103 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)Cn2cc[nH+]c2CCC)CC1 ZINC000158171533 334794549 /nfs/dbraw/zinc/79/45/49/334794549.db2.gz OEWNPJZLJRTUNC-UHFFFAOYSA-N 2 2 274.368 0.613 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246285215 534862244 /nfs/dbraw/zinc/86/22/44/534862244.db2.gz ADNQURVMELNUDN-NEPJUHHUSA-N 2 2 282.388 0.270 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246285215 534862245 /nfs/dbraw/zinc/86/22/45/534862245.db2.gz ADNQURVMELNUDN-NEPJUHHUSA-N 2 2 282.388 0.270 20 30 CCEDLP C=CCOCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000347961645 526756258 /nfs/dbraw/zinc/75/62/58/526756258.db2.gz APHPZZSEBHYNND-UHFFFAOYSA-N 2 2 269.389 0.285 20 30 CCEDLP C=CCC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895120 545577582 /nfs/dbraw/zinc/57/75/82/545577582.db2.gz FHNFHEZGSWWZDC-LBPRGKRZSA-N 2 2 250.346 0.859 20 30 CCEDLP C[C@@H]1C[NH+]=C(N[NH+]=Cc2ccc(N3CCOCC3)cc2)N1 ZINC000779792849 581205530 /nfs/dbraw/zinc/20/55/30/581205530.db2.gz VIMDOKRKUHWERB-GFCCVEGCSA-N 2 2 287.367 0.794 20 30 CCEDLP C[NH+]1CCN(c2ncc(C=[NH+]Nc3cncnc3)cn2)CC1 ZINC000794971500 581393190 /nfs/dbraw/zinc/39/31/90/581393190.db2.gz HDQOJUCLUDKHIQ-UHFFFAOYSA-N 2 2 298.354 0.464 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000767436893 581613344 /nfs/dbraw/zinc/61/33/44/581613344.db2.gz ZRKABYJLRPXKGE-OLZOCXBDSA-N 2 2 260.341 0.515 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000767436893 581613348 /nfs/dbraw/zinc/61/33/48/581613348.db2.gz ZRKABYJLRPXKGE-OLZOCXBDSA-N 2 2 260.341 0.515 20 30 CCEDLP N#CCCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920595 581620885 /nfs/dbraw/zinc/62/08/85/581620885.db2.gz MTAVVZUGJANPTH-LBPRGKRZSA-N 2 2 261.329 0.550 20 30 CCEDLP N#CCCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920595 581620887 /nfs/dbraw/zinc/62/08/87/581620887.db2.gz MTAVVZUGJANPTH-LBPRGKRZSA-N 2 2 261.329 0.550 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000730097245 581645375 /nfs/dbraw/zinc/64/53/75/581645375.db2.gz KDINVUUFIWNBRS-AWEZNQCLSA-N 2 2 286.379 0.861 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000730097245 581645378 /nfs/dbraw/zinc/64/53/78/581645378.db2.gz KDINVUUFIWNBRS-AWEZNQCLSA-N 2 2 286.379 0.861 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000730105145 581646641 /nfs/dbraw/zinc/64/66/41/581646641.db2.gz BKGQEYBQKYCCBP-HNNXBMFYSA-N 2 2 293.411 0.313 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCOCC1 ZINC000730105145 581646643 /nfs/dbraw/zinc/64/66/43/581646643.db2.gz BKGQEYBQKYCCBP-HNNXBMFYSA-N 2 2 293.411 0.313 20 30 CCEDLP CNC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771551394 581807875 /nfs/dbraw/zinc/80/78/75/581807875.db2.gz APWATHJGIDSZJX-UHFFFAOYSA-N 2 2 291.424 0.866 20 30 CCEDLP C#CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000965950829 612954411 /nfs/dbraw/zinc/95/44/11/612954411.db2.gz WFEXJSJGLLWOGK-UHFFFAOYSA-N 2 2 272.352 0.533 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767936 613018081 /nfs/dbraw/zinc/01/80/81/613018081.db2.gz YUYHRQLVWVRLPU-QWHCGFSZSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767936 613018083 /nfs/dbraw/zinc/01/80/83/613018083.db2.gz YUYHRQLVWVRLPU-QWHCGFSZSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947860975 613026702 /nfs/dbraw/zinc/02/67/02/613026702.db2.gz CNDUTUVCGWNXET-STQMWFEESA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947860975 613026704 /nfs/dbraw/zinc/02/67/04/613026704.db2.gz CNDUTUVCGWNXET-STQMWFEESA-N 2 2 274.368 0.945 20 30 CCEDLP 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C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1C[N@@H+](C)CCO1 ZINC000913507634 613363478 /nfs/dbraw/zinc/36/34/78/613363478.db2.gz RCVPFTVDFVCDLU-ZDUSSCGKSA-N 2 2 269.389 0.283 20 30 CCEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000957413706 613477980 /nfs/dbraw/zinc/47/79/80/613477980.db2.gz ROIDJABDTPZOBX-HNNXBMFYSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000957413706 613477984 /nfs/dbraw/zinc/47/79/84/613477984.db2.gz ROIDJABDTPZOBX-HNNXBMFYSA-N 2 2 295.427 0.816 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968543517 613571557 /nfs/dbraw/zinc/57/15/57/613571557.db2.gz BWOXFYFGBACUMC-HIFRSBDPSA-N 2 2 288.395 0.813 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968543517 613571559 /nfs/dbraw/zinc/57/15/59/613571559.db2.gz BWOXFYFGBACUMC-HIFRSBDPSA-N 2 2 288.395 0.813 20 30 CCEDLP C=CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981435343 613694827 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CCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972294142 613726838 /nfs/dbraw/zinc/72/68/38/613726838.db2.gz IHQWLPOYXXXHDY-GOEBONIOSA-N 2 2 293.411 0.570 20 30 CCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972294142 613726840 /nfs/dbraw/zinc/72/68/40/613726840.db2.gz IHQWLPOYXXXHDY-GOEBONIOSA-N 2 2 293.411 0.570 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925634573 613886059 /nfs/dbraw/zinc/88/60/59/613886059.db2.gz KRIMJWAMSUNBHC-AGIUHOORSA-N 2 2 286.441 0.953 20 30 CCEDLP CC(C)C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)n1cc[nH+]c1 ZINC000876803203 614210762 /nfs/dbraw/zinc/21/07/62/614210762.db2.gz VFWUFCFERHCWOJ-YNEHKIRRSA-N 2 2 275.356 0.698 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001019799422 623911596 /nfs/dbraw/zinc/91/15/96/623911596.db2.gz OBVKDTPYCFSSDB-LSDHHAIUSA-N 2 2 293.411 0.474 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261949611 624880594 /nfs/dbraw/zinc/88/05/94/624880594.db2.gz GYKGNZHEFCWWEZ-TZMCWYRMSA-N 3 2 279.432 0.340 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261949611 624880596 /nfs/dbraw/zinc/88/05/96/624880596.db2.gz GYKGNZHEFCWWEZ-TZMCWYRMSA-N 3 2 279.432 0.340 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001022492619 625008806 /nfs/dbraw/zinc/00/88/06/625008806.db2.gz GVMDXVWBQAMOTB-ZNMIVQPWSA-N 2 2 293.411 0.357 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001022492619 625008808 /nfs/dbraw/zinc/00/88/08/625008808.db2.gz GVMDXVWBQAMOTB-ZNMIVQPWSA-N 2 2 293.411 0.357 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988750926 633102221 /nfs/dbraw/zinc/10/22/21/633102221.db2.gz OAQVADDKZCEJOS-NWDGAFQWSA-N 2 2 260.341 0.555 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001014998427 637289234 /nfs/dbraw/zinc/28/92/34/637289234.db2.gz BIVYGVUIWGCDLX-KGLIPLIRSA-N 2 2 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C#CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C(C)(C)C ZINC000932462443 649074082 /nfs/dbraw/zinc/07/40/82/649074082.db2.gz ZGISDMIGCAMXEK-CYBMUJFWSA-N 2 2 256.390 0.659 20 30 CCEDLP C#CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C(C)(C)C ZINC000932462443 649074086 /nfs/dbraw/zinc/07/40/86/649074086.db2.gz ZGISDMIGCAMXEK-CYBMUJFWSA-N 2 2 256.390 0.659 20 30 CCEDLP C#CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C(C)(C)C ZINC000932462443 649074088 /nfs/dbraw/zinc/07/40/88/649074088.db2.gz ZGISDMIGCAMXEK-CYBMUJFWSA-N 2 2 256.390 0.659 20 30 CCEDLP C=CCCC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001277707284 805974019 /nfs/dbraw/zinc/97/40/19/805974019.db2.gz YXRZTONSSNMVBG-UHFFFAOYSA-N 2 2 262.357 0.992 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001266767431 791224193 /nfs/dbraw/zinc/22/41/93/791224193.db2.gz NLHRQLSQJARFME-AWEZNQCLSA-N 2 2 288.395 0.814 20 30 CCEDLP C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001267061656 791490591 /nfs/dbraw/zinc/49/05/91/791490591.db2.gz QVEOZWZSCDHVID-AWEZNQCLSA-N 2 2 295.427 0.721 20 30 CCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278104984 806674566 /nfs/dbraw/zinc/67/45/66/806674566.db2.gz CVAJLKODUOYTIF-QWHCGFSZSA-N 2 2 292.383 0.088 20 30 CCEDLP C#CCC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001121953699 799106344 /nfs/dbraw/zinc/10/63/44/799106344.db2.gz JQCNWTZNCXUMME-UHFFFAOYSA-N 2 2 286.379 0.993 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152619081 800542654 /nfs/dbraw/zinc/54/26/54/800542654.db2.gz VWPCRZQKXOCYOF-CQSZACIVSA-N 2 2 276.384 0.966 20 30 CCEDLP C=C(C)C[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152619080 800542816 /nfs/dbraw/zinc/54/28/16/800542816.db2.gz VWPCRZQKXOCYOF-AWEZNQCLSA-N 2 2 276.384 0.966 20 30 CCEDLP N#Cc1cccnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155362059 800958258 /nfs/dbraw/zinc/95/82/58/800958258.db2.gz DRZACXPCMPPHJT-CQSZACIVSA-N 2 2 271.368 0.813 20 30 CCEDLP N#Cc1ccnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c1F 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20 30 CCEDLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCC(C#Cc3ccccc3)CC2)C1 ZINC001161152262 802102208 /nfs/dbraw/zinc/10/22/08/802102208.db2.gz DXCKCFZDBBYBDV-IRXDYDNUSA-N 2 2 297.402 0.966 20 30 CCEDLP Cc1[nH+]c2c(n1-c1cc(C#N)nc(C)n1)CC[NH2+]CC2 ZINC001165355202 802825988 /nfs/dbraw/zinc/82/59/88/802825988.db2.gz CBORYMKEAFXPRD-UHFFFAOYSA-N 2 2 268.324 0.839 20 30 CCEDLP CC#CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204083124 803063999 /nfs/dbraw/zinc/06/39/99/803063999.db2.gz BUHFYJITXPMSLW-UHFFFAOYSA-N 2 2 260.341 0.487 20 30 CCEDLP N#Cc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)nc1 ZINC001205688591 803156232 /nfs/dbraw/zinc/15/62/32/803156232.db2.gz JKECJCLGPDWCEV-AWEZNQCLSA-N 2 2 260.341 0.629 20 30 CCEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)nc1 ZINC001205688591 803156238 /nfs/dbraw/zinc/15/62/38/803156238.db2.gz JKECJCLGPDWCEV-AWEZNQCLSA-N 2 2 260.341 0.629 20 30 CCEDLP CC(C)(NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccc(C#N)cc1 ZINC001219988448 804466839 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0.311 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867083 804956142 /nfs/dbraw/zinc/95/61/42/804956142.db2.gz ISQIREHLOBYEBU-CQSZACIVSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225677233 805151193 /nfs/dbraw/zinc/15/11/93/805151193.db2.gz SMJHLLYXKQEZAQ-UHFFFAOYSA-N 2 2 274.368 0.735 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967936 815130147 /nfs/dbraw/zinc/13/01/47/815130147.db2.gz XOVYXLKQGQJIDB-OFQRWUPVSA-N 2 2 298.390 0.611 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075967936 815130149 /nfs/dbraw/zinc/13/01/49/815130149.db2.gz XOVYXLKQGQJIDB-OFQRWUPVSA-N 2 2 298.390 0.611 20 30 CCEDLP C=CCOC[C@@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001252473253 807885188 /nfs/dbraw/zinc/88/51/88/807885188.db2.gz JLJTXMXJKHPCED-ZDUSSCGKSA-N 2 2 253.346 0.769 20 30 CCEDLP C=CCOC[C@@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001252473253 807885195 /nfs/dbraw/zinc/88/51/95/807885195.db2.gz JLJTXMXJKHPCED-ZDUSSCGKSA-N 2 2 253.346 0.769 20 30 CCEDLP C[N@H+](C[C@H](O)C[NH2+]CC#C[C@@H]1CCCCO1)C1CC1 ZINC001262578501 809354670 /nfs/dbraw/zinc/35/46/70/809354670.db2.gz REQHLJUIEMGIQQ-CABCVRRESA-N 2 2 266.385 0.604 20 30 CCEDLP C[N@@H+](C[C@H](O)C[NH2+]CC#C[C@@H]1CCCCO1)C1CC1 ZINC001262578501 809354679 /nfs/dbraw/zinc/35/46/79/809354679.db2.gz REQHLJUIEMGIQQ-CABCVRRESA-N 2 2 266.385 0.604 20 30 CCEDLP CCC(C#N)(CC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001263192220 809476506 /nfs/dbraw/zinc/47/65/06/809476506.db2.gz RRILTSOQXRPHFC-UHFFFAOYSA-N 2 2 266.389 0.856 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265306422 809753576 /nfs/dbraw/zinc/75/35/76/809753576.db2.gz PQQUHFBFCSITER-OLZOCXBDSA-N 2 2 260.341 0.658 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265306422 809753580 /nfs/dbraw/zinc/75/35/80/809753580.db2.gz PQQUHFBFCSITER-OLZOCXBDSA-N 2 2 260.341 0.658 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001265456008 809782588 /nfs/dbraw/zinc/78/25/88/809782588.db2.gz CHSZAVABSAAGEL-LBPRGKRZSA-N 2 2 260.341 0.474 20 30 CCEDLP C#CCC[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001265740690 809833944 /nfs/dbraw/zinc/83/39/44/809833944.db2.gz MFLGJEMFSHHIHW-UHFFFAOYSA-N 2 2 274.368 0.993 20 30 CCEDLP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265792175 809855119 /nfs/dbraw/zinc/85/51/19/809855119.db2.gz JAZDTIOBFKIMMS-VXGBXAGGSA-N 2 2 260.341 0.173 20 30 CCEDLP C#CCC[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001265873643 809882250 /nfs/dbraw/zinc/88/22/50/809882250.db2.gz YJQUSVKJYVLYEC-CYBMUJFWSA-N 2 2 262.357 0.781 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001279471218 809982861 /nfs/dbraw/zinc/98/28/61/809982861.db2.gz MDKGNWDUNYSYRH-GOEBONIOSA-N 2 2 293.411 0.047 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001279471218 809982865 /nfs/dbraw/zinc/98/28/65/809982865.db2.gz MDKGNWDUNYSYRH-GOEBONIOSA-N 2 2 293.411 0.047 20 30 CCEDLP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001279471218 809982868 /nfs/dbraw/zinc/98/28/68/809982868.db2.gz MDKGNWDUNYSYRH-GOEBONIOSA-N 2 2 293.411 0.047 20 30 CCEDLP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001279471218 809982873 /nfs/dbraw/zinc/98/28/73/809982873.db2.gz MDKGNWDUNYSYRH-GOEBONIOSA-N 2 2 293.411 0.047 20 30 CCEDLP COCC#CC[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268406245 812550116 /nfs/dbraw/zinc/55/01/16/812550116.db2.gz UMBVWKBDFNWPOE-LBPRGKRZSA-N 2 2 278.356 0.086 20 30 CCEDLP C=C(Cl)C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001268633238 812956818 /nfs/dbraw/zinc/95/68/18/812956818.db2.gz KWACMPSFZSKNFX-IHWYPQMZSA-N 2 2 268.748 0.898 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268652766 812982598 /nfs/dbraw/zinc/98/25/98/812982598.db2.gz PSYFWJUMLSAGOH-OLZOCXBDSA-N 2 2 274.368 0.563 20 30 CCEDLP COCC#CC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001269422441 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DVRLDSDYOZHYDK-OAHLLOKOSA-N 2 2 297.443 0.919 20 30 CCEDLP C=C(Cl)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639187 838163438 /nfs/dbraw/zinc/16/34/38/838163438.db2.gz BBSUSCIJNXTNBJ-UHFFFAOYSA-N 2 2 270.764 0.811 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134617209 839022965 /nfs/dbraw/zinc/02/29/65/839022965.db2.gz IOLLWJRSJSWZFM-UHFFFAOYSA-N 2 2 293.411 0.361 20 30 CCEDLP C=CCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135071201 839150009 /nfs/dbraw/zinc/15/00/09/839150009.db2.gz BKZSTUDTIDDJCI-LLVKDONJSA-N 2 2 250.346 0.870 20 30 CCEDLP C=CCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135071201 839150011 /nfs/dbraw/zinc/15/00/11/839150011.db2.gz BKZSTUDTIDDJCI-LLVKDONJSA-N 2 2 250.346 0.870 20 30 CCEDLP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135555477 839292830 /nfs/dbraw/zinc/29/28/30/839292830.db2.gz APHQTNAPBQWWFL-NEPJUHHUSA-N 2 2 262.357 0.848 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185789138 844459970 /nfs/dbraw/zinc/45/99/70/844459970.db2.gz SKXAOMQAPWYJMP-CABCVRRESA-N 2 2 288.395 0.981 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091632660 840593920 /nfs/dbraw/zinc/59/39/20/840593920.db2.gz CKHSHISVELJFNI-CJNGLKHVSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001091632660 840593932 /nfs/dbraw/zinc/59/39/32/840593932.db2.gz CKHSHISVELJFNI-CJNGLKHVSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001251851648 847204815 /nfs/dbraw/zinc/20/48/15/847204815.db2.gz PLQNTQYMPJTDNA-OLZOCXBDSA-N 2 2 263.341 0.600 20 30 CCEDLP C#CCOC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001251851648 847204822 /nfs/dbraw/zinc/20/48/22/847204822.db2.gz PLQNTQYMPJTDNA-OLZOCXBDSA-N 2 2 263.341 0.600 20 30 CCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001273929382 847857987 /nfs/dbraw/zinc/85/79/87/847857987.db2.gz JZCIHSAZAGACLM-OAHLLOKOSA-N 2 2 292.383 0.390 20 30 CCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202218136 847869334 /nfs/dbraw/zinc/86/93/34/847869334.db2.gz USXVTJCEVNNSLA-ZDUSSCGKSA-N 2 2 278.356 0.276 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043875842 850954655 /nfs/dbraw/zinc/95/46/55/850954655.db2.gz NMZTYFAXTFUGHL-ZDUSSCGKSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043875842 850954660 /nfs/dbraw/zinc/95/46/60/850954660.db2.gz NMZTYFAXTFUGHL-ZDUSSCGKSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001044791443 851159666 /nfs/dbraw/zinc/15/96/66/851159666.db2.gz GJXKVGAFQLBRBV-NEPJUHHUSA-N 2 2 260.341 0.555 20 30 CCEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045397614 851250070 /nfs/dbraw/zinc/25/00/70/851250070.db2.gz IRGZLXCMTSSAKY-CQSZACIVSA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397614 851250075 /nfs/dbraw/zinc/25/00/75/851250075.db2.gz IRGZLXCMTSSAKY-CQSZACIVSA-N 2 2 295.427 0.864 20 30 CCEDLP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001045397623 851250554 /nfs/dbraw/zinc/25/05/54/851250554.db2.gz IYANKTMAGXYDNK-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397623 851250568 /nfs/dbraw/zinc/25/05/68/851250568.db2.gz IYANKTMAGXYDNK-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434662 851501376 /nfs/dbraw/zinc/50/13/76/851501376.db2.gz PMDGKZOWKHYSEE-CJNGLKHVSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434662 851501383 /nfs/dbraw/zinc/50/13/83/851501383.db2.gz PMDGKZOWKHYSEE-CJNGLKHVSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434664 851502368 /nfs/dbraw/zinc/50/23/68/851502368.db2.gz PMDGKZOWKHYSEE-XJKSGUPXSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001046434664 851502371 /nfs/dbraw/zinc/50/23/71/851502371.db2.gz PMDGKZOWKHYSEE-XJKSGUPXSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867030 852388403 /nfs/dbraw/zinc/38/84/03/852388403.db2.gz LUUCMWDCKGJAFV-HUUCEWRRSA-N 2 2 286.379 0.959 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001049867030 852388415 /nfs/dbraw/zinc/38/84/15/852388415.db2.gz LUUCMWDCKGJAFV-HUUCEWRRSA-N 2 2 286.379 0.959 20 30 CCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001096880203 852460206 /nfs/dbraw/zinc/46/02/06/852460206.db2.gz IAPHBTVZHKZFKV-APIJFGDWSA-N 2 2 275.396 0.825 20 30 CCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001096880203 852460208 /nfs/dbraw/zinc/46/02/08/852460208.db2.gz IAPHBTVZHKZFKV-APIJFGDWSA-N 2 2 275.396 0.825 20 30 CCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001096880203 852460209 /nfs/dbraw/zinc/46/02/09/852460209.db2.gz IAPHBTVZHKZFKV-APIJFGDWSA-N 2 2 275.396 0.825 20 30 CCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001096880203 852460211 /nfs/dbraw/zinc/46/02/11/852460211.db2.gz IAPHBTVZHKZFKV-APIJFGDWSA-N 2 2 275.396 0.825 20 30 CCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053531168 852754400 /nfs/dbraw/zinc/75/44/00/852754400.db2.gz LVHRAHGBUMVKPH-CQSZACIVSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053531168 852754409 /nfs/dbraw/zinc/75/44/09/852754409.db2.gz LVHRAHGBUMVKPH-CQSZACIVSA-N 2 2 293.411 0.427 20 30 CCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054009167 852868876 /nfs/dbraw/zinc/86/88/76/852868876.db2.gz QBGFIYLPMUBGOY-AWEZNQCLSA-N 2 2 291.395 0.065 20 30 CCEDLP C#CCC[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001050708969 853416456 /nfs/dbraw/zinc/41/64/56/853416456.db2.gz GXYZDPPUNPNYOV-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051099496 853523316 /nfs/dbraw/zinc/52/33/16/853523316.db2.gz XHRXPUIBICJLJH-OAHLLOKOSA-N 2 2 295.427 0.721 20 30 CCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051099496 853523327 /nfs/dbraw/zinc/52/33/27/853523327.db2.gz XHRXPUIBICJLJH-OAHLLOKOSA-N 2 2 295.427 0.721 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001072084391 854346144 /nfs/dbraw/zinc/34/61/44/854346144.db2.gz BIFIJINZIJSSBK-GXTWGEPZSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001072084391 854346146 /nfs/dbraw/zinc/34/61/46/854346146.db2.gz BIFIJINZIJSSBK-GXTWGEPZSA-N 2 2 274.368 0.794 20 30 CCEDLP C#CCC[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673330 854443581 /nfs/dbraw/zinc/44/35/81/854443581.db2.gz IPKBUFJIPNCYOA-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673330 854443583 /nfs/dbraw/zinc/44/35/83/854443583.db2.gz IPKBUFJIPNCYOA-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP CC#CC[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100935409 855241889 /nfs/dbraw/zinc/24/18/89/855241889.db2.gz WMZOETRLABNCLJ-UHFFFAOYSA-N 2 2 288.395 0.860 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102613950 855449999 /nfs/dbraw/zinc/44/99/99/855449999.db2.gz DIAIKELTXBXVDI-CHWSQXEVSA-N 2 2 262.357 0.753 20 30 CCEDLP C=CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102613950 855450002 /nfs/dbraw/zinc/45/00/02/855450002.db2.gz DIAIKELTXBXVDI-CHWSQXEVSA-N 2 2 262.357 0.753 20 30 CCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190262 855651168 /nfs/dbraw/zinc/65/11/68/855651168.db2.gz MMXMHVRMCXBXBO-NHAGDIPZSA-N 2 2 274.368 0.585 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190262 855651172 /nfs/dbraw/zinc/65/11/72/855651172.db2.gz MMXMHVRMCXBXBO-NHAGDIPZSA-N 2 2 274.368 0.585 20 30 CCEDLP C#CC[N@@H+](C[C@H](O)CC)C1CC[NH+](C[C@H](O)CC)CC1 ZINC001119267378 856605564 /nfs/dbraw/zinc/60/55/64/856605564.db2.gz XXPSESPDWQDFNZ-HZPDHXFCSA-N 2 2 282.428 0.928 20 30 CCEDLP C#CC[N@H+](C[C@H](O)CC)C1CC[NH+](C[C@H](O)CC)CC1 ZINC001119267378 856605567 /nfs/dbraw/zinc/60/55/67/856605567.db2.gz XXPSESPDWQDFNZ-HZPDHXFCSA-N 2 2 282.428 0.928 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H](F)CC ZINC001480875351 891499953 /nfs/dbraw/zinc/49/99/53/891499953.db2.gz QFWUBHHUNBBOHG-KBPBESRZSA-N 2 2 283.391 0.880 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H](F)CC ZINC001480875351 891499956 /nfs/dbraw/zinc/49/99/56/891499956.db2.gz QFWUBHHUNBBOHG-KBPBESRZSA-N 2 2 283.391 0.880 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H](F)CC ZINC001480875351 891499961 /nfs/dbraw/zinc/49/99/61/891499961.db2.gz QFWUBHHUNBBOHG-KBPBESRZSA-N 2 2 283.391 0.880 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@@H](F)CC ZINC001480875351 891499967 /nfs/dbraw/zinc/49/99/67/891499967.db2.gz QFWUBHHUNBBOHG-KBPBESRZSA-N 2 2 283.391 0.880 20 30 CCEDLP CC#CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001267336623 891878433 /nfs/dbraw/zinc/87/84/33/891878433.db2.gz UDHXREXZTRNRAX-UHFFFAOYSA-N 2 2 274.368 0.567 20 30 CCEDLP CC#CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001267336623 891878447 /nfs/dbraw/zinc/87/84/47/891878447.db2.gz UDHXREXZTRNRAX-UHFFFAOYSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CCC[N@H+](CC)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001480979253 892008506 /nfs/dbraw/zinc/00/85/06/892008506.db2.gz BQKZFGOSPUWDOP-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP C#CCC[N@@H+](CC)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001480979253 892008524 /nfs/dbraw/zinc/00/85/24/892008524.db2.gz BQKZFGOSPUWDOP-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP C#CCC[N@H+](CC)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001480979253 892008538 /nfs/dbraw/zinc/00/85/38/892008538.db2.gz BQKZFGOSPUWDOP-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP C#CCC[N@@H+](CC)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001480979253 892008556 /nfs/dbraw/zinc/00/85/56/892008556.db2.gz BQKZFGOSPUWDOP-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481564017 892836199 /nfs/dbraw/zinc/83/61/99/892836199.db2.gz BGGTYPJDXUMVQA-UHFFFAOYSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCOCC[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001481564017 892836214 /nfs/dbraw/zinc/83/62/14/892836214.db2.gz BGGTYPJDXUMVQA-UHFFFAOYSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483354946 895491497 /nfs/dbraw/zinc/49/14/97/895491497.db2.gz DRSUXNQPTPFASS-OLZOCXBDSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483354946 895491504 /nfs/dbraw/zinc/49/15/04/895491504.db2.gz DRSUXNQPTPFASS-OLZOCXBDSA-N 2 2 274.368 0.515 20 30 CCEDLP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001272341123 895876672 /nfs/dbraw/zinc/87/66/72/895876672.db2.gz ABWAGZYUAZLSHV-OLZOCXBDSA-N 2 2 262.357 0.944 20 30 CCEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001485699425 897196103 /nfs/dbraw/zinc/19/61/03/897196103.db2.gz RZRZEXVNNDKSPV-JHJVBQTASA-N 2 2 274.368 0.706 20 30 CCEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001485699425 897196107 /nfs/dbraw/zinc/19/61/07/897196107.db2.gz RZRZEXVNNDKSPV-JHJVBQTASA-N 2 2 274.368 0.706 20 30 CCEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485815061 897277967 /nfs/dbraw/zinc/27/79/67/897277967.db2.gz YHSYJWYJTLXSBB-UMVBOHGHSA-N 2 2 286.379 0.973 20 30 CCEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485815061 897277982 /nfs/dbraw/zinc/27/79/82/897277982.db2.gz YHSYJWYJTLXSBB-UMVBOHGHSA-N 2 2 286.379 0.973 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032445168 897583097 /nfs/dbraw/zinc/58/30/97/897583097.db2.gz XRJAYYMLKXMDBS-IHRRRGAJSA-N 2 2 261.369 0.245 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001032445168 897583111 /nfs/dbraw/zinc/58/31/11/897583111.db2.gz XRJAYYMLKXMDBS-IHRRRGAJSA-N 2 2 261.369 0.245 20 30 CCEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001032477788 897623375 /nfs/dbraw/zinc/62/33/75/897623375.db2.gz QCDOAWDMQKPFRG-MELADBBJSA-N 2 2 263.385 0.942 20 30 CCEDLP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001032477788 897623382 /nfs/dbraw/zinc/62/33/82/897623382.db2.gz QCDOAWDMQKPFRG-MELADBBJSA-N 2 2 263.385 0.942 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001032477788 897623393 /nfs/dbraw/zinc/62/33/93/897623393.db2.gz QCDOAWDMQKPFRG-MELADBBJSA-N 2 2 263.385 0.942 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001032477788 897623402 /nfs/dbraw/zinc/62/34/02/897623402.db2.gz QCDOAWDMQKPFRG-MELADBBJSA-N 2 2 263.385 0.942 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032626445 897846008 /nfs/dbraw/zinc/84/60/08/897846008.db2.gz GCENSBRHJBEAFD-ILXRZTDVSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC[C@H]1C ZINC001032626445 897846019 /nfs/dbraw/zinc/84/60/19/897846019.db2.gz GCENSBRHJBEAFD-ILXRZTDVSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001032626445 897846023 /nfs/dbraw/zinc/84/60/23/897846023.db2.gz GCENSBRHJBEAFD-ILXRZTDVSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001032626445 897846027 /nfs/dbraw/zinc/84/60/27/897846027.db2.gz GCENSBRHJBEAFD-ILXRZTDVSA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032633634 897855832 /nfs/dbraw/zinc/85/58/32/897855832.db2.gz SMYZVPUSWQBGIQ-IHRRRGAJSA-N 2 2 263.385 0.635 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032633634 897855838 /nfs/dbraw/zinc/85/58/38/897855838.db2.gz SMYZVPUSWQBGIQ-IHRRRGAJSA-N 2 2 263.385 0.635 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018048 898184046 /nfs/dbraw/zinc/18/40/46/898184046.db2.gz LAWANNRDGRAUJW-TZMCWYRMSA-N 2 2 290.367 0.109 20 30 CCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001078018048 898184054 /nfs/dbraw/zinc/18/40/54/898184054.db2.gz LAWANNRDGRAUJW-TZMCWYRMSA-N 2 2 290.367 0.109 20 30 CCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270604 898321502 /nfs/dbraw/zinc/32/15/02/898321502.db2.gz HAHWHKKBSBYSNM-CHWSQXEVSA-N 2 2 278.356 0.011 20 30 CCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270604 898321517 /nfs/dbraw/zinc/32/15/17/898321517.db2.gz HAHWHKKBSBYSNM-CHWSQXEVSA-N 2 2 278.356 0.011 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201720518 900266489 /nfs/dbraw/zinc/26/64/89/900266489.db2.gz RSOIMCXZXRKBAC-CYBMUJFWSA-N 2 2 290.367 0.183 20 30 CCEDLP C=CC[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001491134517 903397299 /nfs/dbraw/zinc/39/72/99/903397299.db2.gz WIAHHRBGCZOGKG-CYBMUJFWSA-N 2 2 262.357 0.897 20 30 CCEDLP C=CC[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001491134517 903397310 /nfs/dbraw/zinc/39/73/10/903397310.db2.gz WIAHHRBGCZOGKG-CYBMUJFWSA-N 2 2 262.357 0.897 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001281734158 904340703 /nfs/dbraw/zinc/34/07/03/904340703.db2.gz NYCNHXQPTHMAPR-ZDUSSCGKSA-N 2 2 276.384 0.860 20 30 CCEDLP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001283556224 904906849 /nfs/dbraw/zinc/90/68/49/904906849.db2.gz ZKURMIFBSREPFS-AWEZNQCLSA-N 2 2 276.384 0.975 20 30 CCEDLP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317352406 908179167 /nfs/dbraw/zinc/17/91/67/908179167.db2.gz DKIFOEWONUMESE-QWHCGFSZSA-N 2 2 274.368 0.993 20 30 CCEDLP C=CC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001317030091 908930781 /nfs/dbraw/zinc/93/07/81/908930781.db2.gz YXJIOXBKFYWMIX-CYBMUJFWSA-N 2 2 262.357 0.931 20 30 CCEDLP C=CCC[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001317282288 909113130 /nfs/dbraw/zinc/11/31/30/909113130.db2.gz BLBIGUNCQPOZPV-JTQLQIEISA-N 2 2 250.346 0.931 20 30 CCEDLP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317855240 909529222 /nfs/dbraw/zinc/52/92/22/909529222.db2.gz WKNNUCZDVPFEPK-LBPRGKRZSA-N 2 2 262.357 0.919 20 30 CCEDLP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317855240 909529230 /nfs/dbraw/zinc/52/92/30/909529230.db2.gz WKNNUCZDVPFEPK-LBPRGKRZSA-N 2 2 262.357 0.919 20 30 CCEDLP C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC001318433287 909756324 /nfs/dbraw/zinc/75/63/24/909756324.db2.gz GSDQAPXKVOHQAH-NSHDSACASA-N 2 2 261.329 0.548 20 30 CCEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001401621040 916398023 /nfs/dbraw/zinc/39/80/23/916398023.db2.gz WOVGOYNLSQWZDJ-MNOVXSKESA-N 2 2 275.780 0.164 20 30 CCEDLP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001401621040 916398041 /nfs/dbraw/zinc/39/80/41/916398041.db2.gz WOVGOYNLSQWZDJ-MNOVXSKESA-N 2 2 275.780 0.164 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001331485184 917366702 /nfs/dbraw/zinc/36/67/02/917366702.db2.gz ACJGNWIGPJSTNR-KBPBESRZSA-N 2 2 288.395 0.905 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001331490966 917372050 /nfs/dbraw/zinc/37/20/50/917372050.db2.gz HVFMTHWGFDTJSX-KBPBESRZSA-N 2 2 288.395 0.905 20 30 CCEDLP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001331737716 917563796 /nfs/dbraw/zinc/56/37/96/917563796.db2.gz BUPLWDHLVMGURK-CHWSQXEVSA-N 2 2 292.383 0.088 20 30 CCEDLP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332063194 917834562 /nfs/dbraw/zinc/83/45/62/917834562.db2.gz FTCRMOLCXPUECN-KBPBESRZSA-N 2 2 292.383 0.665 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC001336783249 921006509 /nfs/dbraw/zinc/00/65/09/921006509.db2.gz HKOMBXNWKVTQGB-INIZCTEOSA-N 2 2 294.439 0.977 20 30 CCEDLP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001340838252 922233664 /nfs/dbraw/zinc/23/36/64/922233664.db2.gz HYBNHRPEKQTDAE-CHWSQXEVSA-N 2 2 269.389 0.507 20 30 CCEDLP C#CC[NH2+]CC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC001353561038 925873152 /nfs/dbraw/zinc/87/31/52/925873152.db2.gz SERSIGKZBKEQDT-UHFFFAOYSA-N 2 2 260.341 0.531 20 30 CCEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC#N)CC2)CC1 ZINC001451677662 931469991 /nfs/dbraw/zinc/46/99/91/931469991.db2.gz SZWADHZIMDENKR-UHFFFAOYSA-N 2 2 278.400 0.919 20 30 CCEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC#N)CC2)CC1 ZINC001451677662 931469995 /nfs/dbraw/zinc/46/99/95/931469995.db2.gz SZWADHZIMDENKR-UHFFFAOYSA-N 2 2 278.400 0.919 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000783531674 581348688 /nfs/dbraw/zinc/34/86/88/581348688.db2.gz KJOZYNBISPPCNA-VXGBXAGGSA-N 2 2 260.403 0.660 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000783531674 581348685 /nfs/dbraw/zinc/34/86/85/581348685.db2.gz KJOZYNBISPPCNA-VXGBXAGGSA-N 2 2 260.403 0.660 20 30 CCEDLP C[C@H](CCC#N)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000602528040 362658869 /nfs/dbraw/zinc/65/88/69/362658869.db2.gz LZSFOUCUVSTVGO-GFCCVEGCSA-N 2 2 252.362 0.290 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602784612 362799068 /nfs/dbraw/zinc/79/90/68/362799068.db2.gz HVLBJONFEOXCAZ-CQSZACIVSA-N 2 2 290.411 0.919 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602784612 362799072 /nfs/dbraw/zinc/79/90/72/362799072.db2.gz HVLBJONFEOXCAZ-CQSZACIVSA-N 2 2 290.411 0.919 20 30 CCEDLP COc1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)ccc1C#N ZINC000234923971 352178410 /nfs/dbraw/zinc/17/84/10/352178410.db2.gz PBFZPLIUNBFKNO-HNNXBMFYSA-N 2 2 288.395 0.902 20 30 CCEDLP COc1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)ccc1C#N ZINC000234923971 352178413 /nfs/dbraw/zinc/17/84/13/352178413.db2.gz PBFZPLIUNBFKNO-HNNXBMFYSA-N 2 2 288.395 0.902 20 30 CCEDLP C[NH+](C)CCCN1C(=O)C[C@@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000610259286 363546304 /nfs/dbraw/zinc/54/63/04/363546304.db2.gz HBASDYZYSNKPSM-CYBMUJFWSA-N 2 2 292.383 0.301 20 30 CCEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000619719306 366340052 /nfs/dbraw/zinc/34/00/52/366340052.db2.gz LDRRSSCKBBISHS-ZDUSSCGKSA-N 2 2 297.399 0.104 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](COCC)C2)CC1 ZINC000490781089 358291482 /nfs/dbraw/zinc/29/14/82/358291482.db2.gz VVLXJXQEAYBPJP-OAHLLOKOSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](COCC)C2)CC1 ZINC000490781089 358291484 /nfs/dbraw/zinc/29/14/84/358291484.db2.gz VVLXJXQEAYBPJP-OAHLLOKOSA-N 2 2 293.411 0.122 20 30 CCEDLP C[NH+](C)C[C@@](C)(C#N)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000563220842 358557030 /nfs/dbraw/zinc/55/70/30/358557030.db2.gz WMXUAFLDOUXVRQ-OAHLLOKOSA-N 2 2 298.350 0.841 20 30 CCEDLP C[C@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]1CCC[C@@H](C)C1 ZINC000572149167 358927692 /nfs/dbraw/zinc/92/76/92/358927692.db2.gz YCEMEHPEYXXFQC-OAGGEKHMSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC[C@@H](C)C1 ZINC000572149167 358927698 /nfs/dbraw/zinc/92/76/98/358927698.db2.gz YCEMEHPEYXXFQC-OAGGEKHMSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@H](CNC[C@H](O)C[NH+](C)CCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000572149167 358927703 /nfs/dbraw/zinc/92/77/03/358927703.db2.gz YCEMEHPEYXXFQC-OAGGEKHMSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@H](CNC[C@H](O)C[NH+](C)CCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000572149167 358927708 /nfs/dbraw/zinc/92/77/08/358927708.db2.gz YCEMEHPEYXXFQC-OAGGEKHMSA-N 2 2 296.459 0.903 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1[nH+]ccn1CC ZINC000297022571 200064523 /nfs/dbraw/zinc/06/45/23/200064523.db2.gz VKOYBXOTZOJRCH-UHFFFAOYSA-N 2 2 277.372 0.657 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)NCc1[nH+]ccn1CC ZINC000297022571 200064524 /nfs/dbraw/zinc/06/45/24/200064524.db2.gz VKOYBXOTZOJRCH-UHFFFAOYSA-N 2 2 277.372 0.657 20 30 CCEDLP N#Cc1cnn2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cnc12 ZINC000592500780 359862014 /nfs/dbraw/zinc/86/20/14/359862014.db2.gz SFWVGYKWEGIXAH-BETUJISGSA-N 2 2 268.324 0.252 20 30 CCEDLP N#Cc1cnn2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cnc12 ZINC000592500780 359862017 /nfs/dbraw/zinc/86/20/17/359862017.db2.gz SFWVGYKWEGIXAH-BETUJISGSA-N 2 2 268.324 0.252 20 30 CCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440534 360310447 /nfs/dbraw/zinc/31/04/47/360310447.db2.gz DZLYEUXWWQWVAG-CHWSQXEVSA-N 2 2 282.388 0.235 20 30 CCEDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(C#N)CCCCC1 ZINC000595943926 360721587 /nfs/dbraw/zinc/72/15/87/360721587.db2.gz PSKTWVQRRBIYOH-GFCCVEGCSA-N 2 2 266.389 0.856 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)CO1 ZINC000595940978 360717838 /nfs/dbraw/zinc/71/78/38/360717838.db2.gz XMRVFSHDQOPNRR-YNEHKIRRSA-N 2 2 282.388 0.233 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)CO1 ZINC000595940978 360717843 /nfs/dbraw/zinc/71/78/43/360717843.db2.gz XMRVFSHDQOPNRR-YNEHKIRRSA-N 2 2 282.388 0.233 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC000596453459 360899364 /nfs/dbraw/zinc/89/93/64/360899364.db2.gz KDRMSWLWMZEZCD-UHFFFAOYSA-N 2 2 277.372 0.500 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC000596453459 360899369 /nfs/dbraw/zinc/89/93/69/360899369.db2.gz KDRMSWLWMZEZCD-UHFFFAOYSA-N 2 2 277.372 0.500 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000490739735 261196880 /nfs/dbraw/zinc/19/68/80/261196880.db2.gz GOCDBBMGCQPWRM-HNNXBMFYSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CC)C2)CC1 ZINC000490739735 261196882 /nfs/dbraw/zinc/19/68/82/261196882.db2.gz GOCDBBMGCQPWRM-HNNXBMFYSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@@H](C)S[C@H](C)C2)CC1 ZINC000490761176 261202882 /nfs/dbraw/zinc/20/28/82/261202882.db2.gz RSCHUWIPXWIIIR-ZIAGYGMSSA-N 2 2 295.452 0.590 20 30 CCEDLP C=CCC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059060 376221574 /nfs/dbraw/zinc/22/15/74/376221574.db2.gz PEFTUEGPXCYLGZ-CYBMUJFWSA-N 2 2 269.389 0.019 20 30 CCEDLP C=CCC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059060 376221584 /nfs/dbraw/zinc/22/15/84/376221584.db2.gz PEFTUEGPXCYLGZ-CYBMUJFWSA-N 2 2 269.389 0.019 20 30 CCEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000305724943 389088079 /nfs/dbraw/zinc/08/80/79/389088079.db2.gz LFEQUHRWXKNING-HUUCEWRRSA-N 2 2 295.427 0.728 20 30 CCEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000305724943 389088081 /nfs/dbraw/zinc/08/80/81/389088081.db2.gz LFEQUHRWXKNING-HUUCEWRRSA-N 2 2 295.427 0.728 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201046 389119687 /nfs/dbraw/zinc/11/96/87/389119687.db2.gz BQPZEQMNGWSFIW-LSDHHAIUSA-N 2 2 293.411 0.169 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201046 389119690 /nfs/dbraw/zinc/11/96/90/389119690.db2.gz BQPZEQMNGWSFIW-LSDHHAIUSA-N 2 2 293.411 0.169 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245454034 389208477 /nfs/dbraw/zinc/20/84/77/389208477.db2.gz RPORWEIKAIFWEY-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245454034 389208482 /nfs/dbraw/zinc/20/84/82/389208482.db2.gz RPORWEIKAIFWEY-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245454034 389208483 /nfs/dbraw/zinc/20/84/83/389208483.db2.gz RPORWEIKAIFWEY-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245454034 389208487 /nfs/dbraw/zinc/20/84/87/389208487.db2.gz RPORWEIKAIFWEY-OLZOCXBDSA-N 2 2 253.390 0.951 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261965271 389278690 /nfs/dbraw/zinc/27/86/90/389278690.db2.gz LGODPCLSUZOJQD-TZMCWYRMSA-N 3 2 290.415 0.531 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261965271 389278692 /nfs/dbraw/zinc/27/86/92/389278692.db2.gz LGODPCLSUZOJQD-TZMCWYRMSA-N 3 2 290.415 0.531 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCC(O)CC1 ZINC000262824506 389295636 /nfs/dbraw/zinc/29/56/36/389295636.db2.gz XVRKNXFPOCWEMD-UHFFFAOYSA-N 2 2 294.403 0.018 20 30 CCEDLP C[NH+]=C(NCc1ccoc1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176316218 389556532 /nfs/dbraw/zinc/55/65/32/389556532.db2.gz ZPUWCLGXUPIXRI-GFCCVEGCSA-N 2 2 266.345 0.275 20 30 CCEDLP C[NH+]=C(NCc1ccoc1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176316218 389556535 /nfs/dbraw/zinc/55/65/35/389556535.db2.gz ZPUWCLGXUPIXRI-GFCCVEGCSA-N 2 2 266.345 0.275 20 30 CCEDLP C=CC[C@@H](CO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414371533 389613538 /nfs/dbraw/zinc/61/35/38/389613538.db2.gz YNRPYOAJLHCOOM-LLVKDONJSA-N 2 2 252.362 0.760 20 30 CCEDLP C=CCC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000351602204 389628668 /nfs/dbraw/zinc/62/86/68/389628668.db2.gz XTJYOFUQXCVUEV-CYBMUJFWSA-N 2 2 264.373 0.854 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420363396 389992553 /nfs/dbraw/zinc/99/25/53/389992553.db2.gz IAFIJFRJIBCHPB-IUODEOHRSA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420363396 389992554 /nfs/dbraw/zinc/99/25/54/389992554.db2.gz IAFIJFRJIBCHPB-IUODEOHRSA-N 2 2 294.399 0.462 20 30 CCEDLP C#C[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000491743781 390116442 /nfs/dbraw/zinc/11/64/42/390116442.db2.gz MSUIIVNGJMQLIY-KBXIAJHMSA-N 2 2 268.401 0.704 20 30 CCEDLP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000565712603 390537728 /nfs/dbraw/zinc/53/77/28/390537728.db2.gz SNRAFTOBJONIGJ-CYBMUJFWSA-N 2 2 277.372 0.184 20 30 CCEDLP COCC#CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105685 390598959 /nfs/dbraw/zinc/59/89/59/390598959.db2.gz CPDADPSJOAMEOJ-UHFFFAOYSA-N 2 2 252.358 0.433 20 30 CCEDLP COCC#CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105685 390598962 /nfs/dbraw/zinc/59/89/62/390598962.db2.gz CPDADPSJOAMEOJ-UHFFFAOYSA-N 2 2 252.358 0.433 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569716035 390716199 /nfs/dbraw/zinc/71/61/99/390716199.db2.gz ZSWYVETWPZPDPZ-KFWWJZLASA-N 2 2 280.416 0.409 20 30 CCEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569716035 390716202 /nfs/dbraw/zinc/71/62/02/390716202.db2.gz ZSWYVETWPZPDPZ-KFWWJZLASA-N 2 2 280.416 0.409 20 30 CCEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000569716035 390716204 /nfs/dbraw/zinc/71/62/04/390716204.db2.gz ZSWYVETWPZPDPZ-KFWWJZLASA-N 2 2 280.416 0.409 20 30 CCEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000569716035 390716206 /nfs/dbraw/zinc/71/62/06/390716206.db2.gz ZSWYVETWPZPDPZ-KFWWJZLASA-N 2 2 280.416 0.409 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000569716035 390716209 /nfs/dbraw/zinc/71/62/09/390716209.db2.gz ZSWYVETWPZPDPZ-KFWWJZLASA-N 2 2 280.416 0.409 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000569716035 390716211 /nfs/dbraw/zinc/71/62/11/390716211.db2.gz ZSWYVETWPZPDPZ-KFWWJZLASA-N 2 2 280.416 0.409 20 30 CCEDLP Cc1cc(C#N)cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000578225259 390871782 /nfs/dbraw/zinc/87/17/82/390871782.db2.gz UEELFGALXFWSOW-CQSZACIVSA-N 2 2 287.367 0.973 20 30 CCEDLP Cc1cc(C#N)cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000578225259 390871783 /nfs/dbraw/zinc/87/17/83/390871783.db2.gz UEELFGALXFWSOW-CQSZACIVSA-N 2 2 287.367 0.973 20 30 CCEDLP CO[C@H]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[N@H+](C)C1 ZINC000329000387 533282189 /nfs/dbraw/zinc/28/21/89/533282189.db2.gz GQKUFYUNOYQENF-UWVGGRQHSA-N 2 2 252.318 0.628 20 30 CCEDLP CO[C@H]1C[C@@H](C(=O)NCCc2[nH]cc[nH+]2)[N@@H+](C)C1 ZINC000329000387 533282192 /nfs/dbraw/zinc/28/21/92/533282192.db2.gz GQKUFYUNOYQENF-UWVGGRQHSA-N 2 2 252.318 0.628 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320510 414709397 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CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174452 260152992 /nfs/dbraw/zinc/15/29/92/260152992.db2.gz DFZXSVYPSDWXMD-GHMZBOCLSA-N 2 2 268.361 0.057 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CC[NH+]1CCC(C)CC1 ZINC000491788618 262052806 /nfs/dbraw/zinc/05/28/06/262052806.db2.gz XXNQYEIIIXCRQX-UHFFFAOYSA-N 2 2 251.374 0.447 20 30 CCEDLP C=CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232211 262188476 /nfs/dbraw/zinc/18/84/76/262188476.db2.gz WPGGIHLXVTUXBO-LBPRGKRZSA-N 2 2 266.389 0.640 20 30 CCEDLP C=CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232211 262188478 /nfs/dbraw/zinc/18/84/78/262188478.db2.gz WPGGIHLXVTUXBO-LBPRGKRZSA-N 2 2 266.389 0.640 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365377809 262362602 /nfs/dbraw/zinc/36/26/02/262362602.db2.gz IRCIHNKRARJGTM-STQMWFEESA-N 2 2 251.374 0.540 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365377809 262362604 /nfs/dbraw/zinc/36/26/04/262362604.db2.gz IRCIHNKRARJGTM-STQMWFEESA-N 2 2 251.374 0.540 20 30 CCEDLP CCNC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331249114 264180499 /nfs/dbraw/zinc/18/04/99/264180499.db2.gz XULBMZHIBZOMIQ-LLVKDONJSA-N 2 2 294.403 0.584 20 30 CCEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@H]1CC[NH+](C2CCCC2)C1 ZINC000518964067 265251319 /nfs/dbraw/zinc/25/13/19/265251319.db2.gz YHAHEYVJOSTVCX-GOEBONIOSA-N 2 2 294.443 0.799 20 30 CCEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@H]1CC[NH+](C2CCCC2)C1 ZINC000518964067 265251323 /nfs/dbraw/zinc/25/13/23/265251323.db2.gz YHAHEYVJOSTVCX-GOEBONIOSA-N 2 2 294.443 0.799 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518964067 265251325 /nfs/dbraw/zinc/25/13/25/265251325.db2.gz YHAHEYVJOSTVCX-GOEBONIOSA-N 2 2 294.443 0.799 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000518964067 265251327 /nfs/dbraw/zinc/25/13/27/265251327.db2.gz YHAHEYVJOSTVCX-GOEBONIOSA-N 2 2 294.443 0.799 20 30 CCEDLP C[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330299517 277047420 /nfs/dbraw/zinc/04/74/20/277047420.db2.gz MJKYHZKWUIYKRU-LBPRGKRZSA-N 2 2 277.372 0.749 20 30 CCEDLP C[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330299517 277047421 /nfs/dbraw/zinc/04/74/21/277047421.db2.gz MJKYHZKWUIYKRU-LBPRGKRZSA-N 2 2 277.372 0.749 20 30 CCEDLP N#CCNC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535577392 328594249 /nfs/dbraw/zinc/59/42/49/328594249.db2.gz VKQOBXFCNNJIIZ-UHFFFAOYSA-N 2 2 273.340 0.598 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261592691 327112410 /nfs/dbraw/zinc/11/24/10/327112410.db2.gz MNCQFSZVCKEEBE-ZIAGYGMSSA-N 2 2 263.385 0.871 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261592691 327112412 /nfs/dbraw/zinc/11/24/12/327112412.db2.gz MNCQFSZVCKEEBE-ZIAGYGMSSA-N 2 2 263.385 0.871 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCC1)NCc1c(C)noc1C ZINC000261971776 329992672 /nfs/dbraw/zinc/99/26/72/329992672.db2.gz 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20 30 CCEDLP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001006929524 623578431 /nfs/dbraw/zinc/57/84/31/623578431.db2.gz VWMVAUAUIMDXJT-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCF)C1 ZINC001027446592 625887282 /nfs/dbraw/zinc/88/72/82/625887282.db2.gz OTKQVEKSLXGOFI-CABCVRRESA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCF)C1 ZINC001027446592 625887288 /nfs/dbraw/zinc/88/72/88/625887288.db2.gz OTKQVEKSLXGOFI-CABCVRRESA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCF)C1 ZINC001027446592 625887290 /nfs/dbraw/zinc/88/72/90/625887290.db2.gz OTKQVEKSLXGOFI-CABCVRRESA-N 2 2 295.402 0.976 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001027503947 625925623 /nfs/dbraw/zinc/92/56/23/625925623.db2.gz ZVZNNDHKVMWMBM-AWEZNQCLSA-N 2 2 288.395 0.909 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001027503947 625925632 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C#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC000986602375 632778142 /nfs/dbraw/zinc/77/81/42/632778142.db2.gz PBPLQHHYXMHYBP-OLZOCXBDSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000986628188 632783804 /nfs/dbraw/zinc/78/38/04/632783804.db2.gz JPKAUJHWMWWVMA-CHWSQXEVSA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000986628192 632783920 /nfs/dbraw/zinc/78/39/20/632783920.db2.gz JPKAUJHWMWWVMA-STQMWFEESA-N 2 2 260.341 0.485 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007774001 650094023 /nfs/dbraw/zinc/09/40/23/650094023.db2.gz HUMVYZCPDVLOKW-CQSZACIVSA-N 2 2 275.396 0.829 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001007774001 650094024 /nfs/dbraw/zinc/09/40/24/650094024.db2.gz HUMVYZCPDVLOKW-CQSZACIVSA-N 2 2 275.396 0.829 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000995890802 638804656 /nfs/dbraw/zinc/80/46/56/638804656.db2.gz ICMZWGVUIPKMTH-CYBMUJFWSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000995890802 638804657 /nfs/dbraw/zinc/80/46/57/638804657.db2.gz ICMZWGVUIPKMTH-CYBMUJFWSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997085878 638851721 /nfs/dbraw/zinc/85/17/21/638851721.db2.gz RWXCHOIPXMQANT-GFCCVEGCSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997085878 638851722 /nfs/dbraw/zinc/85/17/22/638851722.db2.gz RWXCHOIPXMQANT-GFCCVEGCSA-N 2 2 274.368 0.802 20 30 CCEDLP C=CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999687660 638992935 /nfs/dbraw/zinc/99/29/35/638992935.db2.gz FKXIAFXLOPFKMF-UHFFFAOYSA-N 2 2 262.357 0.728 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001014727489 650482333 /nfs/dbraw/zinc/48/23/33/650482333.db2.gz IMKSYYJACJXVNJ-OLZOCXBDSA-N 2 2 272.352 0.584 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001014727489 650482336 /nfs/dbraw/zinc/48/23/36/650482336.db2.gz IMKSYYJACJXVNJ-OLZOCXBDSA-N 2 2 272.352 0.584 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014989599 650511926 /nfs/dbraw/zinc/51/19/26/650511926.db2.gz IPGAFKCNFJMDCC-KBPBESRZSA-N 2 2 286.379 0.659 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014989599 650511930 /nfs/dbraw/zinc/51/19/30/650511930.db2.gz IPGAFKCNFJMDCC-KBPBESRZSA-N 2 2 286.379 0.659 20 30 CCEDLP N#Cc1ccc([C@H](O)C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000923411598 640126991 /nfs/dbraw/zinc/12/69/91/640126991.db2.gz CVTOEHUTDNIWFA-MRXNPFEDSA-N 2 2 289.379 0.638 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001015723265 650616932 /nfs/dbraw/zinc/61/69/32/650616932.db2.gz OZNYJGACWIORMZ-YNEHKIRRSA-N 2 2 274.368 0.900 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001015723265 650616937 /nfs/dbraw/zinc/61/69/37/650616937.db2.gz OZNYJGACWIORMZ-YNEHKIRRSA-N 2 2 274.368 0.900 20 30 CCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016002268 650673876 /nfs/dbraw/zinc/67/38/76/650673876.db2.gz SZCSACWQLYVCMG-GFCCVEGCSA-N 2 2 262.357 0.729 20 30 CCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016002268 650673878 /nfs/dbraw/zinc/67/38/78/650673878.db2.gz SZCSACWQLYVCMG-GFCCVEGCSA-N 2 2 262.357 0.729 20 30 CCEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001016304451 650714390 /nfs/dbraw/zinc/71/43/90/650714390.db2.gz HMLNHXQMOALUIC-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001016304451 650714394 /nfs/dbraw/zinc/71/43/94/650714394.db2.gz HMLNHXQMOALUIC-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016304451 650714397 /nfs/dbraw/zinc/71/43/97/650714397.db2.gz HMLNHXQMOALUIC-CHWSQXEVSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001016304451 650714402 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CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266948068 791382900 /nfs/dbraw/zinc/38/29/00/791382900.db2.gz CCGVSEDIBLFNDP-QJPTWQEYSA-N 2 2 260.341 0.631 20 30 CCEDLP C#CC[NH2+][C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001266948490 791384199 /nfs/dbraw/zinc/38/41/99/791384199.db2.gz JHRJDXWWUGDGNN-SNVBAGLBSA-N 2 2 264.329 0.077 20 30 CCEDLP N#Cc1ccn2ncc(C[N@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])c2c1 ZINC001236001857 806528674 /nfs/dbraw/zinc/52/86/74/806528674.db2.gz LEOIGRCBYAYHEY-MZBDJJRSSA-N 2 2 297.362 0.611 20 30 CCEDLP N#Cc1ccn2ncc(C[N@@H+]3C[C@H]4COC[C@@H](C3)C4[NH3+])c2c1 ZINC001236001857 806528678 /nfs/dbraw/zinc/52/86/78/806528678.db2.gz LEOIGRCBYAYHEY-MZBDJJRSSA-N 2 2 297.362 0.611 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371157 800332587 /nfs/dbraw/zinc/33/25/87/800332587.db2.gz GQGRRKMBXPWHED-ZDUSSCGKSA-N 2 2 278.356 0.345 20 30 CCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371157 800332593 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Cc1[nH+]c2c(n1-c1cncc(CC#N)n1)CC[NH2+]CC2 ZINC001165355299 802825926 /nfs/dbraw/zinc/82/59/26/802825926.db2.gz RRLDYIHVNJNYCZ-UHFFFAOYSA-N 2 2 268.324 0.725 20 30 CCEDLP COC(=O)C1([NH3+])CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001166797685 802962590 /nfs/dbraw/zinc/96/25/90/802962590.db2.gz WRMUCQAGFWKMOV-UHFFFAOYSA-N 2 2 299.334 0.905 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241752 803686914 /nfs/dbraw/zinc/68/69/14/803686914.db2.gz MRLFOELJAMHNRO-ZIAGYGMSSA-N 2 2 290.367 0.112 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241752 803686916 /nfs/dbraw/zinc/68/69/16/803686916.db2.gz MRLFOELJAMHNRO-ZIAGYGMSSA-N 2 2 290.367 0.112 20 30 CCEDLP COc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1C#N ZINC001218977373 804171040 /nfs/dbraw/zinc/17/10/40/804171040.db2.gz AKEUODOVDUIBAF-UWVGGRQHSA-N 2 2 260.297 0.052 20 30 CCEDLP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001219112520 804203825 /nfs/dbraw/zinc/20/38/25/804203825.db2.gz KHKINLDIMKDNAY-JTQLQIEISA-N 2 2 250.277 0.620 20 30 CCEDLP CC(C)(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC001219989973 804466484 /nfs/dbraw/zinc/46/64/84/804466484.db2.gz WJDWVOLLXZFXFI-STQMWFEESA-N 2 2 272.352 0.456 20 30 CCEDLP N#C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001220094926 804497268 /nfs/dbraw/zinc/49/72/68/804497268.db2.gz NHSNPUQAULOSND-CKYFFXLPSA-N 2 2 261.329 0.478 20 30 CCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N/C=C/C(=O)C(F)(F)F ZINC001220343419 804579658 /nfs/dbraw/zinc/57/96/58/804579658.db2.gz NVWYGELRQRWINY-SGJFDWMWSA-N 2 2 290.245 0.051 20 30 CCEDLP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1F ZINC001220449189 804607244 /nfs/dbraw/zinc/60/72/44/804607244.db2.gz NVVPZWVNCMVZKM-ZDUSSCGKSA-N 2 2 287.298 0.607 20 30 CCEDLP CC(C)C[C@@](C)(C#N)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001221293057 804769141 /nfs/dbraw/zinc/76/91/41/804769141.db2.gz YPGBDEPLYVCOFO-JSGCOSHPSA-N 2 2 277.372 0.734 20 30 CCEDLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3[nH]ccc3C#N)[C@@H]2C1 ZINC001276840912 804935033 /nfs/dbraw/zinc/93/50/33/804935033.db2.gz YVUBJOCTKAGCEI-GOEBONIOSA-N 2 2 287.411 0.954 20 30 CCEDLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3[nH]ccc3C#N)[C@@H]2C1 ZINC001276840912 804935039 /nfs/dbraw/zinc/93/50/39/804935039.db2.gz YVUBJOCTKAGCEI-GOEBONIOSA-N 2 2 287.411 0.954 20 30 CCEDLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC)[NH+](C)C ZINC001276957204 805015736 /nfs/dbraw/zinc/01/57/36/805015736.db2.gz QUVWERMZRVXZLU-KBPBESRZSA-N 2 2 281.400 0.167 20 30 CCEDLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC)[NH+](C)C ZINC001276957204 805015745 /nfs/dbraw/zinc/01/57/45/805015745.db2.gz QUVWERMZRVXZLU-KBPBESRZSA-N 2 2 281.400 0.167 20 30 CCEDLP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001278390327 807060014 /nfs/dbraw/zinc/06/00/14/807060014.db2.gz GRVPBSQHOSKWHZ-UONOGXRCSA-N 2 2 288.395 0.955 20 30 CCEDLP C=CCC[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024151 807122541 /nfs/dbraw/zinc/12/25/41/807122541.db2.gz OXHYIHYPTXJHOJ-IHRRRGAJSA-N 2 2 253.390 0.339 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001251836346 807715425 /nfs/dbraw/zinc/71/54/25/807715425.db2.gz YKCLTTZMYNEMTP-GFCCVEGCSA-N 2 2 263.341 0.129 20 30 CCEDLP C[NH+]1CCN(c2ccc(C=[NH+]OCC(N)=O)cc2F)CC1 ZINC001254077130 808177080 /nfs/dbraw/zinc/17/70/80/808177080.db2.gz UMVDAQPOOKHROL-UHFFFAOYSA-N 2 2 294.330 0.413 20 30 CCEDLP N#C[C@@H]1C[NH2+]CCN1C1CC[NH+](Cc2ccncc2)CC1 ZINC001256589028 808538989 /nfs/dbraw/zinc/53/89/89/808538989.db2.gz PCXYUIPMTLDVID-MRXNPFEDSA-N 2 2 285.395 0.843 20 30 CCEDLP C=CCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC001261639089 809039725 /nfs/dbraw/zinc/03/97/25/809039725.db2.gz UZQLLLCHBAPUQS-KGLIPLIRSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC001261639089 809039727 /nfs/dbraw/zinc/03/97/27/809039727.db2.gz UZQLLLCHBAPUQS-KGLIPLIRSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC001261639089 809039734 /nfs/dbraw/zinc/03/97/34/809039734.db2.gz UZQLLLCHBAPUQS-KGLIPLIRSA-N 2 2 256.390 0.964 20 30 CCEDLP C=CCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC001261639089 809039742 /nfs/dbraw/zinc/03/97/42/809039742.db2.gz UZQLLLCHBAPUQS-KGLIPLIRSA-N 2 2 256.390 0.964 20 30 CCEDLP C=C(C)COCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262578641 809354263 /nfs/dbraw/zinc/35/42/63/809354263.db2.gz VLTQVZXSDOONEU-UHFFFAOYSA-N 2 2 284.404 0.301 20 30 CCEDLP C#C[C@H](CCC)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262591934 809363325 /nfs/dbraw/zinc/36/33/25/809363325.db2.gz BBAVTBMMYCWOIY-CYBMUJFWSA-N 2 2 266.389 0.511 20 30 CCEDLP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265792173 809854718 /nfs/dbraw/zinc/85/47/18/809854718.db2.gz JAZDTIOBFKIMMS-NWDGAFQWSA-N 2 2 260.341 0.173 20 30 CCEDLP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001267929482 811874879 /nfs/dbraw/zinc/87/48/79/811874879.db2.gz MFLGJEMFSHHIHW-JOCQHMNTSA-N 2 2 274.368 0.993 20 30 CCEDLP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267991630 811930096 /nfs/dbraw/zinc/93/00/96/811930096.db2.gz PWJGFVGKCSDGJD-OLZOCXBDSA-N 2 2 276.384 0.973 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001028146029 812312812 /nfs/dbraw/zinc/31/28/12/812312812.db2.gz SZMUJHHQRYNWLU-BFHYXJOUSA-N 2 2 286.379 0.737 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001028146029 812312818 /nfs/dbraw/zinc/31/28/18/812312818.db2.gz SZMUJHHQRYNWLU-BFHYXJOUSA-N 2 2 286.379 0.737 20 30 CCEDLP C=CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001268226973 812385239 /nfs/dbraw/zinc/38/52/39/812385239.db2.gz GEATWOXVXJKSKR-GFCCVEGCSA-N 2 2 250.346 0.800 20 30 CCEDLP CC#CC[NH2+]CCN(CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001279848940 812791817 /nfs/dbraw/zinc/79/18/17/812791817.db2.gz VYHAETZFIGKIMU-AWEZNQCLSA-N 2 2 292.383 0.268 20 30 CCEDLP CC#CC[NH2+]CCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001279848941 812792419 /nfs/dbraw/zinc/79/24/19/812792419.db2.gz VYHAETZFIGKIMU-CQSZACIVSA-N 2 2 292.383 0.268 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042386033 815566234 /nfs/dbraw/zinc/56/62/34/815566234.db2.gz ZJXMHNQYYIFBEN-HUUCEWRRSA-N 2 2 286.379 0.829 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042386033 815566235 /nfs/dbraw/zinc/56/62/35/815566235.db2.gz ZJXMHNQYYIFBEN-HUUCEWRRSA-N 2 2 286.379 0.829 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001269293216 813310787 /nfs/dbraw/zinc/31/07/87/813310787.db2.gz UBJXRYRPFBSAFW-OAHLLOKOSA-N 2 2 288.395 0.909 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001269293216 813310795 /nfs/dbraw/zinc/31/07/95/813310795.db2.gz UBJXRYRPFBSAFW-OAHLLOKOSA-N 2 2 288.395 0.909 20 30 CCEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001269639036 813458032 /nfs/dbraw/zinc/45/80/32/813458032.db2.gz SGQDXBGADCOPDF-OAHLLOKOSA-N 2 2 274.368 0.850 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001270701772 813898404 /nfs/dbraw/zinc/89/84/04/813898404.db2.gz YSGAFULDVJRGPC-AWEZNQCLSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001270701772 813898410 /nfs/dbraw/zinc/89/84/10/813898410.db2.gz YSGAFULDVJRGPC-AWEZNQCLSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001270701772 813898420 /nfs/dbraw/zinc/89/84/20/813898420.db2.gz YSGAFULDVJRGPC-AWEZNQCLSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001270701772 813898425 /nfs/dbraw/zinc/89/84/25/813898425.db2.gz YSGAFULDVJRGPC-AWEZNQCLSA-N 2 2 283.416 0.720 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001270988373 814109472 /nfs/dbraw/zinc/10/94/72/814109472.db2.gz SCWQMJCSYPVITE-LBPRGKRZSA-N 2 2 262.357 0.802 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001270988373 814109474 /nfs/dbraw/zinc/10/94/74/814109474.db2.gz SCWQMJCSYPVITE-LBPRGKRZSA-N 2 2 262.357 0.802 20 30 CCEDLP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271017605 814117726 /nfs/dbraw/zinc/11/77/26/814117726.db2.gz RUMOBHYFMRMHRX-HNNXBMFYSA-N 2 2 274.368 0.735 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271017605 814117732 /nfs/dbraw/zinc/11/77/32/814117732.db2.gz RUMOBHYFMRMHRX-HNNXBMFYSA-N 2 2 274.368 0.735 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219433 814447956 /nfs/dbraw/zinc/44/79/56/814447956.db2.gz CGCITZYMZKTDPJ-CABCVRRESA-N 2 2 286.379 0.687 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219433 814447960 /nfs/dbraw/zinc/44/79/60/814447960.db2.gz CGCITZYMZKTDPJ-CABCVRRESA-N 2 2 286.379 0.687 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301706 815965608 /nfs/dbraw/zinc/96/56/08/815965608.db2.gz MOGLSGOEMZISCP-CQSZACIVSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301706 815965614 /nfs/dbraw/zinc/96/56/14/815965614.db2.gz MOGLSGOEMZISCP-CQSZACIVSA-N 2 2 263.385 0.683 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001088867691 816124068 /nfs/dbraw/zinc/12/40/68/816124068.db2.gz LKVXVWQJIHVVBS-SYQHCUMBSA-N 2 2 286.379 0.736 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001088867691 816124072 /nfs/dbraw/zinc/12/40/72/816124072.db2.gz LKVXVWQJIHVVBS-SYQHCUMBSA-N 2 2 286.379 0.736 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498890 816792648 /nfs/dbraw/zinc/79/26/48/816792648.db2.gz VSCGEIWCEKRXBN-HUUCEWRRSA-N 2 2 288.395 0.981 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001031234288 816864548 /nfs/dbraw/zinc/86/45/48/816864548.db2.gz BIQHQHIPRLAOEF-UHFFFAOYSA-N 2 2 289.423 0.932 20 30 CCEDLP C=CC[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001272651957 816937857 /nfs/dbraw/zinc/93/78/57/816937857.db2.gz HZOMSXCBFZEMTD-ZDUSSCGKSA-N 2 2 262.357 0.897 20 30 CCEDLP C=CCC[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001031799432 817375415 /nfs/dbraw/zinc/37/54/15/817375415.db2.gz FMPIJEKGNYTIQZ-UHFFFAOYSA-N 2 2 292.383 0.974 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078830351 818056582 /nfs/dbraw/zinc/05/65/82/818056582.db2.gz XSUOOWATJLYCMD-QWHCGFSZSA-N 2 2 272.352 0.533 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032978422 818402261 /nfs/dbraw/zinc/40/22/61/818402261.db2.gz ZGJSQDDWYZMPCM-KBPBESRZSA-N 2 2 281.400 0.426 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032978422 818402266 /nfs/dbraw/zinc/40/22/66/818402266.db2.gz ZGJSQDDWYZMPCM-KBPBESRZSA-N 2 2 281.400 0.426 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032978422 818402269 /nfs/dbraw/zinc/40/22/69/818402269.db2.gz ZGJSQDDWYZMPCM-KBPBESRZSA-N 2 2 281.400 0.426 20 30 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C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032611448 897824655 /nfs/dbraw/zinc/82/46/55/897824655.db2.gz JGRODIYJSDXTBQ-MELADBBJSA-N 2 2 263.385 0.491 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001032627978 897845242 /nfs/dbraw/zinc/84/52/42/897845242.db2.gz ODSYYCXLKVILRP-IHRRRGAJSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001032627978 897845253 /nfs/dbraw/zinc/84/52/53/897845253.db2.gz ODSYYCXLKVILRP-IHRRRGAJSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032627978 897845260 /nfs/dbraw/zinc/84/52/60/897845260.db2.gz ODSYYCXLKVILRP-IHRRRGAJSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001032627978 897845266 /nfs/dbraw/zinc/84/52/66/897845266.db2.gz ODSYYCXLKVILRP-IHRRRGAJSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCOCC1 ZINC001032684766 897935044 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CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001281955735 904380578 /nfs/dbraw/zinc/38/05/78/904380578.db2.gz QEOXABVODJFUQU-CQSZACIVSA-N 2 2 274.368 0.898 20 30 CCEDLP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001282923507 904603242 /nfs/dbraw/zinc/60/32/42/904603242.db2.gz GDCSDVTXVRJWAI-CHWSQXEVSA-N 2 2 290.367 0.181 20 30 CCEDLP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001283103806 904694098 /nfs/dbraw/zinc/69/40/98/904694098.db2.gz XMOGIXCWCOKQMZ-HAQNSBGRSA-N 2 2 262.357 0.931 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC001334735114 906344086 /nfs/dbraw/zinc/34/40/86/906344086.db2.gz QQKZQAVPHWXTKG-GFCCVEGCSA-N 2 2 278.400 0.963 20 30 CCEDLP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC001334735114 906344100 /nfs/dbraw/zinc/34/41/00/906344100.db2.gz QQKZQAVPHWXTKG-GFCCVEGCSA-N 2 2 278.400 0.963 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001317194552 909039290 /nfs/dbraw/zinc/03/92/90/909039290.db2.gz SFUVIZGYCRZFBR-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001318308897 909697632 /nfs/dbraw/zinc/69/76/32/909697632.db2.gz BDOOESROXOVVEY-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001318308897 909697638 /nfs/dbraw/zinc/69/76/38/909697638.db2.gz BDOOESROXOVVEY-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001321129184 911106107 /nfs/dbraw/zinc/10/61/07/911106107.db2.gz YTUHCBNXENVKDF-ITDFMYJTSA-N 2 2 272.352 0.341 20 30 CCEDLP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)Cn1cc[nH+]c1 ZINC001329563636 916012280 /nfs/dbraw/zinc/01/22/80/916012280.db2.gz BTTWAQHLEGJWGG-RYUDHWBXSA-N 2 2 263.345 0.657 20 30 CCEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001330072535 916398213 /nfs/dbraw/zinc/39/82/13/916398213.db2.gz VJKBXFOUSQQPIQ-LBPRGKRZSA-N 2 2 274.368 0.422 20 30 CCEDLP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001332529030 918256318 /nfs/dbraw/zinc/25/63/18/918256318.db2.gz LKGLAJWSVPNGDT-GFCCVEGCSA-N 2 2 286.335 0.219 20 30 CCEDLP C#C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC001335443170 920197910 /nfs/dbraw/zinc/19/79/10/920197910.db2.gz CSTSMJVEZGEIOL-DLBZAZTESA-N 2 2 287.407 0.559 20 30 CCEDLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC001341753287 922658351 /nfs/dbraw/zinc/65/83/51/922658351.db2.gz RFOJRILLMBBMPU-HNNXBMFYSA-N 2 2 293.411 0.216 20 30 CCEDLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC001342949762 923144850 /nfs/dbraw/zinc/14/48/50/923144850.db2.gz DKZPCRFLGFKEDX-KGLIPLIRSA-N 2 2 296.415 0.577 20 30 CCEDLP C=CC[C@H](C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346568969 924266334 /nfs/dbraw/zinc/26/63/34/924266334.db2.gz BJEGHYWYHBUHFT-NSHDSACASA-N 2 2 254.378 0.673 20 30 CCEDLP CC[N@H+](CCO)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602619779 362716178 /nfs/dbraw/zinc/71/61/78/362716178.db2.gz RLJGFNZCXUEAKI-AWEZNQCLSA-N 2 2 283.416 0.989 20 30 CCEDLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602619779 362716183 /nfs/dbraw/zinc/71/61/83/362716183.db2.gz RLJGFNZCXUEAKI-AWEZNQCLSA-N 2 2 283.416 0.989 20 30 CCEDLP C[C@H](CCC#N)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000602719661 362770194 /nfs/dbraw/zinc/77/01/94/362770194.db2.gz DXCMRKJIWABRHL-OLZOCXBDSA-N 2 2 266.389 0.856 20 30 CCEDLP C[C@H](CCC#N)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000602719661 362770199 /nfs/dbraw/zinc/77/01/99/362770199.db2.gz DXCMRKJIWABRHL-OLZOCXBDSA-N 2 2 266.389 0.856 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCC)CC1 ZINC000081643615 349278739 /nfs/dbraw/zinc/27/87/39/349278739.db2.gz NLRBOWIRDMHXLK-UHFFFAOYSA-N 2 2 251.374 0.496 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCC)CC1 ZINC000081643615 349278743 /nfs/dbraw/zinc/27/87/43/349278743.db2.gz NLRBOWIRDMHXLK-UHFFFAOYSA-N 2 2 251.374 0.496 20 30 CCEDLP C[C@H](C#N)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000183813435 351393382 /nfs/dbraw/zinc/39/33/82/351393382.db2.gz RRZZEYLCOIIEEN-GFCCVEGCSA-N 2 2 274.372 0.478 20 30 CCEDLP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000610259287 363546182 /nfs/dbraw/zinc/54/61/82/363546182.db2.gz HBASDYZYSNKPSM-ZDUSSCGKSA-N 2 2 292.383 0.301 20 30 CCEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397821165 357772666 /nfs/dbraw/zinc/77/26/66/357772666.db2.gz KVQXCPODRNOCCC-KBPBESRZSA-N 2 2 269.389 0.551 20 30 CCEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CC#N)C1 ZINC000397821165 357772670 /nfs/dbraw/zinc/77/26/70/357772670.db2.gz KVQXCPODRNOCCC-KBPBESRZSA-N 2 2 269.389 0.551 20 30 CCEDLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397821165 357772672 /nfs/dbraw/zinc/77/26/72/357772672.db2.gz KVQXCPODRNOCCC-KBPBESRZSA-N 2 2 269.389 0.551 20 30 CCEDLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397821165 357772675 /nfs/dbraw/zinc/77/26/75/357772675.db2.gz KVQXCPODRNOCCC-KBPBESRZSA-N 2 2 269.389 0.551 20 30 CCEDLP C[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000573094471 358937664 /nfs/dbraw/zinc/93/76/64/358937664.db2.gz CEAJDGBKNDLCGD-CQSZACIVSA-N 2 2 287.367 0.343 20 30 CCEDLP N#CCC(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000584663354 359188652 /nfs/dbraw/zinc/18/86/52/359188652.db2.gz ZSHUAVRKVGOOOI-UHFFFAOYSA-N 2 2 261.329 0.331 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000589337250 359378654 /nfs/dbraw/zinc/37/86/54/359378654.db2.gz WZXJEKXTIJZGHJ-MRXNPFEDSA-N 2 2 298.390 0.909 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncncc3C#N)C2)CC1 ZINC000591911324 359691572 /nfs/dbraw/zinc/69/15/72/359691572.db2.gz JUXTXZJKUVNODH-CYBMUJFWSA-N 2 2 286.383 0.351 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncncc3C#N)C2)CC1 ZINC000591911324 359691575 /nfs/dbraw/zinc/69/15/75/359691575.db2.gz JUXTXZJKUVNODH-CYBMUJFWSA-N 2 2 286.383 0.351 20 30 CCEDLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C)CO1 ZINC000595939394 360715434 /nfs/dbraw/zinc/71/54/34/360715434.db2.gz HZLJBRXTQOEVEH-MJBXVCDLSA-N 2 2 296.415 0.623 20 30 CCEDLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C)CO1 ZINC000595939394 360715438 /nfs/dbraw/zinc/71/54/38/360715438.db2.gz HZLJBRXTQOEVEH-MJBXVCDLSA-N 2 2 296.415 0.623 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(C#N)CCC1 ZINC000596633108 360934546 /nfs/dbraw/zinc/93/45/46/360934546.db2.gz WRKCHEODVIXIER-UHFFFAOYSA-N 2 2 295.431 0.863 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(C#N)CCC1 ZINC000596633108 360934553 /nfs/dbraw/zinc/93/45/53/360934553.db2.gz WRKCHEODVIXIER-UHFFFAOYSA-N 2 2 295.431 0.863 20 30 CCEDLP C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000191117583 389006626 /nfs/dbraw/zinc/00/66/26/389006626.db2.gz RNFZPYFLFFUZGZ-AWEZNQCLSA-N 2 2 283.416 0.673 20 30 CCEDLP C=CC[N@H+](CCOC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000191117583 389006629 /nfs/dbraw/zinc/00/66/29/389006629.db2.gz RNFZPYFLFFUZGZ-AWEZNQCLSA-N 2 2 283.416 0.673 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246407795 389228431 /nfs/dbraw/zinc/22/84/31/389228431.db2.gz RMPNIHJMYBWSAU-OLZOCXBDSA-N 2 2 266.389 0.630 20 30 CCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246407795 389228435 /nfs/dbraw/zinc/22/84/35/389228435.db2.gz RMPNIHJMYBWSAU-OLZOCXBDSA-N 2 2 266.389 0.630 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000155872298 389320871 /nfs/dbraw/zinc/32/08/71/389320871.db2.gz XKRZXVAETANOKM-CYBMUJFWSA-N 2 2 281.425 0.201 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000155872298 389320874 /nfs/dbraw/zinc/32/08/74/389320874.db2.gz XKRZXVAETANOKM-CYBMUJFWSA-N 2 2 281.425 0.201 20 30 CCEDLP C[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156438094 389326317 /nfs/dbraw/zinc/32/63/17/389326317.db2.gz XWYKBOUALBCSIM-NEPJUHHUSA-N 2 2 261.329 0.406 20 30 CCEDLP C[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156438094 389326318 /nfs/dbraw/zinc/32/63/18/389326318.db2.gz XWYKBOUALBCSIM-NEPJUHHUSA-N 2 2 261.329 0.406 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N(C)Cc1ccon1 ZINC000261708023 389275625 /nfs/dbraw/zinc/27/56/25/389275625.db2.gz GWYLPKUFVIOCJS-UHFFFAOYSA-N 2 2 297.428 0.731 20 30 CCEDLP COc1ccc([C@@H](CNC(N)=[NH2+])[NH+](C)C)cc1OC ZINC000264131843 389308473 /nfs/dbraw/zinc/30/84/73/389308473.db2.gz UBSFDVQFYNFARD-SNVBAGLBSA-N 2 2 266.345 0.580 20 30 CCEDLP COc1ccccc1CNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000170906909 389467417 /nfs/dbraw/zinc/46/74/17/389467417.db2.gz GDOKGRIPOAFAKP-UHFFFAOYSA-N 2 2 273.340 0.996 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCC1CCOCC1 ZINC000176334274 389556516 /nfs/dbraw/zinc/55/65/16/389556516.db2.gz IPNXKACXQUFIGQ-UHFFFAOYSA-N 2 2 265.361 0.475 20 30 CCEDLP C[C@H](C#N)CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000182764235 389716115 /nfs/dbraw/zinc/71/61/15/389716115.db2.gz AEZXKUPLQMOERA-CYBMUJFWSA-N 2 2 295.431 0.813 20 30 CCEDLP C[C@H](C#N)CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182764235 389716120 /nfs/dbraw/zinc/71/61/20/389716120.db2.gz AEZXKUPLQMOERA-CYBMUJFWSA-N 2 2 295.431 0.813 20 30 CCEDLP C=C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000568997862 390715328 /nfs/dbraw/zinc/71/53/28/390715328.db2.gz ZXIPAFFYRJSBHA-ZIAGYGMSSA-N 2 2 256.390 0.966 20 30 CCEDLP C=C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000568997862 390715330 /nfs/dbraw/zinc/71/53/30/390715330.db2.gz ZXIPAFFYRJSBHA-ZIAGYGMSSA-N 2 2 256.390 0.966 20 30 CCEDLP C=C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000568997862 390715331 /nfs/dbraw/zinc/71/53/31/390715331.db2.gz ZXIPAFFYRJSBHA-ZIAGYGMSSA-N 2 2 256.390 0.966 20 30 CCEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000568997862 390715333 /nfs/dbraw/zinc/71/53/33/390715333.db2.gz ZXIPAFFYRJSBHA-ZIAGYGMSSA-N 2 2 256.390 0.966 20 30 CCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567148795 390675464 /nfs/dbraw/zinc/67/54/64/390675464.db2.gz SNEIHNBOHFZMET-RDBSUJKOSA-N 2 2 296.415 0.252 20 30 CCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567148795 390675466 /nfs/dbraw/zinc/67/54/66/390675466.db2.gz SNEIHNBOHFZMET-RDBSUJKOSA-N 2 2 296.415 0.252 20 30 CCEDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(C#N)c1 ZINC000038031051 174025071 /nfs/dbraw/zinc/02/50/71/174025071.db2.gz KKTNQILMMQMLCZ-UHFFFAOYSA-N 2 2 272.352 0.422 20 30 CCEDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(C#N)c1 ZINC000038031051 174025072 /nfs/dbraw/zinc/02/50/72/174025072.db2.gz KKTNQILMMQMLCZ-UHFFFAOYSA-N 2 2 272.352 0.422 20 30 CCEDLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1C#N ZINC000038031318 174025333 /nfs/dbraw/zinc/02/53/33/174025333.db2.gz AOTJUDRNKOYMKC-UHFFFAOYSA-N 2 2 272.352 0.422 20 30 CCEDLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1C#N ZINC000038031318 174025334 /nfs/dbraw/zinc/02/53/34/174025334.db2.gz AOTJUDRNKOYMKC-UHFFFAOYSA-N 2 2 272.352 0.422 20 30 CCEDLP C=CC[C@]1(C(=O)N2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662659739 414738076 /nfs/dbraw/zinc/73/80/76/414738076.db2.gz OQUXOFHVTNGTPB-CQSZACIVSA-N 2 2 251.374 0.849 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159706288 261192676 /nfs/dbraw/zinc/19/26/76/261192676.db2.gz VJCLZLWFRSKKEJ-UTUOFQBUSA-N 2 2 263.345 0.368 20 30 CCEDLP N#CCCN(CCn1cc[nH+]c1)CC[NH+]1CCOCC1 ZINC000162317848 261277190 /nfs/dbraw/zinc/27/71/90/261277190.db2.gz LIUBCPALFCPMMA-UHFFFAOYSA-N 2 2 277.372 0.431 20 30 CCEDLP C[C@H](NC(=O)NCC[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000329318824 299005364 /nfs/dbraw/zinc/00/53/64/299005364.db2.gz IHYINPCHWXSATO-ZDUSSCGKSA-N 2 2 296.415 0.473 20 30 CCEDLP C[C@H](NC(=O)NCC[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000329318824 299005368 /nfs/dbraw/zinc/00/53/68/299005368.db2.gz IHYINPCHWXSATO-ZDUSSCGKSA-N 2 2 296.415 0.473 20 30 CCEDLP C=CC[C@H](CC)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563592820 328075481 /nfs/dbraw/zinc/07/54/81/328075481.db2.gz WTEGYNKARBPARG-RYUDHWBXSA-N 2 2 254.378 0.625 20 30 CCEDLP C=CC[C@H](CC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563592820 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GKVXTIBQGIITKY-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C=CCN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000794993165 581318561 /nfs/dbraw/zinc/31/85/61/581318561.db2.gz RLYIFOJHRXDONC-UHFFFAOYSA-N 2 2 260.345 0.338 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccccn2)CC1 ZINC000782999947 581333110 /nfs/dbraw/zinc/33/31/10/581333110.db2.gz TWKGJASEKKLPFT-AWEZNQCLSA-N 2 2 286.379 0.510 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCn1cc[nH+]c1C ZINC000730105495 581646252 /nfs/dbraw/zinc/64/62/52/581646252.db2.gz JQYZLWIXYVTWIL-AWEZNQCLSA-N 2 2 274.368 0.795 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCn1cc[nH+]c1C ZINC000730105495 581646256 /nfs/dbraw/zinc/64/62/56/581646256.db2.gz JQYZLWIXYVTWIL-AWEZNQCLSA-N 2 2 274.368 0.795 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000730285633 581691931 /nfs/dbraw/zinc/69/19/31/581691931.db2.gz BAVNXQUNAVSWOP-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCOC)C1 ZINC000730285633 581691935 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/nfs/dbraw/zinc/80/27/95/581802795.db2.gz MFFLGTIOOMAORA-MJBXVCDLSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)[C@@H](C)[C@H]1C ZINC000771405678 581802797 /nfs/dbraw/zinc/80/27/97/581802797.db2.gz MFFLGTIOOMAORA-MJBXVCDLSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CCSCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896324553 613013507 /nfs/dbraw/zinc/01/35/07/613013507.db2.gz FEIVUHBEGGBUSJ-CYBMUJFWSA-N 2 2 295.452 0.638 20 30 CCEDLP C#CCSCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896324553 613013508 /nfs/dbraw/zinc/01/35/08/613013508.db2.gz FEIVUHBEGGBUSJ-CYBMUJFWSA-N 2 2 295.452 0.638 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981408054 612957359 /nfs/dbraw/zinc/95/73/59/612957359.db2.gz AAIWOUBSXQQAMU-VXGBXAGGSA-N 2 2 260.341 0.602 20 30 CCEDLP C#CC[C@@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895490600 613030026 /nfs/dbraw/zinc/03/00/26/613030026.db2.gz RDPXRCHAKIBJGV-KBPBESRZSA-N 2 2 252.358 0.214 20 30 CCEDLP 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ZINC000968534249 613732667 /nfs/dbraw/zinc/73/26/67/613732667.db2.gz PJLLTBJEMFFTEB-TZMCWYRMSA-N 2 2 276.384 0.975 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968534249 613732669 /nfs/dbraw/zinc/73/26/69/613732669.db2.gz PJLLTBJEMFFTEB-TZMCWYRMSA-N 2 2 276.384 0.975 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000969457190 613864769 /nfs/dbraw/zinc/86/47/69/613864769.db2.gz LEIKIQBGIVNHGO-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000969457190 613864771 /nfs/dbraw/zinc/86/47/71/613864771.db2.gz LEIKIQBGIVNHGO-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000970224033 613864911 /nfs/dbraw/zinc/86/49/11/613864911.db2.gz JDVAQLWWXZJMQG-VXGBXAGGSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000970224033 613864912 /nfs/dbraw/zinc/86/49/12/613864912.db2.gz JDVAQLWWXZJMQG-VXGBXAGGSA-N 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CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001016261074 650708314 /nfs/dbraw/zinc/70/83/14/650708314.db2.gz VSKNOXQQQZVOHM-ZDUSSCGKSA-N 2 2 260.341 0.405 20 30 CCEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852860144 644029137 /nfs/dbraw/zinc/02/91/37/644029137.db2.gz LDLRTKYSGLPEFC-LBPRGKRZSA-N 2 2 260.341 0.391 20 30 CCEDLP O=C(C#CC1CC[NH2+]CC1)NCc1ccn2cc[nH+]c2c1 ZINC000852870553 644034288 /nfs/dbraw/zinc/03/42/88/644034288.db2.gz DYEJCOLMDLDYQT-UHFFFAOYSA-N 2 2 282.347 0.954 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC001019189619 650945189 /nfs/dbraw/zinc/94/51/89/650945189.db2.gz UCKFTMPBQLFMIR-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC001019189619 650945190 /nfs/dbraw/zinc/94/51/90/650945190.db2.gz UCKFTMPBQLFMIR-GJZGRUSLSA-N 2 2 293.411 0.311 20 30 CCEDLP O=C1C=COC2(CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)C1 ZINC000933652742 649132712 /nfs/dbraw/zinc/13/27/12/649132712.db2.gz 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793229522 /nfs/dbraw/zinc/22/95/22/793229522.db2.gz KSFAMYHVTMWCCY-UONOGXRCSA-N 2 2 261.369 0.152 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001038252215 793229533 /nfs/dbraw/zinc/22/95/33/793229533.db2.gz KSFAMYHVTMWCCY-UONOGXRCSA-N 2 2 261.369 0.152 20 30 CCEDLP C#CCOc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235056141 806358979 /nfs/dbraw/zinc/35/89/79/806358979.db2.gz YUTGABVOKFZYDP-QGZVFWFLSA-N 2 2 285.391 0.836 20 30 CCEDLP C#CCOc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235056141 806358988 /nfs/dbraw/zinc/35/89/88/806358988.db2.gz YUTGABVOKFZYDP-QGZVFWFLSA-N 2 2 285.391 0.836 20 30 CCEDLP C#Cc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235062439 806363658 /nfs/dbraw/zinc/36/36/58/806363658.db2.gz MOZWUUAIHCTKRE-MRXNPFEDSA-N 2 2 255.365 0.805 20 30 CCEDLP C#Cc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235062439 806363665 /nfs/dbraw/zinc/36/36/65/806363665.db2.gz MOZWUUAIHCTKRE-MRXNPFEDSA-N 2 2 255.365 0.805 20 30 CCEDLP C=CCN1CC[C@]2(CCC[N@@H+](C[C@H](C)[NH3+])C2)C1=O ZINC001235494999 806434527 /nfs/dbraw/zinc/43/45/27/806434527.db2.gz VCWNYFZGZOWDSU-JSGCOSHPSA-N 2 2 251.374 0.834 20 30 CCEDLP C=CCN1CC[C@]2(CCC[N@H+](C[C@H](C)[NH3+])C2)C1=O ZINC001235494999 806434533 /nfs/dbraw/zinc/43/45/33/806434533.db2.gz VCWNYFZGZOWDSU-JSGCOSHPSA-N 2 2 251.374 0.834 20 30 CCEDLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@@H+]2CCCCC#N ZINC001277952000 806451036 /nfs/dbraw/zinc/45/10/36/806451036.db2.gz RTNXZLOSUOECSK-GASCZTMLSA-N 2 2 280.416 0.627 20 30 CCEDLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@H+]2CCCCC#N ZINC001277952000 806451042 /nfs/dbraw/zinc/45/10/42/806451042.db2.gz RTNXZLOSUOECSK-GASCZTMLSA-N 2 2 280.416 0.627 20 30 CCEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150506832 800342139 /nfs/dbraw/zinc/34/21/39/800342139.db2.gz ATJUTDSAEMKPAL-CYBMUJFWSA-N 2 2 290.367 0.183 20 30 CCEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150506832 800342146 /nfs/dbraw/zinc/34/21/46/800342146.db2.gz ATJUTDSAEMKPAL-CYBMUJFWSA-N 2 2 290.367 0.183 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663587 800356402 /nfs/dbraw/zinc/35/64/02/800356402.db2.gz MOBOTAYIHXVZPA-ZDUSSCGKSA-N 2 2 292.383 0.654 20 30 CCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663587 800356414 /nfs/dbraw/zinc/35/64/14/800356414.db2.gz MOBOTAYIHXVZPA-ZDUSSCGKSA-N 2 2 292.383 0.654 20 30 CCEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824169 800369750 /nfs/dbraw/zinc/36/97/50/800369750.db2.gz HOGZPQQZPOTRNE-AWEZNQCLSA-N 2 2 290.367 0.114 20 30 CCEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824169 800369758 /nfs/dbraw/zinc/36/97/58/800369758.db2.gz HOGZPQQZPOTRNE-AWEZNQCLSA-N 2 2 290.367 0.114 20 30 CCEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824982 800370257 /nfs/dbraw/zinc/37/02/57/800370257.db2.gz PHNAVISVSYDNRU-AWEZNQCLSA-N 2 2 290.367 0.114 20 30 CCEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824982 800370264 /nfs/dbraw/zinc/37/02/64/800370264.db2.gz PHNAVISVSYDNRU-AWEZNQCLSA-N 2 2 290.367 0.114 20 30 CCEDLP C=CCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814205 800461232 /nfs/dbraw/zinc/46/12/32/800461232.db2.gz FRFRZHMAWGZUQS-AWEZNQCLSA-N 2 2 281.400 0.379 20 30 CCEDLP C#CC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152603641 800542717 /nfs/dbraw/zinc/54/27/17/800542717.db2.gz NVNXQSOBBLFGRO-ZDUSSCGKSA-N 2 2 260.341 0.023 20 30 CCEDLP C[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)CC1 ZINC001157451213 801386829 /nfs/dbraw/zinc/38/68/29/801386829.db2.gz PNOPBLLTZVOYPO-AWEZNQCLSA-N 2 2 272.352 0.202 20 30 CCEDLP Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1C#N ZINC001158204947 801592803 /nfs/dbraw/zinc/59/28/03/801592803.db2.gz XBRLZQYNLIEUBI-SNVBAGLBSA-N 2 2 257.297 0.310 20 30 CCEDLP N#Cc1cc2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc2[nH]1 ZINC001158206303 801593835 /nfs/dbraw/zinc/59/38/35/801593835.db2.gz IPYKGZKFDMQOKN-SECBINFHSA-N 2 2 282.307 0.482 20 30 CCEDLP 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VAIRTDNBXMZLNF-AVGNSLFASA-N 2 2 295.383 0.034 20 30 CCEDLP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001332048412 917822441 /nfs/dbraw/zinc/82/24/41/917822441.db2.gz MENOSJYHBMLGCY-DGCLKSJQSA-N 2 2 274.368 0.863 20 30 CCEDLP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001332530861 918259323 /nfs/dbraw/zinc/25/93/23/918259323.db2.gz XHUYFEWOFWJJSX-ZDUSSCGKSA-N 2 2 294.399 0.522 20 30 CCEDLP C#CCC[NH+]1CCC([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC001336781113 921005741 /nfs/dbraw/zinc/00/57/41/921005741.db2.gz SIJUZANYJOVMIW-NSHDSACASA-N 2 2 264.291 0.987 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340056063 921936809 /nfs/dbraw/zinc/93/68/09/921936809.db2.gz GUMMRNYZDBEYKX-ZNMIVQPWSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH2+]CC(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340056063 921936819 /nfs/dbraw/zinc/93/68/19/921936819.db2.gz GUMMRNYZDBEYKX-ZNMIVQPWSA-N 2 2 293.411 0.309 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC001340609299 922138137 /nfs/dbraw/zinc/13/81/37/922138137.db2.gz JFALWKUAJWOINU-IHRRRGAJSA-N 2 2 283.416 0.895 20 30 CCEDLP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC001340609299 922138145 /nfs/dbraw/zinc/13/81/45/922138145.db2.gz JFALWKUAJWOINU-IHRRRGAJSA-N 2 2 283.416 0.895 20 30 CCEDLP C=CC[C@@H](C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346568968 924265163 /nfs/dbraw/zinc/26/51/63/924265163.db2.gz BJEGHYWYHBUHFT-LLVKDONJSA-N 2 2 254.378 0.673 20 30 CCEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600713947 362043189 /nfs/dbraw/zinc/04/31/89/362043189.db2.gz GZWOMROVLSSIAV-LSDHHAIUSA-N 2 2 295.427 0.988 20 30 CCEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600713947 362043198 /nfs/dbraw/zinc/04/31/98/362043198.db2.gz GZWOMROVLSSIAV-LSDHHAIUSA-N 2 2 295.427 0.988 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602009917 362456394 /nfs/dbraw/zinc/45/63/94/362456394.db2.gz YZVHAZLYPLZTED-UHFFFAOYSA-N 2 2 290.342 0.561 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173900806 351061010 /nfs/dbraw/zinc/06/10/10/351061010.db2.gz GOILQCVCSLNCGO-QWHCGFSZSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173900806 351061015 /nfs/dbraw/zinc/06/10/15/351061015.db2.gz GOILQCVCSLNCGO-QWHCGFSZSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173900806 351061018 /nfs/dbraw/zinc/06/10/18/351061018.db2.gz GOILQCVCSLNCGO-QWHCGFSZSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173900806 351061024 /nfs/dbraw/zinc/06/10/24/351061024.db2.gz GOILQCVCSLNCGO-QWHCGFSZSA-N 2 2 251.374 0.398 20 30 CCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603833318 363161792 /nfs/dbraw/zinc/16/17/92/363161792.db2.gz FYFBHURUPVKKTG-RGCMKSIDSA-N 2 2 278.400 0.581 20 30 CCEDLP C=CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338179914 355310308 /nfs/dbraw/zinc/31/03/08/355310308.db2.gz SZVJXYHLGJYRLA-UHFFFAOYSA-N 2 2 295.427 0.864 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672551 366318110 /nfs/dbraw/zinc/31/81/10/366318110.db2.gz AQZNPFGSUQBQNF-VXGBXAGGSA-N 2 2 250.346 0.042 20 30 CCEDLP C=CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655754456 412654464 /nfs/dbraw/zinc/65/44/64/412654464.db2.gz WMFJLEWFYUGOLV-KGLIPLIRSA-N 2 2 254.374 0.766 20 30 CCEDLP C=CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655754460 412655188 /nfs/dbraw/zinc/65/51/88/412655188.db2.gz WMFJLEWFYUGOLV-ZIAGYGMSSA-N 2 2 254.374 0.766 20 30 CCEDLP C[N@@H+]1CCC[C@@H]1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000593016967 360015299 /nfs/dbraw/zinc/01/52/99/360015299.db2.gz ZPVFJLOHJMPOIC-OAHLLOKOSA-N 2 2 280.416 0.628 20 30 CCEDLP C[N@H+]1CCC[C@@H]1CN(CCC#N)CC[NH+]1CCOCC1 ZINC000593016967 360015302 /nfs/dbraw/zinc/01/53/02/360015302.db2.gz ZPVFJLOHJMPOIC-OAHLLOKOSA-N 2 2 280.416 0.628 20 30 CCEDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(CC#N)cc1 ZINC000593906475 360203127 /nfs/dbraw/zinc/20/31/27/360203127.db2.gz BQPMQNPGRAOAKM-CQSZACIVSA-N 2 2 274.368 0.648 20 30 CCEDLP Cn1c[nH+]cc1CCC[NH+]1CCN(CCC#N)CC1 ZINC000593969181 360225135 /nfs/dbraw/zinc/22/51/35/360225135.db2.gz WYIDTICRLZEAQJ-UHFFFAOYSA-N 2 2 261.373 0.884 20 30 CCEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638847185 375403938 /nfs/dbraw/zinc/40/39/38/375403938.db2.gz NCSMGICWQMVKFE-UHFFFAOYSA-N 2 2 269.389 0.114 20 30 CCEDLP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000305724942 389088138 /nfs/dbraw/zinc/08/81/38/389088138.db2.gz LFEQUHRWXKNING-GJZGRUSLSA-N 2 2 295.427 0.728 20 30 CCEDLP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000305724942 389088139 /nfs/dbraw/zinc/08/81/39/389088139.db2.gz LFEQUHRWXKNING-GJZGRUSLSA-N 2 2 295.427 0.728 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264630391 389339879 /nfs/dbraw/zinc/33/98/79/389339879.db2.gz TWDROIYNZPBYME-HNNXBMFYSA-N 2 2 286.379 0.988 20 30 CCEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000264630391 389339883 /nfs/dbraw/zinc/33/98/83/389339883.db2.gz TWDROIYNZPBYME-HNNXBMFYSA-N 2 2 286.379 0.988 20 30 CCEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000366556432 389304709 /nfs/dbraw/zinc/30/47/09/389304709.db2.gz HECNFHULWMHEEC-CQSZACIVSA-N 2 2 276.384 0.576 20 30 CCEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000366556432 389304712 /nfs/dbraw/zinc/30/47/12/389304712.db2.gz HECNFHULWMHEEC-CQSZACIVSA-N 2 2 276.384 0.576 20 30 CCEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000366556432 389304716 /nfs/dbraw/zinc/30/47/16/389304716.db2.gz HECNFHULWMHEEC-CQSZACIVSA-N 2 2 276.384 0.576 20 30 CCEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000366556432 389304720 /nfs/dbraw/zinc/30/47/20/389304720.db2.gz HECNFHULWMHEEC-CQSZACIVSA-N 2 2 276.384 0.576 20 30 CCEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000399308646 389790817 /nfs/dbraw/zinc/79/08/17/389790817.db2.gz QTXNLYHRLISUNT-HNNXBMFYSA-N 2 2 283.416 0.941 20 30 CCEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000399308646 389790821 /nfs/dbraw/zinc/79/08/21/389790821.db2.gz QTXNLYHRLISUNT-HNNXBMFYSA-N 2 2 283.416 0.941 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430974399 389842776 /nfs/dbraw/zinc/84/27/76/389842776.db2.gz ZESVKVAHZJHEQJ-GARJFASQSA-N 2 2 268.361 0.056 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430974399 389842779 /nfs/dbraw/zinc/84/27/79/389842779.db2.gz ZESVKVAHZJHEQJ-GARJFASQSA-N 2 2 268.361 0.056 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])C1=O ZINC000420341056 389986200 /nfs/dbraw/zinc/98/62/00/389986200.db2.gz PSQSPSWUEKNXGA-XQQFMLRXSA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])C1=O ZINC000420341056 389986202 /nfs/dbraw/zinc/98/62/02/389986202.db2.gz PSQSPSWUEKNXGA-XQQFMLRXSA-N 2 2 251.374 0.833 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H](CC)C2)CC1 ZINC000490780285 390107926 /nfs/dbraw/zinc/10/79/26/390107926.db2.gz JDVHAYFQQZDIEM-CQSZACIVSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H](CC)C2)CC1 ZINC000490780285 390107927 /nfs/dbraw/zinc/10/79/27/390107927.db2.gz JDVHAYFQQZDIEM-CQSZACIVSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000491376168 390112568 /nfs/dbraw/zinc/11/25/68/390112568.db2.gz YYIFICUSIZBDCG-AWEZNQCLSA-N 2 2 281.400 0.072 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000491376168 390112569 /nfs/dbraw/zinc/11/25/69/390112569.db2.gz YYIFICUSIZBDCG-AWEZNQCLSA-N 2 2 281.400 0.072 20 30 CCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567148793 390675383 /nfs/dbraw/zinc/67/53/83/390675383.db2.gz SNEIHNBOHFZMET-MCIONIFRSA-N 2 2 296.415 0.252 20 30 CCEDLP C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567148793 390675386 /nfs/dbraw/zinc/67/53/86/390675386.db2.gz SNEIHNBOHFZMET-MCIONIFRSA-N 2 2 296.415 0.252 20 30 CCEDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528515511 390752695 /nfs/dbraw/zinc/75/26/95/390752695.db2.gz CGFLQOIHADYSGV-CQSZACIVSA-N 2 2 295.427 0.866 20 30 CCEDLP C=CCSCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572943709 390812302 /nfs/dbraw/zinc/81/23/02/390812302.db2.gz QOJSTFWKKFZUFN-LLVKDONJSA-N 2 2 272.418 0.190 20 30 CCEDLP C=CCSCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572943709 390812304 /nfs/dbraw/zinc/81/23/04/390812304.db2.gz QOJSTFWKKFZUFN-LLVKDONJSA-N 2 2 272.418 0.190 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCC[NH2+]1 ZINC000662715854 414745734 /nfs/dbraw/zinc/74/57/34/414745734.db2.gz WTSUJMFNKZEGMM-MRXNPFEDSA-N 2 2 295.427 0.912 20 30 CCEDLP C=CC[C@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCC[NH2+]1 ZINC000662715854 414745735 /nfs/dbraw/zinc/74/57/35/414745735.db2.gz WTSUJMFNKZEGMM-MRXNPFEDSA-N 2 2 295.427 0.912 20 30 CCEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC000329145142 227325916 /nfs/dbraw/zinc/32/59/16/227325916.db2.gz ABPONUCNWAAUCZ-CYBMUJFWSA-N 2 2 279.388 0.866 20 30 CCEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC000329145142 227325919 /nfs/dbraw/zinc/32/59/19/227325919.db2.gz ABPONUCNWAAUCZ-CYBMUJFWSA-N 2 2 279.388 0.866 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)CC[N@@H+]1C ZINC000329809031 545026828 /nfs/dbraw/zinc/02/68/28/545026828.db2.gz PSZVEGCRXXVESM-MGPQQGTHSA-N 2 2 297.447 0.219 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)CC[N@H+]1C ZINC000329809031 545026830 /nfs/dbraw/zinc/02/68/30/545026830.db2.gz PSZVEGCRXXVESM-MGPQQGTHSA-N 2 2 297.447 0.219 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC[NH+]1C ZINC000329809031 545026832 /nfs/dbraw/zinc/02/68/32/545026832.db2.gz PSZVEGCRXXVESM-MGPQQGTHSA-N 2 2 297.447 0.219 20 30 CCEDLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC[NH+]1C ZINC000329809031 545026833 /nfs/dbraw/zinc/02/68/33/545026833.db2.gz PSZVEGCRXXVESM-MGPQQGTHSA-N 2 2 297.447 0.219 20 30 CCEDLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000407988063 260151366 /nfs/dbraw/zinc/15/13/66/260151366.db2.gz CABQSPKRHXMKBK-CHWSQXEVSA-N 2 2 264.373 0.384 20 30 CCEDLP C#CC[N@@H+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000490778948 261207636 /nfs/dbraw/zinc/20/76/36/261207636.db2.gz PEPPZEDZCQUSBA-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP C#CC[N@H+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000490778948 261207638 /nfs/dbraw/zinc/20/76/38/261207638.db2.gz PEPPZEDZCQUSBA-ZDUSSCGKSA-N 2 2 251.374 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)C)C2)CC1 ZINC000490840463 261223122 /nfs/dbraw/zinc/22/31/22/261223122.db2.gz OKVCWSBSQMCGIW-OAHLLOKOSA-N 2 2 277.412 0.742 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(C)C)C2)CC1 ZINC000490840463 261223124 /nfs/dbraw/zinc/22/31/24/261223124.db2.gz OKVCWSBSQMCGIW-OAHLLOKOSA-N 2 2 277.412 0.742 20 30 CCEDLP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000330849536 264067879 /nfs/dbraw/zinc/06/78/79/264067879.db2.gz DMIDIURDOGTDFJ-VXGBXAGGSA-N 2 2 284.404 0.841 20 30 CCEDLP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000330849536 264067880 /nfs/dbraw/zinc/06/78/80/264067880.db2.gz DMIDIURDOGTDFJ-VXGBXAGGSA-N 2 2 284.404 0.841 20 30 CCEDLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000330849536 264067882 /nfs/dbraw/zinc/06/78/82/264067882.db2.gz DMIDIURDOGTDFJ-VXGBXAGGSA-N 2 2 284.404 0.841 20 30 CCEDLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000330849536 264067884 /nfs/dbraw/zinc/06/78/84/264067884.db2.gz DMIDIURDOGTDFJ-VXGBXAGGSA-N 2 2 284.404 0.841 20 30 CCEDLP C[N@H+](CCC#N)C[C@@H](O)CN[C@H]1CC[NH+](C2CCCC2)C1 ZINC000518964068 265251723 /nfs/dbraw/zinc/25/17/23/265251723.db2.gz YHAHEYVJOSTVCX-HOCLYGCPSA-N 2 2 294.443 0.799 20 30 CCEDLP C[N@@H+](CCC#N)C[C@@H](O)CN[C@H]1CC[NH+](C2CCCC2)C1 ZINC000518964068 265251725 /nfs/dbraw/zinc/25/17/25/265251725.db2.gz YHAHEYVJOSTVCX-HOCLYGCPSA-N 2 2 294.443 0.799 20 30 CCEDLP C[NH+](CCC#N)C[C@@H](O)CN[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518964068 265251726 /nfs/dbraw/zinc/25/17/26/265251726.db2.gz YHAHEYVJOSTVCX-HOCLYGCPSA-N 2 2 294.443 0.799 20 30 CCEDLP C[NH+](CCC#N)C[C@@H](O)CN[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000518964068 265251727 /nfs/dbraw/zinc/25/17/27/265251727.db2.gz YHAHEYVJOSTVCX-HOCLYGCPSA-N 2 2 294.443 0.799 20 30 CCEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000744423335 581842099 /nfs/dbraw/zinc/84/20/99/581842099.db2.gz FCJLICHRSSMTKQ-LBPRGKRZSA-N 2 2 252.362 0.290 20 30 CCEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000744423335 581842102 /nfs/dbraw/zinc/84/21/02/581842102.db2.gz FCJLICHRSSMTKQ-LBPRGKRZSA-N 2 2 252.362 0.290 20 30 CCEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000744423335 581842105 /nfs/dbraw/zinc/84/21/05/581842105.db2.gz FCJLICHRSSMTKQ-LBPRGKRZSA-N 2 2 252.362 0.290 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000377744718 329027729 /nfs/dbraw/zinc/02/77/29/329027729.db2.gz LUKLUMOKNLTYGX-CQSZACIVSA-N 2 2 286.379 0.928 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000424382330 330349373 /nfs/dbraw/zinc/34/93/73/330349373.db2.gz SBLTYUQIGFJLAF-FQUUOJAGSA-N 2 2 254.374 0.934 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)O[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000490714714 332107453 /nfs/dbraw/zinc/10/74/53/332107453.db2.gz QLGJMFZDBADEBD-AWEZNQCLSA-N 2 2 294.395 0.596 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000490740573 332111192 /nfs/dbraw/zinc/11/11/92/332111192.db2.gz LSUNAZGQEBIBDY-UKRRQHHQSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000490740573 332111193 /nfs/dbraw/zinc/11/11/93/332111193.db2.gz LSUNAZGQEBIBDY-UKRRQHHQSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000490740573 332111194 /nfs/dbraw/zinc/11/11/94/332111194.db2.gz LSUNAZGQEBIBDY-UKRRQHHQSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000490740573 332111195 /nfs/dbraw/zinc/11/11/95/332111195.db2.gz LSUNAZGQEBIBDY-UKRRQHHQSA-N 2 2 277.412 0.788 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000490741416 332111839 /nfs/dbraw/zinc/11/18/39/332111839.db2.gz UXKNKEQTHUSEPI-INIZCTEOSA-N 2 2 293.411 0.001 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000490741416 332111841 /nfs/dbraw/zinc/11/18/41/332111841.db2.gz UXKNKEQTHUSEPI-INIZCTEOSA-N 2 2 293.411 0.001 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000490804610 332117181 /nfs/dbraw/zinc/11/71/81/332117181.db2.gz ZMWJTIKWANYULJ-ZDUSSCGKSA-N 2 2 251.374 0.542 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000490804610 332117183 /nfs/dbraw/zinc/11/71/83/332117183.db2.gz ZMWJTIKWANYULJ-ZDUSSCGKSA-N 2 2 251.374 0.542 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H]2C)CC1 ZINC000490839818 332119302 /nfs/dbraw/zinc/11/93/02/332119302.db2.gz KOJFEZZVOMDUMC-KBPBESRZSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H]2C)CC1 ZINC000490839818 332119303 /nfs/dbraw/zinc/11/93/03/332119303.db2.gz KOJFEZZVOMDUMC-KBPBESRZSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491096078 332149058 /nfs/dbraw/zinc/14/90/58/332149058.db2.gz OYFUPDWYXBUFLE-MRXNPFEDSA-N 2 2 285.391 0.990 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491096078 332149059 /nfs/dbraw/zinc/14/90/59/332149059.db2.gz OYFUPDWYXBUFLE-MRXNPFEDSA-N 2 2 285.391 0.990 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000491440105 332212082 /nfs/dbraw/zinc/21/20/82/332212082.db2.gz NQVRMDRVAQEPRF-HUUCEWRRSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000491440105 332212083 /nfs/dbraw/zinc/21/20/83/332212083.db2.gz NQVRMDRVAQEPRF-HUUCEWRRSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000491677739 332282378 /nfs/dbraw/zinc/28/23/78/332282378.db2.gz ZINVIUSVMHKSKF-UHFFFAOYSA-N 2 2 286.379 0.780 20 30 CCEDLP C#C[C@@H](CC)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000491714229 332304935 /nfs/dbraw/zinc/30/49/35/332304935.db2.gz GCLGDCFFZNJJAX-ZDUSSCGKSA-N 2 2 280.416 0.723 20 30 CCEDLP C#C[C@@H](C)[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000491803911 332357681 /nfs/dbraw/zinc/35/76/81/332357681.db2.gz JVVAUGIYSAPMEQ-DOMZBBRYSA-N 2 2 277.368 0.814 20 30 CCEDLP C#C[C@@H](C)[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000491803911 332357682 /nfs/dbraw/zinc/35/76/82/332357682.db2.gz JVVAUGIYSAPMEQ-DOMZBBRYSA-N 2 2 277.368 0.814 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCSC)CC1 ZINC000138271342 334204582 /nfs/dbraw/zinc/20/45/82/334204582.db2.gz PFMIPBBMGKPVNC-UHFFFAOYSA-N 2 2 269.414 0.059 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCSC)CC1 ZINC000138271342 334204583 /nfs/dbraw/zinc/20/45/83/334204583.db2.gz PFMIPBBMGKPVNC-UHFFFAOYSA-N 2 2 269.414 0.059 20 30 CCEDLP N#CCCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000779632603 581195972 /nfs/dbraw/zinc/19/59/72/581195972.db2.gz OJKWOSBXXBEUOG-UHFFFAOYSA-N 2 2 273.340 0.233 20 30 CCEDLP C#CCC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC000793552869 581303209 /nfs/dbraw/zinc/30/32/09/581303209.db2.gz KNEQBPIUEAZJIR-UHFFFAOYSA-N 2 2 288.395 0.957 20 30 CCEDLP COCCCN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000794540734 581375251 /nfs/dbraw/zinc/37/52/51/581375251.db2.gz CBTSXZWIGRWTKF-UHFFFAOYSA-N 2 2 292.387 0.188 20 30 CCEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000744423335 581842097 /nfs/dbraw/zinc/84/20/97/581842097.db2.gz FCJLICHRSSMTKQ-LBPRGKRZSA-N 2 2 252.362 0.290 20 30 CCEDLP C#C[C@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)[C@H]1CCCO1 ZINC000775793489 582039109 /nfs/dbraw/zinc/03/91/09/582039109.db2.gz DFKJUJMMAXTPEH-SOUVJXGZSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981354133 612958897 /nfs/dbraw/zinc/95/88/97/612958897.db2.gz OGAYTDCWQPHUGV-NEPJUHHUSA-N 2 2 260.341 0.602 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000968976435 612963104 /nfs/dbraw/zinc/96/31/04/612963104.db2.gz GJFMEUNPLSNYKI-IJLUTSLNSA-N 2 2 258.325 0.337 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000968976435 612963106 /nfs/dbraw/zinc/96/31/06/612963106.db2.gz GJFMEUNPLSNYKI-IJLUTSLNSA-N 2 2 258.325 0.337 20 30 CCEDLP C#CC1CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000830311101 612965124 /nfs/dbraw/zinc/96/51/24/612965124.db2.gz DJIWFXCCPJGZGC-CQSZACIVSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981455642 612972040 /nfs/dbraw/zinc/97/20/40/612972040.db2.gz FCEGDWZACKRKKC-QWHCGFSZSA-N 2 2 274.368 0.613 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962296254 613043316 /nfs/dbraw/zinc/04/33/16/613043316.db2.gz VMEJMJGSVARVCQ-NHAGDIPZSA-N 2 2 272.352 0.032 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962296254 613043318 /nfs/dbraw/zinc/04/33/18/613043318.db2.gz VMEJMJGSVARVCQ-NHAGDIPZSA-N 2 2 272.352 0.032 20 30 CCEDLP C#CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895490606 613058474 /nfs/dbraw/zinc/05/84/74/613058474.db2.gz RDPXRCHAKIBJGV-KGLIPLIRSA-N 2 2 252.358 0.214 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908435075 613072478 /nfs/dbraw/zinc/07/24/78/613072478.db2.gz BCZZKZIEEAMEHC-SQFISAMPSA-N 2 2 293.411 0.336 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908435075 613072479 /nfs/dbraw/zinc/07/24/79/613072479.db2.gz BCZZKZIEEAMEHC-SQFISAMPSA-N 2 2 293.411 0.336 20 30 CCEDLP C#CC[NH+]1CCC(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000905145735 613134001 /nfs/dbraw/zinc/13/40/01/613134001.db2.gz QADYKBWFETVXNV-UHFFFAOYSA-N 2 2 275.356 0.280 20 30 CCEDLP C#CC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036333 613141550 /nfs/dbraw/zinc/14/15/50/613141550.db2.gz FLLYCHLNXAKVGA-UHFFFAOYSA-N 2 2 272.352 0.510 20 30 CCEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036333 613141552 /nfs/dbraw/zinc/14/15/52/613141552.db2.gz FLLYCHLNXAKVGA-UHFFFAOYSA-N 2 2 272.352 0.510 20 30 CCEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981332030 613155551 /nfs/dbraw/zinc/15/55/51/613155551.db2.gz QEZBHKAEWCTMGG-CQSZACIVSA-N 2 2 286.379 0.928 20 30 CCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981332030 613155553 /nfs/dbraw/zinc/15/55/53/613155553.db2.gz QEZBHKAEWCTMGG-CQSZACIVSA-N 2 2 286.379 0.928 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000890360881 613188139 /nfs/dbraw/zinc/18/81/39/613188139.db2.gz DZJUMRQUEKPRGB-STQMWFEESA-N 2 2 287.367 0.205 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000890360881 613188140 /nfs/dbraw/zinc/18/81/40/613188140.db2.gz DZJUMRQUEKPRGB-STQMWFEESA-N 2 2 287.367 0.205 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874841016 613197588 /nfs/dbraw/zinc/19/75/88/613197588.db2.gz SQHPALQVZALXNI-KKUMJFAQSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874841016 613197589 /nfs/dbraw/zinc/19/75/89/613197589.db2.gz SQHPALQVZALXNI-KKUMJFAQSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000874841016 613197590 /nfs/dbraw/zinc/19/75/90/613197590.db2.gz SQHPALQVZALXNI-KKUMJFAQSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000874841016 613197591 /nfs/dbraw/zinc/19/75/91/613197591.db2.gz SQHPALQVZALXNI-KKUMJFAQSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944446826 613225919 /nfs/dbraw/zinc/22/59/19/613225919.db2.gz WUJZUNZRFYRZOF-WCQYABFASA-N 2 2 274.368 0.720 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944446826 613225921 /nfs/dbraw/zinc/22/59/21/613225921.db2.gz WUJZUNZRFYRZOF-WCQYABFASA-N 2 2 274.368 0.720 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944446827 613259436 /nfs/dbraw/zinc/25/94/36/613259436.db2.gz WUJZUNZRFYRZOF-YPMHNXCESA-N 2 2 274.368 0.720 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944446827 613259437 /nfs/dbraw/zinc/25/94/37/613259437.db2.gz WUJZUNZRFYRZOF-YPMHNXCESA-N 2 2 274.368 0.720 20 30 CCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961175827 613314851 /nfs/dbraw/zinc/31/48/51/613314851.db2.gz AQLXCIHNPAXCIP-LAQFHYBYSA-N 2 2 298.390 0.442 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961175827 613314852 /nfs/dbraw/zinc/31/48/52/613314852.db2.gz AQLXCIHNPAXCIP-LAQFHYBYSA-N 2 2 298.390 0.442 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000900595047 613365498 /nfs/dbraw/zinc/36/54/98/613365498.db2.gz VBGDRVRBYGJWLD-ZIAGYGMSSA-N 2 2 283.416 0.720 20 30 CCEDLP CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000957332123 613562561 /nfs/dbraw/zinc/56/25/61/613562561.db2.gz IQFBGDDYEKRBEA-AWEZNQCLSA-N 2 2 263.385 0.496 20 30 CCEDLP CC#CC[NH+]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957332123 613562562 /nfs/dbraw/zinc/56/25/62/613562562.db2.gz IQFBGDDYEKRBEA-AWEZNQCLSA-N 2 2 263.385 0.496 20 30 CCEDLP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962407849 613562620 /nfs/dbraw/zinc/56/26/20/613562620.db2.gz QXAPFWQVONUGKR-JYAVWHMHSA-N 2 2 274.368 0.883 20 30 CCEDLP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962407849 613562622 /nfs/dbraw/zinc/56/26/22/613562622.db2.gz QXAPFWQVONUGKR-JYAVWHMHSA-N 2 2 274.368 0.883 20 30 CCEDLP CC#CC[C@@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895100270 613650061 /nfs/dbraw/zinc/65/00/61/613650061.db2.gz RIVAIQVGDJHTAY-GJZGRUSLSA-N 2 2 266.385 0.604 20 30 CCEDLP C=CC[N@@H+](CCOC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903914361 613650673 /nfs/dbraw/zinc/65/06/73/613650673.db2.gz TWLSKYWXPDEADR-ZDUSSCGKSA-N 2 2 279.388 0.837 20 30 CCEDLP C=CC[N@H+](CCOC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903914361 613650674 /nfs/dbraw/zinc/65/06/74/613650674.db2.gz TWLSKYWXPDEADR-ZDUSSCGKSA-N 2 2 279.388 0.837 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972553167 613723710 /nfs/dbraw/zinc/72/37/10/613723710.db2.gz AOWGBNSQQQRCCM-HOCLYGCPSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972553167 613723711 /nfs/dbraw/zinc/72/37/11/613723711.db2.gz AOWGBNSQQQRCCM-HOCLYGCPSA-N 2 2 295.427 0.816 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000884314692 613877554 /nfs/dbraw/zinc/87/75/54/613877554.db2.gz RRFPJUPNWXXCEH-STQMWFEESA-N 2 2 297.399 0.376 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000884314691 613877613 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CC#CC[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989585083 633332791 /nfs/dbraw/zinc/33/27/91/633332791.db2.gz VJTJSMOMKOUOAA-UHFFFAOYSA-N 2 2 288.395 0.910 20 30 CCEDLP CC#CC[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989585083 633332794 /nfs/dbraw/zinc/33/27/94/633332794.db2.gz VJTJSMOMKOUOAA-UHFFFAOYSA-N 2 2 288.395 0.910 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014489998 650455633 /nfs/dbraw/zinc/45/56/33/650455633.db2.gz DRABXJRYXDOICR-CYBMUJFWSA-N 2 2 286.379 0.586 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014489998 650455636 /nfs/dbraw/zinc/45/56/36/650455636.db2.gz DRABXJRYXDOICR-CYBMUJFWSA-N 2 2 286.379 0.586 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001014778872 650487723 /nfs/dbraw/zinc/48/77/23/650487723.db2.gz ICJXDPFJITWWGT-CABCVRRESA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001014778872 650487726 /nfs/dbraw/zinc/48/77/26/650487726.db2.gz ICJXDPFJITWWGT-CABCVRRESA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)C1 ZINC001014778872 650487727 /nfs/dbraw/zinc/48/77/27/650487727.db2.gz ICJXDPFJITWWGT-CABCVRRESA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)C1 ZINC001014778872 650487729 /nfs/dbraw/zinc/48/77/29/650487729.db2.gz ICJXDPFJITWWGT-CABCVRRESA-N 2 2 277.412 0.931 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014795491 650488983 /nfs/dbraw/zinc/48/89/83/650488983.db2.gz AVFKHVTUJBRFJU-YNEHKIRRSA-N 2 2 272.352 0.727 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001014795491 650488985 /nfs/dbraw/zinc/48/89/85/650488985.db2.gz AVFKHVTUJBRFJU-YNEHKIRRSA-N 2 2 272.352 0.727 20 30 CCEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001016304456 650714520 /nfs/dbraw/zinc/71/45/20/650714520.db2.gz HMLNHXQMOALUIC-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001016304456 650714521 /nfs/dbraw/zinc/71/45/21/650714521.db2.gz HMLNHXQMOALUIC-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016304456 650714522 /nfs/dbraw/zinc/71/45/22/650714522.db2.gz HMLNHXQMOALUIC-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001016304456 650714524 /nfs/dbraw/zinc/71/45/24/650714524.db2.gz HMLNHXQMOALUIC-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016852486 650766337 /nfs/dbraw/zinc/76/63/37/650766337.db2.gz ZPCKOJFVBLRJOL-AWEZNQCLSA-N 2 2 286.379 0.946 20 30 CCEDLP C[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000852866999 644032467 /nfs/dbraw/zinc/03/24/67/644032467.db2.gz OYLDEILISBMLKY-KBPBESRZSA-N 2 2 293.411 0.215 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001020313855 651058724 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C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001121998104 799116932 /nfs/dbraw/zinc/11/69/32/799116932.db2.gz PVBSUDQQXXWMFE-OLZOCXBDSA-N 2 2 269.389 0.507 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C12CCC2 ZINC001203012901 799888525 /nfs/dbraw/zinc/88/85/25/799888525.db2.gz GOXKRSXTOSVOSJ-KBPBESRZSA-N 2 2 286.379 0.993 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C12CCC2 ZINC001203012901 799888530 /nfs/dbraw/zinc/88/85/30/799888530.db2.gz GOXKRSXTOSVOSJ-KBPBESRZSA-N 2 2 286.379 0.993 20 30 CCEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C#N)nc1 ZINC001140546210 799922196 /nfs/dbraw/zinc/92/21/96/799922196.db2.gz YTJWMVUMVHNKDN-UHFFFAOYSA-N 2 2 273.384 0.632 20 30 CCEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824401 800370515 /nfs/dbraw/zinc/37/05/15/800370515.db2.gz KZWRMUXNJCWYKY-AWEZNQCLSA-N 2 2 292.383 0.666 20 30 CCEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824401 800370523 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N#CCCN(Cc1cccnc1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157721051 801462824 /nfs/dbraw/zinc/46/28/24/801462824.db2.gz SMJBVPPNFXVCJH-FMKPAKJESA-N 2 2 299.378 0.546 20 30 CCEDLP N#Cc1cc(F)c(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158202931 801591730 /nfs/dbraw/zinc/59/17/30/801591730.db2.gz AJHVUOXBLYHFPC-MRVPVSSYSA-N 2 2 295.705 0.794 20 30 CCEDLP C=CCOCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537147 801832717 /nfs/dbraw/zinc/83/27/17/801832717.db2.gz MGRVSLKNNNMMEX-UHFFFAOYSA-N 2 2 280.372 0.641 20 30 CCEDLP C=CCOCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537147 801832725 /nfs/dbraw/zinc/83/27/25/801832725.db2.gz MGRVSLKNNNMMEX-UHFFFAOYSA-N 2 2 280.372 0.641 20 30 CCEDLP N#CCN(Cc1ccccc1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160667927 801994305 /nfs/dbraw/zinc/99/43/05/801994305.db2.gz OFOLEVPETLNSDI-GDBMZVCRSA-N 2 2 284.363 0.490 20 30 CCEDLP CCCCN(CC#N)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160728753 802012139 /nfs/dbraw/zinc/01/21/39/802012139.db2.gz GCRLEHFAXQWPLJ-DGCLKSJQSA-N 2 2 250.346 0.090 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161300107 802122500 /nfs/dbraw/zinc/12/25/00/802122500.db2.gz DVHFTBWEIAKQJO-LBPRGKRZSA-N 2 2 260.341 0.175 20 30 CCEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207444392 803402848 /nfs/dbraw/zinc/40/28/48/803402848.db2.gz SGKPXHCLPRUGEA-DGCLKSJQSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207444392 803402852 /nfs/dbraw/zinc/40/28/52/803402852.db2.gz SGKPXHCLPRUGEA-DGCLKSJQSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207444392 803402856 /nfs/dbraw/zinc/40/28/56/803402856.db2.gz SGKPXHCLPRUGEA-DGCLKSJQSA-N 2 2 262.357 0.965 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207444392 803402859 /nfs/dbraw/zinc/40/28/59/803402859.db2.gz SGKPXHCLPRUGEA-DGCLKSJQSA-N 2 2 262.357 0.965 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835764 803631701 /nfs/dbraw/zinc/63/17/01/803631701.db2.gz FCZWCSLNCHXVIQ-GFCCVEGCSA-N 2 2 260.341 0.556 20 30 CCEDLP C=CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001276686236 803654518 /nfs/dbraw/zinc/65/45/18/803654518.db2.gz FTMUGHKORJRPGW-ZDUSSCGKSA-N 2 2 262.357 0.633 20 30 CCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630727 803848807 /nfs/dbraw/zinc/84/88/07/803848807.db2.gz PQLALWDOOBNEMP-UKRRQHHQSA-N 2 2 288.395 0.813 20 30 CCEDLP Cn1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c(C#N)n1 ZINC001218670485 804074006 /nfs/dbraw/zinc/07/40/06/804074006.db2.gz XYOIOWASZVCXSU-LLVKDONJSA-N 2 2 284.323 0.503 20 30 CCEDLP N#Cc1ccnnc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218701703 804088874 /nfs/dbraw/zinc/08/88/74/804088874.db2.gz XPPCKKJFQPAZIX-GFCCVEGCSA-N 2 2 282.307 0.559 20 30 CCEDLP N#CCc1cccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218988204 804177257 /nfs/dbraw/zinc/17/72/57/804177257.db2.gz SIKRZFPTGSZBTL-CYBMUJFWSA-N 2 2 269.308 0.984 20 30 CCEDLP N#Cc1c[nH]c2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccc12 ZINC001219044732 804185846 /nfs/dbraw/zinc/18/58/46/804185846.db2.gz JDDWULCTKLZGRN-NSHDSACASA-N 2 2 257.297 0.654 20 30 CCEDLP N#CCc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ccc1F ZINC001219518435 804335208 /nfs/dbraw/zinc/33/52/08/804335208.db2.gz KPGXYHWFADGVDB-SKDRFNHKSA-N 2 2 262.288 0.519 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441408 804603744 /nfs/dbraw/zinc/60/37/44/804603744.db2.gz ASGUHOLFWHQJMM-MCIONIFRSA-N 2 2 292.383 0.572 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441408 804603749 /nfs/dbraw/zinc/60/37/49/804603749.db2.gz ASGUHOLFWHQJMM-MCIONIFRSA-N 2 2 292.383 0.572 20 30 CCEDLP N#Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220596877 804635093 /nfs/dbraw/zinc/63/50/93/804635093.db2.gz LROJGKKPFOZGNK-HONMWMINSA-N 2 2 270.336 0.351 20 30 CCEDLP CC(C)C[C@@H](C#N)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220700384 804652360 /nfs/dbraw/zinc/65/23/60/804652360.db2.gz GAYLCWMKVVNWSI-JQWIXIFHSA-N 2 2 263.345 0.344 20 30 CCEDLP C=CC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224958531 805095731 /nfs/dbraw/zinc/09/57/31/805095731.db2.gz WSOIMTZYKPMOET-UHFFFAOYSA-N 2 2 262.357 0.966 20 30 CCEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001277074671 805163476 /nfs/dbraw/zinc/16/34/76/805163476.db2.gz MNJWPDIBQIGQNH-HAQNSBGRSA-N 2 2 260.341 0.378 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001278390325 807060456 /nfs/dbraw/zinc/06/04/56/807060456.db2.gz GRVPBSQHOSKWHZ-KBPBESRZSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088749673 815127970 /nfs/dbraw/zinc/12/79/70/815127970.db2.gz IOAISPQWQDIVBK-OLZOCXBDSA-N 2 2 260.341 0.404 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001088749673 815127974 /nfs/dbraw/zinc/12/79/74/815127974.db2.gz IOAISPQWQDIVBK-OLZOCXBDSA-N 2 2 260.341 0.404 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042756440 815134194 /nfs/dbraw/zinc/13/41/94/815134194.db2.gz PWGXCLQCVQVMBU-ZFWWWQNUSA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042756440 815134198 /nfs/dbraw/zinc/13/41/98/815134198.db2.gz PWGXCLQCVQVMBU-ZFWWWQNUSA-N 2 2 293.411 0.568 20 30 CCEDLP C=C[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001253575516 808081587 /nfs/dbraw/zinc/08/15/87/808081587.db2.gz AWMGHSSHKWMQLV-JYJNAYRXSA-N 2 2 273.380 0.992 20 30 CCEDLP C=CCC[NH+]1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001278919787 808474378 /nfs/dbraw/zinc/47/43/78/808474378.db2.gz YZNPDJFLLLDNRP-UHFFFAOYSA-N 2 2 295.427 0.457 20 30 CCEDLP CC(C)[NH+]1CCC([NH2+][C@@H]2C(=O)N(O)C[C@@H]2C)CC1 ZINC001257210358 808598341 /nfs/dbraw/zinc/59/83/41/808598341.db2.gz LBAHQLJVVSDUPB-JQWIXIFHSA-N 2 2 255.362 0.685 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001264428650 809656720 /nfs/dbraw/zinc/65/67/20/809656720.db2.gz YIMDKZFVSBRZGJ-HDJSIYSDSA-N 2 2 274.368 0.781 20 30 CCEDLP C=CC[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001265858243 809877030 /nfs/dbraw/zinc/87/70/30/809877030.db2.gz AKGUBKYBASCQAL-NSHDSACASA-N 2 2 250.346 0.633 20 30 CCEDLP C#CC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001267570887 811460646 /nfs/dbraw/zinc/46/06/46/811460646.db2.gz GCRXDLLHNYEYSO-ZDUSSCGKSA-N 2 2 260.341 0.345 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001267570887 811460653 /nfs/dbraw/zinc/46/06/53/811460653.db2.gz GCRXDLLHNYEYSO-ZDUSSCGKSA-N 2 2 260.341 0.345 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267649171 811615161 /nfs/dbraw/zinc/61/51/61/811615161.db2.gz UCBFLHNYEJLGNC-UHFFFAOYSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267649171 811615166 /nfs/dbraw/zinc/61/51/66/811615166.db2.gz UCBFLHNYEJLGNC-UHFFFAOYSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083571513 815478878 /nfs/dbraw/zinc/47/88/78/815478878.db2.gz AIWCXEUTKOFZPN-MCIONIFRSA-N 2 2 281.400 0.208 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083571513 815478884 /nfs/dbraw/zinc/47/88/84/815478884.db2.gz AIWCXEUTKOFZPN-MCIONIFRSA-N 2 2 281.400 0.208 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966776 812174849 /nfs/dbraw/zinc/17/48/49/812174849.db2.gz UXWSTLSBHPOSJQ-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966776 812174853 /nfs/dbraw/zinc/17/48/53/812174853.db2.gz UXWSTLSBHPOSJQ-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966776 812174858 /nfs/dbraw/zinc/17/48/58/812174858.db2.gz UXWSTLSBHPOSJQ-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966776 812174863 /nfs/dbraw/zinc/17/48/63/812174863.db2.gz UXWSTLSBHPOSJQ-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001279294507 812368428 /nfs/dbraw/zinc/36/84/28/812368428.db2.gz HMGPSHVBCPIQGA-UHFFFAOYSA-N 2 2 260.341 0.555 20 30 CCEDLP C=CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001268226974 812384451 /nfs/dbraw/zinc/38/44/51/812384451.db2.gz GEATWOXVXJKSKR-LBPRGKRZSA-N 2 2 250.346 0.800 20 30 CCEDLP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001268263538 812429650 /nfs/dbraw/zinc/42/96/50/812429650.db2.gz CKXUNOYHOAUDSP-OCCSQVGLSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001268263538 812429655 /nfs/dbraw/zinc/42/96/55/812429655.db2.gz CKXUNOYHOAUDSP-OCCSQVGLSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268552335 812793982 /nfs/dbraw/zinc/79/39/82/812793982.db2.gz MCKBWGLJGGTCCZ-OPVGQWETSA-N 2 2 260.341 0.961 20 30 CCEDLP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268552335 812793988 /nfs/dbraw/zinc/79/39/88/812793988.db2.gz MCKBWGLJGGTCCZ-OPVGQWETSA-N 2 2 260.341 0.961 20 30 CCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268652382 812981605 /nfs/dbraw/zinc/98/16/05/812981605.db2.gz JKRTTZHMXPRZMU-OLZOCXBDSA-N 2 2 274.368 0.563 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001269192004 813258643 /nfs/dbraw/zinc/25/86/43/813258643.db2.gz IBAZVQOJZPWMGZ-GFCCVEGCSA-N 2 2 260.341 0.176 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001269192004 813258648 /nfs/dbraw/zinc/25/86/48/813258648.db2.gz IBAZVQOJZPWMGZ-GFCCVEGCSA-N 2 2 260.341 0.176 20 30 CCEDLP CC#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001269591579 813437204 /nfs/dbraw/zinc/43/72/04/813437204.db2.gz ADTOWBDUJNAXTF-UHFFFAOYSA-N 2 2 274.368 0.925 20 30 CCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796451 813520857 /nfs/dbraw/zinc/52/08/57/813520857.db2.gz AYOYWDXKFXFTFX-CHWSQXEVSA-N 2 2 286.379 0.901 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001028796451 813520863 /nfs/dbraw/zinc/52/08/63/813520863.db2.gz AYOYWDXKFXFTFX-CHWSQXEVSA-N 2 2 286.379 0.901 20 30 CCEDLP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001270435711 813761710 /nfs/dbraw/zinc/76/17/10/813761710.db2.gz GISCJOJKFJSJAC-KBPBESRZSA-N 2 2 288.395 0.811 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001279136885 814013618 /nfs/dbraw/zinc/01/36/18/814013618.db2.gz BYSCIMUKIIWGIX-UONOGXRCSA-N 2 2 274.368 0.591 20 30 CCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001271380201 814398405 /nfs/dbraw/zinc/39/84/05/814398405.db2.gz GZLGWAQHLWCQFW-UHFFFAOYSA-N 2 2 283.416 0.457 20 30 CCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001271380201 814398414 /nfs/dbraw/zinc/39/84/14/814398414.db2.gz GZLGWAQHLWCQFW-UHFFFAOYSA-N 2 2 283.416 0.457 20 30 CCEDLP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001271548685 814472989 /nfs/dbraw/zinc/47/29/89/814472989.db2.gz FQBDOOYOYUMRHU-KBPBESRZSA-N 2 2 288.395 0.813 20 30 CCEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001088414045 814677718 /nfs/dbraw/zinc/67/77/18/814677718.db2.gz VTTDYAYDBDYMML-AWEZNQCLSA-N 2 2 288.395 0.957 20 30 CCEDLP CC#CC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001120504944 816099545 /nfs/dbraw/zinc/09/95/45/816099545.db2.gz WBVSPEZRMJMPPB-IAGOWNOFSA-N 2 2 290.407 0.843 20 30 CCEDLP CC#CC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001120504944 816099552 /nfs/dbraw/zinc/09/95/52/816099552.db2.gz WBVSPEZRMJMPPB-IAGOWNOFSA-N 2 2 290.407 0.843 20 30 CCEDLP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001272452848 816442456 /nfs/dbraw/zinc/44/24/56/816442456.db2.gz JQJWDJXTFWSGFG-OCCSQVGLSA-N 2 2 292.383 0.088 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089880439 817645393 /nfs/dbraw/zinc/64/53/93/817645393.db2.gz LJAGVHVLFKNALZ-XQLPTFJDSA-N 2 2 298.390 0.754 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001089880439 817645398 /nfs/dbraw/zinc/64/53/98/817645398.db2.gz LJAGVHVLFKNALZ-XQLPTFJDSA-N 2 2 298.390 0.754 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107817631 818031525 /nfs/dbraw/zinc/03/15/25/818031525.db2.gz VAUKQFLTVBQIDX-HOCLYGCPSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107817631 818031532 /nfs/dbraw/zinc/03/15/32/818031532.db2.gz VAUKQFLTVBQIDX-HOCLYGCPSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107817631 818031535 /nfs/dbraw/zinc/03/15/35/818031535.db2.gz VAUKQFLTVBQIDX-HOCLYGCPSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107817631 818031544 /nfs/dbraw/zinc/03/15/44/818031544.db2.gz VAUKQFLTVBQIDX-HOCLYGCPSA-N 2 2 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CCEDLP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001035416710 819520186 /nfs/dbraw/zinc/52/01/86/819520186.db2.gz MVDXLQUAODYWJV-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035416710 819520190 /nfs/dbraw/zinc/52/01/90/819520190.db2.gz MVDXLQUAODYWJV-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035416710 819520194 /nfs/dbraw/zinc/52/01/94/819520194.db2.gz MVDXLQUAODYWJV-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035416710 819520198 /nfs/dbraw/zinc/52/01/98/819520198.db2.gz MVDXLQUAODYWJV-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001036194100 819703586 /nfs/dbraw/zinc/70/35/86/819703586.db2.gz OZSHZSZPMPKHAQ-DGCLKSJQSA-N 2 2 260.341 0.412 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082134076 820906339 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CCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086392375 822235683 /nfs/dbraw/zinc/23/56/83/822235683.db2.gz KULIIYGMLNZIDZ-FDYHWXHSSA-N 2 2 272.352 0.631 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086392375 822235691 /nfs/dbraw/zinc/23/56/91/822235691.db2.gz KULIIYGMLNZIDZ-FDYHWXHSSA-N 2 2 272.352 0.631 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086406605 822240437 /nfs/dbraw/zinc/24/04/37/822240437.db2.gz KWYGQQBWDBNZIB-IHRRRGAJSA-N 2 2 286.379 0.563 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)no1 ZINC001129762065 837554354 /nfs/dbraw/zinc/55/43/54/837554354.db2.gz FVPXDDXTNFSROT-AWEZNQCLSA-N 2 2 290.367 0.286 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)no1 ZINC001129762065 837554366 /nfs/dbraw/zinc/55/43/66/837554366.db2.gz FVPXDDXTNFSROT-AWEZNQCLSA-N 2 2 290.367 0.286 20 30 CCEDLP C#CCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484138 837808060 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N#Cc1ccc(Cl)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169075014 836128884 /nfs/dbraw/zinc/12/88/84/836128884.db2.gz FHOYLARPJNCPPO-MRVPVSSYSA-N 2 2 277.715 0.654 20 30 CCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133192087 838572275 /nfs/dbraw/zinc/57/22/75/838572275.db2.gz YUBYBZYJNDFJHY-STQMWFEESA-N 2 2 274.368 0.660 20 30 CCEDLP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944397 839475512 /nfs/dbraw/zinc/47/55/12/839475512.db2.gz JCUHWWAEVDOMDG-STQMWFEESA-N 2 2 276.384 0.859 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036830652 841337153 /nfs/dbraw/zinc/33/71/53/841337153.db2.gz YULIARCGKONSBI-HIFRSBDPSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036830652 841337163 /nfs/dbraw/zinc/33/71/63/841337163.db2.gz YULIARCGKONSBI-HIFRSBDPSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851554 841397070 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C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193601553 846138340 /nfs/dbraw/zinc/13/83/40/846138340.db2.gz IUGIFEGRJNGMIX-ZIAGYGMSSA-N 2 2 292.383 0.470 20 30 CCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193601553 846138346 /nfs/dbraw/zinc/13/83/46/846138346.db2.gz IUGIFEGRJNGMIX-ZIAGYGMSSA-N 2 2 292.383 0.470 20 30 CCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193601553 846138349 /nfs/dbraw/zinc/13/83/49/846138349.db2.gz IUGIFEGRJNGMIX-ZIAGYGMSSA-N 2 2 292.383 0.470 20 30 CCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193601553 846138353 /nfs/dbraw/zinc/13/83/53/846138353.db2.gz IUGIFEGRJNGMIX-ZIAGYGMSSA-N 2 2 292.383 0.470 20 30 CCEDLP C#CCCCNC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001199361124 847309691 /nfs/dbraw/zinc/30/96/91/847309691.db2.gz RNPPRRRIDFLDGO-UHFFFAOYSA-N 2 2 286.379 0.977 20 30 CCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201103494 847721191 /nfs/dbraw/zinc/72/11/91/847721191.db2.gz GYXMMZSSVYSBIF-AWEZNQCLSA-N 2 2 290.367 0.114 20 30 CCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202218184 847869560 /nfs/dbraw/zinc/86/95/60/847869560.db2.gz VKIGQHUPDQDQFZ-AWEZNQCLSA-N 2 2 290.367 0.114 20 30 CCEDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(C#N)nc1)C2 ZINC001275295704 848687858 /nfs/dbraw/zinc/68/78/58/848687858.db2.gz JYGYJXREVQBDMS-UHFFFAOYSA-N 2 2 285.395 0.632 20 30 CCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652023 849346922 /nfs/dbraw/zinc/34/69/22/849346922.db2.gz GAJRMFDHGQYEPW-NHAGDIPZSA-N 2 2 272.352 0.343 20 30 CCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652023 849346930 /nfs/dbraw/zinc/34/69/30/849346930.db2.gz GAJRMFDHGQYEPW-NHAGDIPZSA-N 2 2 272.352 0.343 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039618 850133264 /nfs/dbraw/zinc/13/32/64/850133264.db2.gz OGKYUDCOWMZRDC-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039039618 850133254 /nfs/dbraw/zinc/13/32/54/850133254.db2.gz OGKYUDCOWMZRDC-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039039618 850133261 /nfs/dbraw/zinc/13/32/61/850133261.db2.gz OGKYUDCOWMZRDC-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001039039618 850133274 /nfs/dbraw/zinc/13/32/74/850133274.db2.gz OGKYUDCOWMZRDC-KBPBESRZSA-N 2 2 281.400 0.474 20 30 CCEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040465050 850294442 /nfs/dbraw/zinc/29/44/42/850294442.db2.gz UNQYONMRGXRERV-MRXNPFEDSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001040465050 850294452 /nfs/dbraw/zinc/29/44/52/850294452.db2.gz UNQYONMRGXRERV-MRXNPFEDSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001044842590 851167153 /nfs/dbraw/zinc/16/71/53/851167153.db2.gz RGBXZFMFCIUWPC-AAEUAGOBSA-N 2 2 274.368 0.863 20 30 CCEDLP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046846384 851628036 /nfs/dbraw/zinc/62/80/36/851628036.db2.gz USUGQCMDROLQMI-ZBFHGGJFSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046846384 851628039 /nfs/dbraw/zinc/62/80/39/851628039.db2.gz USUGQCMDROLQMI-ZBFHGGJFSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046846384 851628043 /nfs/dbraw/zinc/62/80/43/851628043.db2.gz USUGQCMDROLQMI-ZBFHGGJFSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046846384 851628046 /nfs/dbraw/zinc/62/80/46/851628046.db2.gz USUGQCMDROLQMI-ZBFHGGJFSA-N 2 2 293.411 0.311 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071994323 854331101 /nfs/dbraw/zinc/33/11/01/854331101.db2.gz FDEZULUILQHQKC-KBPBESRZSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071994323 854331103 /nfs/dbraw/zinc/33/11/03/854331103.db2.gz FDEZULUILQHQKC-KBPBESRZSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071994324 854332118 /nfs/dbraw/zinc/33/21/18/854332118.db2.gz FDEZULUILQHQKC-KGLIPLIRSA-N 2 2 288.395 0.955 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071994324 854332122 /nfs/dbraw/zinc/33/21/22/854332122.db2.gz FDEZULUILQHQKC-KGLIPLIRSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864810 854481930 /nfs/dbraw/zinc/48/19/30/854481930.db2.gz SLOFUVHBOLAVFQ-AWEZNQCLSA-N 2 2 298.390 0.613 20 30 CCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001072864810 854481935 /nfs/dbraw/zinc/48/19/35/854481935.db2.gz SLOFUVHBOLAVFQ-AWEZNQCLSA-N 2 2 298.390 0.613 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804007 855000083 /nfs/dbraw/zinc/00/00/83/855000083.db2.gz GNQFRKDORZKBSJ-STQMWFEESA-N 2 2 292.383 0.470 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099927410 855034501 /nfs/dbraw/zinc/03/45/01/855034501.db2.gz BGHKEXGBJCMPOP-CHWSQXEVSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099927410 855034509 /nfs/dbraw/zinc/03/45/09/855034509.db2.gz BGHKEXGBJCMPOP-CHWSQXEVSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099927413 855035035 /nfs/dbraw/zinc/03/50/35/855035035.db2.gz BGHKEXGBJCMPOP-STQMWFEESA-N 2 2 292.383 0.090 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099927413 855035037 /nfs/dbraw/zinc/03/50/37/855035037.db2.gz BGHKEXGBJCMPOP-STQMWFEESA-N 2 2 292.383 0.090 20 30 CCEDLP C=CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094725 855097464 /nfs/dbraw/zinc/09/74/64/855097464.db2.gz REJPDFALBIGLTO-KBPBESRZSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094725 855097468 /nfs/dbraw/zinc/09/74/68/855097468.db2.gz REJPDFALBIGLTO-KBPBESRZSA-N 2 2 292.383 0.090 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514835 855442337 /nfs/dbraw/zinc/44/23/37/855442337.db2.gz PXNMXJARGHEIMB-CHWSQXEVSA-N 2 2 274.368 0.280 20 30 CCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514835 855442343 /nfs/dbraw/zinc/44/23/43/855442343.db2.gz PXNMXJARGHEIMB-CHWSQXEVSA-N 2 2 274.368 0.280 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677011 855525072 /nfs/dbraw/zinc/52/50/72/855525072.db2.gz FSFAXYIZYOBCDT-TZMCWYRMSA-N 2 2 288.395 0.968 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001103677011 855525074 /nfs/dbraw/zinc/52/50/74/855525074.db2.gz FSFAXYIZYOBCDT-TZMCWYRMSA-N 2 2 288.395 0.968 20 30 CCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115338502 855662824 /nfs/dbraw/zinc/66/28/24/855662824.db2.gz MCTUXCWTIVXLIT-NHAGDIPZSA-N 2 2 272.352 0.343 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115338502 855662829 /nfs/dbraw/zinc/66/28/29/855662829.db2.gz MCTUXCWTIVXLIT-NHAGDIPZSA-N 2 2 272.352 0.343 20 30 CCEDLP C#CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001481173992 892271738 /nfs/dbraw/zinc/27/17/38/892271738.db2.gz OGXHFVLUPMORTL-CQSZACIVSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001481173992 892271751 /nfs/dbraw/zinc/27/17/51/892271751.db2.gz OGXHFVLUPMORTL-CQSZACIVSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001481173992 892271766 /nfs/dbraw/zinc/27/17/66/892271766.db2.gz OGXHFVLUPMORTL-CQSZACIVSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001481173992 892271782 /nfs/dbraw/zinc/27/17/82/892271782.db2.gz OGXHFVLUPMORTL-CQSZACIVSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCC[NH+]1CC(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001481589393 892875165 /nfs/dbraw/zinc/87/51/65/892875165.db2.gz SKADVDVWDWYDOS-UHFFFAOYSA-N 2 2 293.411 0.313 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481775187 893136661 /nfs/dbraw/zinc/13/66/61/893136661.db2.gz LHSVOXWIXNOGAG-CQSZACIVSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481775187 893136668 /nfs/dbraw/zinc/13/66/68/893136668.db2.gz LHSVOXWIXNOGAG-CQSZACIVSA-N 2 2 274.368 0.898 20 30 CCEDLP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482269200 893719875 /nfs/dbraw/zinc/71/98/75/893719875.db2.gz LTAHVBFGFOEDHI-NWDGAFQWSA-N 2 2 289.807 0.506 20 30 CCEDLP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484357485 896356351 /nfs/dbraw/zinc/35/63/51/896356351.db2.gz IHVOGCJZHZRKFP-QWHCGFSZSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484357483 896356494 /nfs/dbraw/zinc/35/64/94/896356494.db2.gz IHVOGCJZHZRKFP-CHWSQXEVSA-N 2 2 262.357 0.896 20 30 CCEDLP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001485053395 896741230 /nfs/dbraw/zinc/74/12/30/896741230.db2.gz ASUNJSJDCSHSLW-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001485053395 896741240 /nfs/dbraw/zinc/74/12/40/896741240.db2.gz ASUNJSJDCSHSLW-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485053395 896741246 /nfs/dbraw/zinc/74/12/46/896741246.db2.gz ASUNJSJDCSHSLW-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001485053395 896741252 /nfs/dbraw/zinc/74/12/52/896741252.db2.gz ASUNJSJDCSHSLW-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032522064 897700813 /nfs/dbraw/zinc/70/08/13/897700813.db2.gz RINDVPVTMSDIJD-KBPBESRZSA-N 2 2 272.352 0.500 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032522064 897700826 /nfs/dbraw/zinc/70/08/26/897700826.db2.gz RINDVPVTMSDIJD-KBPBESRZSA-N 2 2 272.352 0.500 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001032589107 897785125 /nfs/dbraw/zinc/78/51/25/897785125.db2.gz YENDWDHXLGPIEY-KKUMJFAQSA-N 2 2 291.395 0.014 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001032589107 897785133 /nfs/dbraw/zinc/78/51/33/897785133.db2.gz YENDWDHXLGPIEY-KKUMJFAQSA-N 2 2 291.395 0.014 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032589107 897785141 /nfs/dbraw/zinc/78/51/41/897785141.db2.gz YENDWDHXLGPIEY-KKUMJFAQSA-N 2 2 291.395 0.014 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032589107 897785149 /nfs/dbraw/zinc/78/51/49/897785149.db2.gz YENDWDHXLGPIEY-KKUMJFAQSA-N 2 2 291.395 0.014 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705986 897948770 /nfs/dbraw/zinc/94/87/70/897948770.db2.gz UDXSZTWKOAPNTR-KBPBESRZSA-N 2 2 291.395 0.016 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705986 897948775 /nfs/dbraw/zinc/94/87/75/897948775.db2.gz UDXSZTWKOAPNTR-KBPBESRZSA-N 2 2 291.395 0.016 20 30 CCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998844 898053054 /nfs/dbraw/zinc/05/30/54/898053054.db2.gz SYLCHYOAVFONMA-GDBMZVCRSA-N 2 2 295.427 0.720 20 30 CCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998844 898053065 /nfs/dbraw/zinc/05/30/65/898053065.db2.gz SYLCHYOAVFONMA-GDBMZVCRSA-N 2 2 295.427 0.720 20 30 CCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197001087 900059972 /nfs/dbraw/zinc/05/99/72/900059972.db2.gz SFWYVQUUAJDQJG-HUUCEWRRSA-N 2 2 295.427 0.293 20 30 CCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197001087 900059985 /nfs/dbraw/zinc/05/99/85/900059985.db2.gz SFWYVQUUAJDQJG-HUUCEWRRSA-N 2 2 295.427 0.293 20 30 CCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197001087 900060007 /nfs/dbraw/zinc/06/00/07/900060007.db2.gz SFWYVQUUAJDQJG-HUUCEWRRSA-N 2 2 295.427 0.293 20 30 CCEDLP C=CCCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001318011723 900787257 /nfs/dbraw/zinc/78/72/57/900787257.db2.gz NQVKNBXDWBLKFW-CYBMUJFWSA-N 2 2 267.373 0.084 20 30 CCEDLP C=CCCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001318011723 900787262 /nfs/dbraw/zinc/78/72/62/900787262.db2.gz NQVKNBXDWBLKFW-CYBMUJFWSA-N 2 2 267.373 0.084 20 30 CCEDLP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001283692551 904965970 /nfs/dbraw/zinc/96/59/70/904965970.db2.gz RAGFBBLJCJCWDD-VXGBXAGGSA-N 2 2 262.357 0.658 20 30 CCEDLP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001283692551 904965980 /nfs/dbraw/zinc/96/59/80/904965980.db2.gz RAGFBBLJCJCWDD-VXGBXAGGSA-N 2 2 262.357 0.658 20 30 CCEDLP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284221337 905205116 /nfs/dbraw/zinc/20/51/16/905205116.db2.gz UPPPLMQNCKRUGU-CHWSQXEVSA-N 2 2 274.368 0.850 20 30 CCEDLP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001284520593 905357214 /nfs/dbraw/zinc/35/72/14/905357214.db2.gz VGZVERFRJVVRIL-CQSZACIVSA-N 2 2 292.383 0.048 20 30 CCEDLP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001284520593 905357203 /nfs/dbraw/zinc/35/72/03/905357203.db2.gz VGZVERFRJVVRIL-CQSZACIVSA-N 2 2 292.383 0.048 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNc1nnccc1C#N ZINC001337220102 921219694 /nfs/dbraw/zinc/21/96/94/921219694.db2.gz GNULSZJGLRPQAA-UHFFFAOYSA-N 2 2 262.361 0.644 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNc1nnccc1C#N ZINC001337220102 921219700 /nfs/dbraw/zinc/21/97/00/921219700.db2.gz GNULSZJGLRPQAA-UHFFFAOYSA-N 2 2 262.361 0.644 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317340145 908164051 /nfs/dbraw/zinc/16/40/51/908164051.db2.gz KCBRZUZDPOFCHY-ZIAGYGMSSA-N 2 2 274.368 0.906 20 30 CCEDLP C=CC[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001317030097 908932158 /nfs/dbraw/zinc/93/21/58/908932158.db2.gz YXJIOXBKFYWMIX-ZDUSSCGKSA-N 2 2 262.357 0.931 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317160710 909022884 /nfs/dbraw/zinc/02/28/84/909022884.db2.gz ZVZDEBWDKITXIC-LBPRGKRZSA-N 2 2 260.341 0.414 20 30 CCEDLP C=CC[NH+]1CCC([NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC001319201869 910034038 /nfs/dbraw/zinc/03/40/38/910034038.db2.gz ZMLRODIAFHDCCX-UHFFFAOYSA-N 2 2 266.389 0.770 20 30 CCEDLP COCC#CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001328743576 915402962 /nfs/dbraw/zinc/40/29/62/915402962.db2.gz ALABXWUCZBUGOG-UHFFFAOYSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001329358324 915836549 /nfs/dbraw/zinc/83/65/49/915836549.db2.gz MHOHGZSAQVOYFI-UHFFFAOYSA-N 2 2 276.384 0.981 20 30 CCEDLP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001332529589 918255702 /nfs/dbraw/zinc/25/57/02/918255702.db2.gz OYZTVMKBAKMFLS-OLZOCXBDSA-N 2 2 292.383 0.040 20 30 CCEDLP C=CC(C)(C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353468454 925843087 /nfs/dbraw/zinc/84/30/87/925843087.db2.gz WFFMZCXQTKTZKU-UHFFFAOYSA-N 2 2 254.378 0.673 20 30 CCEDLP C#CC[NH2+]CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001357361081 926516782 /nfs/dbraw/zinc/51/67/82/926516782.db2.gz DJSMQJAEBHLRIY-UHFFFAOYSA-N 2 2 260.341 0.101 20 30 CCEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600724184 362045735 /nfs/dbraw/zinc/04/57/35/362045735.db2.gz FXSWSNUWHXSJHU-KBPBESRZSA-N 2 2 281.400 0.742 20 30 CCEDLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600724184 362045738 /nfs/dbraw/zinc/04/57/38/362045738.db2.gz FXSWSNUWHXSJHU-KBPBESRZSA-N 2 2 281.400 0.742 20 30 CCEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000600770409 362058795 /nfs/dbraw/zinc/05/87/95/362058795.db2.gz YQBBCBRNGBVPHQ-GFCCVEGCSA-N 2 2 288.351 0.547 20 30 CCEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000600770409 362058797 /nfs/dbraw/zinc/05/87/97/362058797.db2.gz YQBBCBRNGBVPHQ-GFCCVEGCSA-N 2 2 288.351 0.547 20 30 CCEDLP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602609660 362711655 /nfs/dbraw/zinc/71/16/55/362711655.db2.gz FEZWDZBFXAFQFS-UHFFFAOYSA-N 2 2 274.368 0.890 20 30 CCEDLP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)CC#N)CC1 ZINC000602865207 362848956 /nfs/dbraw/zinc/84/89/56/362848956.db2.gz UQNZLCBUVXNAEL-LLVKDONJSA-N 2 2 252.362 0.479 20 30 CCEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000078254971 349130901 /nfs/dbraw/zinc/13/09/01/349130901.db2.gz WMYSYUWYGCSMIY-UHFFFAOYSA-N 2 2 287.367 0.047 20 30 CCEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000078254971 349130904 /nfs/dbraw/zinc/13/09/04/349130904.db2.gz WMYSYUWYGCSMIY-UHFFFAOYSA-N 2 2 287.367 0.047 20 30 CCEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329505068 354257797 /nfs/dbraw/zinc/25/77/97/354257797.db2.gz AHKGRNLSPXRBGS-QWHCGFSZSA-N 2 2 293.371 0.120 20 30 CCEDLP Cc1[nH+]ccn1CC[NH+]=C([O-])N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329505068 354257799 /nfs/dbraw/zinc/25/77/99/354257799.db2.gz AHKGRNLSPXRBGS-QWHCGFSZSA-N 2 2 293.371 0.120 20 30 CCEDLP Cc1[nH+]ccn1CCNC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329505068 354257800 /nfs/dbraw/zinc/25/78/00/354257800.db2.gz AHKGRNLSPXRBGS-QWHCGFSZSA-N 2 2 293.371 0.120 20 30 CCEDLP Cc1[nH+]ccn1CCNC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329505068 354257801 /nfs/dbraw/zinc/25/78/01/354257801.db2.gz AHKGRNLSPXRBGS-QWHCGFSZSA-N 2 2 293.371 0.120 20 30 CCEDLP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCn2c[nH+]cc2C1 ZINC000329682692 354259222 /nfs/dbraw/zinc/25/92/22/354259222.db2.gz XLXDYTNZYMKXCS-LLVKDONJSA-N 2 2 286.339 0.824 20 30 CCEDLP C[N@@H+]1CC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000609257017 363479344 /nfs/dbraw/zinc/47/93/44/363479344.db2.gz LHRZODOPQFVRSP-AWEZNQCLSA-N 2 2 294.399 0.013 20 30 CCEDLP C[N@H+]1CC[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000609257017 363479347 /nfs/dbraw/zinc/47/93/47/363479347.db2.gz LHRZODOPQFVRSP-AWEZNQCLSA-N 2 2 294.399 0.013 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000490778323 358290993 /nfs/dbraw/zinc/29/09/93/358290993.db2.gz DFZAIFQJWRVZJB-HUUCEWRRSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000490778323 358290995 /nfs/dbraw/zinc/29/09/95/358290995.db2.gz DFZAIFQJWRVZJB-HUUCEWRRSA-N 2 2 277.412 0.884 20 30 CCEDLP Cc1c(C#N)cccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568486716 358677114 /nfs/dbraw/zinc/67/71/14/358677114.db2.gz BEJRRNJBPCTTBV-CYBMUJFWSA-N 2 2 287.367 0.973 20 30 CCEDLP Cc1c(C#N)cccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568486716 358677117 /nfs/dbraw/zinc/67/71/17/358677117.db2.gz BEJRRNJBPCTTBV-CYBMUJFWSA-N 2 2 287.367 0.973 20 30 CCEDLP CC[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000593465802 360094203 /nfs/dbraw/zinc/09/42/03/360094203.db2.gz UAMCDGYSHWHBNN-CHWSQXEVSA-N 2 2 278.400 0.821 20 30 CCEDLP CC[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000593465802 360094207 /nfs/dbraw/zinc/09/42/07/360094207.db2.gz UAMCDGYSHWHBNN-CHWSQXEVSA-N 2 2 278.400 0.821 20 30 CCEDLP C[N@@H+]1CCN(C(=O)CC2(C#N)CCCCC2)[C@H](C[NH3+])C1 ZINC000595924524 360705693 /nfs/dbraw/zinc/70/56/93/360705693.db2.gz LYCTVGAOSKJNKS-CYBMUJFWSA-N 2 2 278.400 0.952 20 30 CCEDLP C[N@H+]1CCN(C(=O)CC2(C#N)CCCCC2)[C@H](C[NH3+])C1 ZINC000595924524 360705696 /nfs/dbraw/zinc/70/56/96/360705696.db2.gz LYCTVGAOSKJNKS-CYBMUJFWSA-N 2 2 278.400 0.952 20 30 CCEDLP C#CC[NH+](CC#C)CCOCC[NH+](CC#C)CC#C ZINC000178726907 189140803 /nfs/dbraw/zinc/14/08/03/189140803.db2.gz HMDCYGPPNCOMMJ-UHFFFAOYSA-N 2 2 256.349 0.140 20 30 CCEDLP Cn1cc(C#N)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596453992 360899200 /nfs/dbraw/zinc/89/92/00/360899200.db2.gz PVWJSWRVDQAPJA-UHFFFAOYSA-N 2 2 291.399 0.510 20 30 CCEDLP Cn1cc(C#N)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596453992 360899202 /nfs/dbraw/zinc/89/92/02/360899202.db2.gz PVWJSWRVDQAPJA-UHFFFAOYSA-N 2 2 291.399 0.510 20 30 CCEDLP C[C@@H](C#N)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611623859 363751035 /nfs/dbraw/zinc/75/10/35/363751035.db2.gz DFQYRYBIRHLYLB-QWHCGFSZSA-N 2 2 293.415 0.614 20 30 CCEDLP C[C@@H](C#N)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611623859 363751041 /nfs/dbraw/zinc/75/10/41/363751041.db2.gz DFQYRYBIRHLYLB-QWHCGFSZSA-N 2 2 293.415 0.614 20 30 CCEDLP C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C[NH+]1CCOCC1 ZINC000598721507 361495750 /nfs/dbraw/zinc/49/57/50/361495750.db2.gz VASRCBNFMWSQPG-KBPBESRZSA-N 2 2 283.416 0.845 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000598593892 361453406 /nfs/dbraw/zinc/45/34/06/361453406.db2.gz WLNZZZQYHGATMB-HUUCEWRRSA-N 2 2 295.427 0.941 20 30 CCEDLP CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000598593892 361453408 /nfs/dbraw/zinc/45/34/08/361453408.db2.gz WLNZZZQYHGATMB-HUUCEWRRSA-N 2 2 295.427 0.941 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639762120 375988910 /nfs/dbraw/zinc/98/89/10/375988910.db2.gz GMFZUQWYPQAPNB-HIFRSBDPSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639762120 375988914 /nfs/dbraw/zinc/98/89/14/375988914.db2.gz GMFZUQWYPQAPNB-HIFRSBDPSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000337131510 389046535 /nfs/dbraw/zinc/04/65/35/389046535.db2.gz ACEYLHNZAZZJOI-STQMWFEESA-N 2 2 251.374 0.657 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000337131510 389046540 /nfs/dbraw/zinc/04/65/40/389046540.db2.gz ACEYLHNZAZZJOI-STQMWFEESA-N 2 2 251.374 0.657 20 30 CCEDLP C=CCC[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000320198410 389121407 /nfs/dbraw/zinc/12/14/07/389121407.db2.gz CFVBVUPXTQBGCY-NSHDSACASA-N 2 2 252.362 0.903 20 30 CCEDLP CN(C)c1nc(N2CC[NH+](CCCC#N)CC2)cc[nH+]1 ZINC000330366436 389221618 /nfs/dbraw/zinc/22/16/18/389221618.db2.gz QPYKFVKQXUBOQI-UHFFFAOYSA-N 2 2 274.372 0.968 20 30 CCEDLP CNC(=[NH2+])NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264068365 389304897 /nfs/dbraw/zinc/30/48/97/389304897.db2.gz CFNNUTBGQBWSNL-UHFFFAOYSA-N 2 2 291.399 0.351 20 30 CCEDLP COCCNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264104310 389307101 /nfs/dbraw/zinc/30/71/01/389307101.db2.gz PAJWFVLBAOPNBX-NSHDSACASA-N 2 2 270.402 0.902 20 30 CCEDLP C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000491743112 390116512 /nfs/dbraw/zinc/11/65/12/390116512.db2.gz MDZGXMLMYJRIEQ-OAHLLOKOSA-N 2 2 293.411 0.170 20 30 CCEDLP C#CCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000491743112 390116513 /nfs/dbraw/zinc/11/65/13/390116513.db2.gz MDZGXMLMYJRIEQ-OAHLLOKOSA-N 2 2 293.411 0.170 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+](C2CC2)C2CC[NH2+]CC2)C1=O ZINC000647815048 390179336 /nfs/dbraw/zinc/17/93/36/390179336.db2.gz MUXBMPPCHVIPCZ-CQSZACIVSA-N 2 2 263.385 0.990 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+](C2CC2)C2CC[NH2+]CC2)C1=O ZINC000647815048 390179341 /nfs/dbraw/zinc/17/93/41/390179341.db2.gz MUXBMPPCHVIPCZ-CQSZACIVSA-N 2 2 263.385 0.990 20 30 CCEDLP C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000649353883 390604352 /nfs/dbraw/zinc/60/43/52/390604352.db2.gz BLWVEXNNZONJEX-ZIAGYGMSSA-N 2 2 281.400 0.162 20 30 CCEDLP C=C(C)[C@@H](CO)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000649353883 390604357 /nfs/dbraw/zinc/60/43/57/390604357.db2.gz BLWVEXNNZONJEX-ZIAGYGMSSA-N 2 2 281.400 0.162 20 30 CCEDLP C=CC[C@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662684288 414741137 /nfs/dbraw/zinc/74/11/37/414741137.db2.gz ZMFFKIRBMGZKNC-UKRRQHHQSA-N 2 2 281.400 0.522 20 30 CCEDLP C[NH+]=C(NCc1c(C)noc1C)NC[C@H]1C[N@H+](C)CCO1 ZINC000156460138 261123711 /nfs/dbraw/zinc/12/37/11/261123711.db2.gz NOAXCVBLQMUMPA-LBPRGKRZSA-N 2 2 295.387 0.287 20 30 CCEDLP C[NH+]=C(NCc1c(C)noc1C)NC[C@H]1C[N@@H+](C)CCO1 ZINC000156460138 261123714 /nfs/dbraw/zinc/12/37/14/261123714.db2.gz NOAXCVBLQMUMPA-LBPRGKRZSA-N 2 2 295.387 0.287 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000490761915 261202649 /nfs/dbraw/zinc/20/26/49/261202649.db2.gz YBIFVMLJUXSLOA-HNNXBMFYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCCOC2)CC1 ZINC000490761915 261202651 /nfs/dbraw/zinc/20/26/51/261202651.db2.gz YBIFVMLJUXSLOA-HNNXBMFYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(COC)CC2)CC1 ZINC000490851956 261228408 /nfs/dbraw/zinc/22/84/08/261228408.db2.gz IZKVCTFCCJAOHS-UHFFFAOYSA-N 2 2 293.411 0.122 20 30 CCEDLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000576816647 335250615 /nfs/dbraw/zinc/25/06/15/335250615.db2.gz ZIAPECHOZIVQNH-HNNXBMFYSA-N 2 2 276.384 0.729 20 30 CCEDLP Cn1ncnc1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267103127 328172667 /nfs/dbraw/zinc/17/26/67/328172667.db2.gz PHYITYFHDIAXJA-UHFFFAOYSA-N 2 2 288.355 0.714 20 30 CCEDLP C[C@@H](CNC[C@H](O)C[N@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000564847471 327011328 /nfs/dbraw/zinc/01/13/28/327011328.db2.gz NLCGEISQPKOKID-HOTGVXAUSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](CNC[C@H](O)C[N@@H+](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000564847471 327011329 /nfs/dbraw/zinc/01/13/29/327011329.db2.gz NLCGEISQPKOKID-HOTGVXAUSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)C[NH+](C)CCC#N ZINC000577602670 327275853 /nfs/dbraw/zinc/27/58/53/327275853.db2.gz JOLFXTBQPOSPEC-PMPSAXMXSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)C[NH+](C)CCC#N ZINC000577602670 327275854 /nfs/dbraw/zinc/27/58/54/327275854.db2.gz JOLFXTBQPOSPEC-PMPSAXMXSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC[C@H](O)C[N@H+](C)CCC#N ZINC000577602670 327275855 /nfs/dbraw/zinc/27/58/55/327275855.db2.gz JOLFXTBQPOSPEC-PMPSAXMXSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC[C@H](O)C[N@@H+](C)CCC#N ZINC000577602670 327275856 /nfs/dbraw/zinc/27/58/56/327275856.db2.gz JOLFXTBQPOSPEC-PMPSAXMXSA-N 2 2 296.459 0.903 20 30 CCEDLP C[C@@H](CC(=O)N[C@](C)(C#N)C[NH+](C)C)n1cc[nH+]c1 ZINC000566308503 327298087 /nfs/dbraw/zinc/29/80/87/327298087.db2.gz HQQGPHGOYRTPGX-WCQYABFASA-N 2 2 263.345 0.794 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261573981 327384784 /nfs/dbraw/zinc/38/47/84/327384784.db2.gz AXOITKKIRIXXBL-OAHLLOKOSA-N 2 2 263.385 0.872 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261573981 327384786 /nfs/dbraw/zinc/38/47/86/327384786.db2.gz AXOITKKIRIXXBL-OAHLLOKOSA-N 2 2 263.385 0.872 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377296878 329010215 /nfs/dbraw/zinc/01/02/15/329010215.db2.gz HTOYYZGYPCPYBC-LBPRGKRZSA-N 2 2 282.388 0.414 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377296878 329010217 /nfs/dbraw/zinc/01/02/17/329010217.db2.gz HTOYYZGYPCPYBC-LBPRGKRZSA-N 2 2 282.388 0.414 20 30 CCEDLP CC(C)(C)NC(=[NH2+])NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170912846 329072294 /nfs/dbraw/zinc/07/22/94/329072294.db2.gz ULPIOCABEFTDAK-UHFFFAOYSA-N 2 2 256.394 0.800 20 30 CCEDLP CC(C)(C)NC(=[NH2+])NCC[N@H+]1CCOC(C)(C)C1 ZINC000170912846 329072295 /nfs/dbraw/zinc/07/22/95/329072295.db2.gz ULPIOCABEFTDAK-UHFFFAOYSA-N 2 2 256.394 0.800 20 30 CCEDLP C=C(C)C[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000181244808 329227772 /nfs/dbraw/zinc/22/77/72/329227772.db2.gz MNNNQRYCYYWLHH-HNNXBMFYSA-N 2 2 297.443 0.967 20 30 CCEDLP C=C(C)C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000181244808 329227774 /nfs/dbraw/zinc/22/77/74/329227774.db2.gz MNNNQRYCYYWLHH-HNNXBMFYSA-N 2 2 297.443 0.967 20 30 CCEDLP C=C(C)C[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000181244808 329227777 /nfs/dbraw/zinc/22/77/77/329227777.db2.gz MNNNQRYCYYWLHH-HNNXBMFYSA-N 2 2 297.443 0.967 20 30 CCEDLP C[C@@H]1C[NH+]=C(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)N1 ZINC000262676401 330026166 /nfs/dbraw/zinc/02/61/66/330026166.db2.gz UBDHTJNGKUFZLQ-WOPDTQHZSA-N 2 2 268.405 0.812 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H]2C)CC1 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CCEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000491439353 332211583 /nfs/dbraw/zinc/21/15/83/332211583.db2.gz JFEPDOWYSJYSAZ-LBPRGKRZSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491439353 332211584 /nfs/dbraw/zinc/21/15/84/332211584.db2.gz JFEPDOWYSJYSAZ-LBPRGKRZSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000491439353 332211586 /nfs/dbraw/zinc/21/15/86/332211586.db2.gz JFEPDOWYSJYSAZ-LBPRGKRZSA-N 2 2 262.357 0.660 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000491526202 332230625 /nfs/dbraw/zinc/23/06/25/332230625.db2.gz YAXXVHZGOODKMV-GJZGRUSLSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000491526202 332230626 /nfs/dbraw/zinc/23/06/26/332230626.db2.gz YAXXVHZGOODKMV-GJZGRUSLSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)COCC)CC1 ZINC000491719318 332307793 /nfs/dbraw/zinc/30/77/93/332307793.db2.gz YWCTVIVSLMEUHU-UHFFFAOYSA-N 2 2 281.400 0.169 20 30 CCEDLP C#C[C@H]1COCC[NH+]1CCCC[N@H+]1CCOC[C@@H]1C#C ZINC000491732781 332313783 /nfs/dbraw/zinc/31/37/83/332313783.db2.gz QUVFBCIYKSGWGO-HOTGVXAUSA-N 2 2 276.380 0.435 20 30 CCEDLP C#C[C@H]1COCC[NH+]1CCCC[N@@H+]1CCOC[C@@H]1C#C ZINC000491732781 332313784 /nfs/dbraw/zinc/31/37/84/332313784.db2.gz QUVFBCIYKSGWGO-HOTGVXAUSA-N 2 2 276.380 0.435 20 30 CCEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC#N)[C@@H](C)C1 ZINC000245412888 334190944 /nfs/dbraw/zinc/19/09/44/334190944.db2.gz AZTZNBZSULNZNK-RYUDHWBXSA-N 2 2 252.362 0.288 20 30 CCEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC#N)[C@@H](C)C1 ZINC000245412888 334190945 /nfs/dbraw/zinc/19/09/45/334190945.db2.gz AZTZNBZSULNZNK-RYUDHWBXSA-N 2 2 252.362 0.288 20 30 CCEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC#N)[C@@H](C)C1 ZINC000245412888 334190946 /nfs/dbraw/zinc/19/09/46/334190946.db2.gz AZTZNBZSULNZNK-RYUDHWBXSA-N 2 2 252.362 0.288 20 30 CCEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC#N)[C@@H](C)C1 ZINC000245412888 334190947 /nfs/dbraw/zinc/19/09/47/334190947.db2.gz AZTZNBZSULNZNK-RYUDHWBXSA-N 2 2 252.362 0.288 20 30 CCEDLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCCC#N)C[C@H](C)O1 ZINC000576980426 335272698 /nfs/dbraw/zinc/27/26/98/335272698.db2.gz PWLLGXZQUPHKRU-MJBXVCDLSA-N 2 2 269.389 0.740 20 30 CCEDLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCCC#N)C[C@H](C)O1 ZINC000576980426 335272700 /nfs/dbraw/zinc/27/27/00/335272700.db2.gz PWLLGXZQUPHKRU-MJBXVCDLSA-N 2 2 269.389 0.740 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000336124985 526511243 /nfs/dbraw/zinc/51/12/43/526511243.db2.gz WTRQALCLNIAJIY-ZFWWWQNUSA-N 2 2 263.385 0.801 20 30 CCEDLP C=CCN1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000336124985 526511248 /nfs/dbraw/zinc/51/12/48/526511248.db2.gz WTRQALCLNIAJIY-ZFWWWQNUSA-N 2 2 263.385 0.801 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000336124985 526511253 /nfs/dbraw/zinc/51/12/53/526511253.db2.gz WTRQALCLNIAJIY-ZFWWWQNUSA-N 2 2 263.385 0.801 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000336124985 526511261 /nfs/dbraw/zinc/51/12/61/526511261.db2.gz WTRQALCLNIAJIY-ZFWWWQNUSA-N 2 2 263.385 0.801 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000783019990 581334421 /nfs/dbraw/zinc/33/44/21/581334421.db2.gz HKFOFIFIAOOROS-OAHLLOKOSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000767462928 581614909 /nfs/dbraw/zinc/61/49/09/581614909.db2.gz RVEIZZBKJLZQCJ-AWEZNQCLSA-N 2 2 263.385 0.814 20 30 CCEDLP C#CCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000767462928 581614910 /nfs/dbraw/zinc/61/49/10/581614910.db2.gz RVEIZZBKJLZQCJ-AWEZNQCLSA-N 2 2 263.385 0.814 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920672 581620555 /nfs/dbraw/zinc/62/05/55/581620555.db2.gz QTLSMFQOWIJPKO-OLZOCXBDSA-N 2 2 260.341 0.658 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729920672 581620557 /nfs/dbraw/zinc/62/05/57/581620557.db2.gz QTLSMFQOWIJPKO-OLZOCXBDSA-N 2 2 260.341 0.658 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000730097486 581645802 /nfs/dbraw/zinc/64/58/02/581645802.db2.gz AUTGHACSMDNDSQ-HNNXBMFYSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000730097486 581645803 /nfs/dbraw/zinc/64/58/03/581645803.db2.gz AUTGHACSMDNDSQ-HNNXBMFYSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000730285242 581692415 /nfs/dbraw/zinc/69/24/15/581692415.db2.gz JRQJLKZWKUBPAT-ZNMIVQPWSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000730285242 581692418 /nfs/dbraw/zinc/69/24/18/581692418.db2.gz JRQJLKZWKUBPAT-ZNMIVQPWSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CCNC(=S)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000758229506 581729974 /nfs/dbraw/zinc/72/99/74/581729974.db2.gz ILLOARFDQQHNON-GFCCVEGCSA-N 2 2 280.441 0.252 20 30 CCEDLP C#CCNC(=S)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000758229506 581729976 /nfs/dbraw/zinc/72/99/76/581729976.db2.gz ILLOARFDQQHNON-GFCCVEGCSA-N 2 2 280.441 0.252 20 30 CCEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000746666879 581921657 /nfs/dbraw/zinc/92/16/57/581921657.db2.gz BJZZGOVVNLSTTE-AWEZNQCLSA-N 2 2 278.400 0.680 20 30 CCEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000746666879 581921659 /nfs/dbraw/zinc/92/16/59/581921659.db2.gz BJZZGOVVNLSTTE-AWEZNQCLSA-N 2 2 278.400 0.680 20 30 CCEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000746666879 581921660 /nfs/dbraw/zinc/92/16/60/581921660.db2.gz BJZZGOVVNLSTTE-AWEZNQCLSA-N 2 2 278.400 0.680 20 30 CCEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000746666879 581921661 /nfs/dbraw/zinc/92/16/61/581921661.db2.gz BJZZGOVVNLSTTE-AWEZNQCLSA-N 2 2 278.400 0.680 20 30 CCEDLP N#CCCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749516150 582011469 /nfs/dbraw/zinc/01/14/69/582011469.db2.gz STFWHSKNRQYLBA-HIFRSBDPSA-N 2 2 290.411 0.965 20 30 CCEDLP N#CCCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749516150 582011470 /nfs/dbraw/zinc/01/14/70/582011470.db2.gz STFWHSKNRQYLBA-HIFRSBDPSA-N 2 2 290.411 0.965 20 30 CCEDLP N#CCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749516150 582011472 /nfs/dbraw/zinc/01/14/72/582011472.db2.gz STFWHSKNRQYLBA-HIFRSBDPSA-N 2 2 290.411 0.965 20 30 CCEDLP N#CCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749516150 582011474 /nfs/dbraw/zinc/01/14/74/582011474.db2.gz STFWHSKNRQYLBA-HIFRSBDPSA-N 2 2 290.411 0.965 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000763994556 582025484 /nfs/dbraw/zinc/02/54/84/582025484.db2.gz WUHLQPFYHWNALZ-CQSZACIVSA-N 2 2 295.452 0.591 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000763994556 582025485 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C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC001014779877 650488118 /nfs/dbraw/zinc/48/81/18/650488118.db2.gz OWHFNSJHJCSDHJ-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC)C1 ZINC001014779877 650488119 /nfs/dbraw/zinc/48/81/19/650488119.db2.gz OWHFNSJHJCSDHJ-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC)C1 ZINC001014779877 650488121 /nfs/dbraw/zinc/48/81/21/650488121.db2.gz OWHFNSJHJCSDHJ-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014966863 650508820 /nfs/dbraw/zinc/50/88/20/650508820.db2.gz ZNEKAMQLIAYOSA-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001014966863 650508822 /nfs/dbraw/zinc/50/88/22/650508822.db2.gz ZNEKAMQLIAYOSA-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001014966863 650508823 /nfs/dbraw/zinc/50/88/23/650508823.db2.gz ZNEKAMQLIAYOSA-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001014966863 650508824 /nfs/dbraw/zinc/50/88/24/650508824.db2.gz ZNEKAMQLIAYOSA-UONOGXRCSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001003846642 639634636 /nfs/dbraw/zinc/63/46/36/639634636.db2.gz QOTULHRNYJRXQF-UHFFFAOYSA-N 2 2 260.341 0.556 20 30 CCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016255671 650706831 /nfs/dbraw/zinc/70/68/31/650706831.db2.gz NPMOOOBQGKZHNZ-RYUDHWBXSA-N 2 2 271.792 0.881 20 30 CCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016255671 650706832 /nfs/dbraw/zinc/70/68/32/650706832.db2.gz NPMOOOBQGKZHNZ-RYUDHWBXSA-N 2 2 271.792 0.881 20 30 CCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016255671 650706833 /nfs/dbraw/zinc/70/68/33/650706833.db2.gz NPMOOOBQGKZHNZ-RYUDHWBXSA-N 2 2 271.792 0.881 20 30 CCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016255671 650706834 /nfs/dbraw/zinc/70/68/34/650706834.db2.gz NPMOOOBQGKZHNZ-RYUDHWBXSA-N 2 2 271.792 0.881 20 30 CCEDLP Cc1ccc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(N(C)C)[nH+]1 ZINC000841155209 642805606 /nfs/dbraw/zinc/80/56/06/642805606.db2.gz TZRNPTJAJOLUPH-PWSUYJOCSA-N 2 2 288.355 0.689 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001020308979 651058326 /nfs/dbraw/zinc/05/83/26/651058326.db2.gz YHNHZLWKGWYMPH-AVGNSLFASA-N 2 2 272.352 0.316 20 30 CCEDLP C[C@@H]1C(=NNCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000872371209 646251788 /nfs/dbraw/zinc/25/17/88/646251788.db2.gz JJDXLRSPCYKFCZ-GFCCVEGCSA-N 2 2 254.378 0.378 20 30 CCEDLP CC(C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000303790556 649824871 /nfs/dbraw/zinc/82/48/71/649824871.db2.gz WKGCWGRTRZCLKN-LBPRGKRZSA-N 2 2 256.394 0.656 20 30 CCEDLP CCCC[N@H+](C)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304750040 649838381 /nfs/dbraw/zinc/83/83/81/649838381.db2.gz IASXGGZJINNVPL-UHFFFAOYSA-N 3 2 299.463 0.345 20 30 CCEDLP CCCC[N@@H+](C)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304750040 649838384 /nfs/dbraw/zinc/83/83/84/649838384.db2.gz IASXGGZJINNVPL-UHFFFAOYSA-N 3 2 299.463 0.345 20 30 CCEDLP CC#CC[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331389 790904552 /nfs/dbraw/zinc/90/45/52/790904552.db2.gz IEQPRKNHNFAXJM-UHFFFAOYSA-N 2 2 274.368 0.852 20 30 CCEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206662 790944322 /nfs/dbraw/zinc/94/43/22/790944322.db2.gz MOZHZGHHCFZRNV-UONOGXRCSA-N 2 2 290.367 0.440 20 30 CCEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206662 790944330 /nfs/dbraw/zinc/94/43/30/790944330.db2.gz MOZHZGHHCFZRNV-UONOGXRCSA-N 2 2 290.367 0.440 20 30 CCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001277717517 805982041 /nfs/dbraw/zinc/98/20/41/805982041.db2.gz NQNRRKWGBRSRJD-AWEZNQCLSA-N 2 2 274.368 0.422 20 30 CCEDLP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266748295 791207989 /nfs/dbraw/zinc/20/79/89/791207989.db2.gz BMRZAVOMIOIPQV-ZDUSSCGKSA-N 2 2 274.368 0.517 20 30 CCEDLP C[NH+](C)CCN1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383566 806053775 /nfs/dbraw/zinc/05/37/75/806053775.db2.gz MVODRNPMNMDNSW-UHFFFAOYSA-N 2 2 288.395 0.943 20 30 CCEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010885 806168349 /nfs/dbraw/zinc/16/83/49/806168349.db2.gz IPDXSLBSOHQOTA-ZDUSSCGKSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010885 806168356 /nfs/dbraw/zinc/16/83/56/806168356.db2.gz IPDXSLBSOHQOTA-ZDUSSCGKSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235337132 806407974 /nfs/dbraw/zinc/40/79/74/806407974.db2.gz RWRFUQGEQLXTQQ-KGLIPLIRSA-N 2 2 263.385 0.493 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235337132 806407978 /nfs/dbraw/zinc/40/79/78/806407978.db2.gz RWRFUQGEQLXTQQ-KGLIPLIRSA-N 2 2 263.385 0.493 20 30 CCEDLP C=CCN(CC=C)CC[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC001236434953 806591617 /nfs/dbraw/zinc/59/16/17/806591617.db2.gz YXAZAFXLTDQBRG-OAHLLOKOSA-N 2 2 266.433 0.625 20 30 CCEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154418631 800778143 /nfs/dbraw/zinc/77/81/43/800778143.db2.gz OJZHTGPMYKQFAU-CYBMUJFWSA-N 2 2 276.384 0.813 20 30 CCEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154418631 800778149 /nfs/dbraw/zinc/77/81/49/800778149.db2.gz OJZHTGPMYKQFAU-CYBMUJFWSA-N 2 2 276.384 0.813 20 30 CCEDLP C[NH+](C)C1(CNc2cnc(C#N)cn2)CC[NH+](C)CC1 ZINC001156176992 801121604 /nfs/dbraw/zinc/12/16/04/801121604.db2.gz XOQUUZXQLZWEGW-UHFFFAOYSA-N 2 2 274.372 0.786 20 30 CCEDLP N#Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(Cl)c1 ZINC001158204383 801593367 /nfs/dbraw/zinc/59/33/67/801593367.db2.gz ZUWRXACKIXYNDV-SECBINFHSA-N 2 2 277.715 0.654 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158514214 801660053 /nfs/dbraw/zinc/66/00/53/801660053.db2.gz GRCKUURTHMINON-UHFFFAOYSA-N 2 2 274.368 0.491 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001160436140 801937229 /nfs/dbraw/zinc/93/72/29/801937229.db2.gz HLYVHYXVPLUAPQ-NWDGAFQWSA-N 2 2 255.337 0.264 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160983914 802057900 /nfs/dbraw/zinc/05/79/00/802057900.db2.gz CUWRUVGMFMBKCH-UHFFFAOYSA-N 2 2 256.309 0.906 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264731072 809675215 /nfs/dbraw/zinc/67/52/15/809675215.db2.gz BVJHJHIJQKZDAJ-ZNMIVQPWSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264731072 809675220 /nfs/dbraw/zinc/67/52/20/809675220.db2.gz BVJHJHIJQKZDAJ-ZNMIVQPWSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001276439932 803064450 /nfs/dbraw/zinc/06/44/50/803064450.db2.gz MVWYKDHGWWKXON-LLVKDONJSA-N 2 2 260.341 0.412 20 30 CCEDLP CC#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001276711831 803744037 /nfs/dbraw/zinc/74/40/37/803744037.db2.gz NVAVRURUIADFHN-ZDUSSCGKSA-N 2 2 260.341 0.391 20 30 CCEDLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402204188 803817233 /nfs/dbraw/zinc/81/72/33/803817233.db2.gz JKKRQSLPNMNXJS-WCQYABFASA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000402204188 803817242 /nfs/dbraw/zinc/81/72/42/803817242.db2.gz JKKRQSLPNMNXJS-WCQYABFASA-N 2 2 263.341 0.577 20 30 CCEDLP Cc1[nH]c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(C#N)c1C ZINC001218556638 804003747 /nfs/dbraw/zinc/00/37/47/804003747.db2.gz WAFVSORFKTXFCN-LBPRGKRZSA-N 2 2 286.339 0.745 20 30 CCEDLP N#Cc1[nH]cnc1NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001218595902 804027386 /nfs/dbraw/zinc/02/73/86/804027386.db2.gz XPKCHXZOCWTUTJ-SECBINFHSA-N 2 2 274.328 0.094 20 30 CCEDLP Cc1coc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1C#N ZINC001218765044 804114628 /nfs/dbraw/zinc/11/46/28/804114628.db2.gz RPZMGFYQLIZLCO-JTQLQIEISA-N 2 2 259.269 0.691 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819979 804132989 /nfs/dbraw/zinc/13/29/89/804132989.db2.gz UFNWUZJPHXCOQM-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819979 804132994 /nfs/dbraw/zinc/13/29/94/804132994.db2.gz UFNWUZJPHXCOQM-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP CNc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218981398 804172852 /nfs/dbraw/zinc/17/28/52/804172852.db2.gz QKNAAOQAPUBYCJ-SKDRFNHKSA-N 2 2 259.313 0.228 20 30 CCEDLP CNc1ccc(C#N)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218981865 804173199 /nfs/dbraw/zinc/17/31/99/804173199.db2.gz WWPLYEOIFKQNRV-UWVGGRQHSA-N 2 2 259.313 0.085 20 30 CCEDLP N#C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccccc1 ZINC001219558373 804347204 /nfs/dbraw/zinc/34/72/04/804347204.db2.gz OWSQRKLOIDYDTP-KCQAQPDRSA-N 2 2 270.336 0.319 20 30 CCEDLP N#C[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccccc1 ZINC001219557701 804347923 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C#CC[NH+]1CCC(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001225305105 805120491 /nfs/dbraw/zinc/12/04/91/805120491.db2.gz SUBXLMOCCWDMCU-UHFFFAOYSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc[nH+]c2N)C1 ZINC001248681033 807519145 /nfs/dbraw/zinc/51/91/45/807519145.db2.gz AFRZRHMBOQGGOO-ZDUSSCGKSA-N 2 2 287.367 0.561 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc[nH+]c2N)C1 ZINC001248681033 807519148 /nfs/dbraw/zinc/51/91/48/807519148.db2.gz AFRZRHMBOQGGOO-ZDUSSCGKSA-N 2 2 287.367 0.561 20 30 CCEDLP Cc1cc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)ccc1C#N ZINC001249128396 807544387 /nfs/dbraw/zinc/54/43/87/807544387.db2.gz BNYQCLUTRVPZPZ-LLVKDONJSA-N 2 2 257.297 0.745 20 30 CCEDLP C=CCOC[C@H](O)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001252473256 807886072 /nfs/dbraw/zinc/88/60/72/807886072.db2.gz JLQLLPSCUZJUIZ-MCIONIFRSA-N 2 2 254.374 0.576 20 30 CCEDLP C=CCOC[C@H](O)C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001252473256 807886078 /nfs/dbraw/zinc/88/60/78/807886078.db2.gz 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C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032473735 897612515 /nfs/dbraw/zinc/61/25/15/897612515.db2.gz AIOJXIKWHAYXJX-RWMBFGLXSA-N 2 2 251.374 0.798 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032473735 897612523 /nfs/dbraw/zinc/61/25/23/897612523.db2.gz AIOJXIKWHAYXJX-RWMBFGLXSA-N 2 2 251.374 0.798 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032731028 898023753 /nfs/dbraw/zinc/02/37/53/898023753.db2.gz XASXTVGOZKHJDW-RDBSUJKOSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001032731028 898023766 /nfs/dbraw/zinc/02/37/66/898023766.db2.gz XASXTVGOZKHJDW-RDBSUJKOSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032731028 898023779 /nfs/dbraw/zinc/02/37/79/898023779.db2.gz XASXTVGOZKHJDW-RDBSUJKOSA-N 2 2 261.369 0.247 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001032731028 898023786 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C=CC[NH2+][C@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001283785804 905013707 /nfs/dbraw/zinc/01/37/07/905013707.db2.gz VXXHTFWAKDUPAF-ZDUSSCGKSA-N 2 2 277.368 0.873 20 30 CCEDLP C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001284517127 905352676 /nfs/dbraw/zinc/35/26/76/905352676.db2.gz RVLUJYDJOPDQNB-ZDUSSCGKSA-N 2 2 294.399 0.670 20 30 CCEDLP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001284517127 905352691 /nfs/dbraw/zinc/35/26/91/905352691.db2.gz RVLUJYDJOPDQNB-ZDUSSCGKSA-N 2 2 294.399 0.670 20 30 CCEDLP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001491583803 907421319 /nfs/dbraw/zinc/42/13/19/907421319.db2.gz QSNWVENPCYGBBU-JHJVBQTASA-N 2 2 274.368 0.641 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317205491 907946636 /nfs/dbraw/zinc/94/66/36/907946636.db2.gz PKCMKSMGUUHFJO-STQMWFEESA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317205491 907946650 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C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001322191558 911703754 /nfs/dbraw/zinc/70/37/54/911703754.db2.gz BZRAHUGTNLWBEI-QWHCGFSZSA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001331346558 917278302 /nfs/dbraw/zinc/27/83/02/917278302.db2.gz JYADINYBKJITBB-AWEZNQCLSA-N 2 2 274.368 0.720 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001331490968 917370626 /nfs/dbraw/zinc/37/06/26/917370626.db2.gz HVFMTHWGFDTJSX-UONOGXRCSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001332874005 918500276 /nfs/dbraw/zinc/50/02/76/918500276.db2.gz ITGVVAYLXCRELV-NSHDSACASA-N 2 2 262.357 0.706 20 30 CCEDLP C#C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC001335443173 920195494 /nfs/dbraw/zinc/19/54/94/920195494.db2.gz CSTSMJVEZGEIOL-SJORKVTESA-N 2 2 287.407 0.559 20 30 CCEDLP C#CCN(C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001353466754 925841945 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N#Cc1csc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000352844241 356094925 /nfs/dbraw/zinc/09/49/25/356094925.db2.gz DYWDPMHZNYCAFS-NSHDSACASA-N 2 2 293.396 0.444 20 30 CCEDLP C=C[C@@H](C(=O)OC)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000619719755 366339435 /nfs/dbraw/zinc/33/94/35/366339435.db2.gz AYTXPLIIRVPQBM-AWEZNQCLSA-N 2 2 283.416 0.672 20 30 CCEDLP C=C[C@@H](C(=O)OC)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000619719755 366339443 /nfs/dbraw/zinc/33/94/43/366339443.db2.gz AYTXPLIIRVPQBM-AWEZNQCLSA-N 2 2 283.416 0.672 20 30 CCEDLP C=CCCn1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nn1 ZINC000655941136 412708695 /nfs/dbraw/zinc/70/86/95/412708695.db2.gz MVZWFVIHQMNKCJ-HNNXBMFYSA-N 2 2 290.415 0.334 20 30 CCEDLP C=CCCn1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nn1 ZINC000655941136 412708700 /nfs/dbraw/zinc/70/87/00/412708700.db2.gz MVZWFVIHQMNKCJ-HNNXBMFYSA-N 2 2 290.415 0.334 20 30 CCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C#N)CCC1 ZINC000597990546 361299212 /nfs/dbraw/zinc/29/92/12/361299212.db2.gz XYUXQJMAZZPCLW-UHFFFAOYSA-N 2 2 266.389 0.680 20 30 CCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C#N)CCC1 ZINC000597990546 361299220 /nfs/dbraw/zinc/29/92/20/361299220.db2.gz XYUXQJMAZZPCLW-UHFFFAOYSA-N 2 2 266.389 0.680 20 30 CCEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719465 361496145 /nfs/dbraw/zinc/49/61/45/361496145.db2.gz IOKVFJZSGLFVRE-KBPBESRZSA-N 2 2 283.416 0.988 20 30 CCEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719465 361496148 /nfs/dbraw/zinc/49/61/48/361496148.db2.gz IOKVFJZSGLFVRE-KBPBESRZSA-N 2 2 283.416 0.988 20 30 CCEDLP C=CCOCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000339005195 389121566 /nfs/dbraw/zinc/12/15/66/389121566.db2.gz HZEDFGXMHIWJLU-AWEZNQCLSA-N 2 2 254.374 0.843 20 30 CCEDLP C=CCOCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000339005195 389121569 /nfs/dbraw/zinc/12/15/69/389121569.db2.gz HZEDFGXMHIWJLU-AWEZNQCLSA-N 2 2 254.374 0.843 20 30 CCEDLP Cn1c[nH+]cc1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000329736289 389194193 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C#CCC[NH+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000363510127 389250296 /nfs/dbraw/zinc/25/02/96/389250296.db2.gz LPNQQOGLLRIEAG-AWEZNQCLSA-N 2 2 286.379 0.613 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245440469 389208528 /nfs/dbraw/zinc/20/85/28/389208528.db2.gz GOILQCVCSLNCGO-OLZOCXBDSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245440469 389208530 /nfs/dbraw/zinc/20/85/30/389208530.db2.gz GOILQCVCSLNCGO-OLZOCXBDSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245440469 389208533 /nfs/dbraw/zinc/20/85/33/389208533.db2.gz GOILQCVCSLNCGO-OLZOCXBDSA-N 2 2 251.374 0.398 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245440469 389208535 /nfs/dbraw/zinc/20/85/35/389208535.db2.gz GOILQCVCSLNCGO-OLZOCXBDSA-N 2 2 251.374 0.398 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261965268 389278981 /nfs/dbraw/zinc/27/89/81/389278981.db2.gz LGODPCLSUZOJQD-GXTWGEPZSA-N 3 2 290.415 0.531 20 30 CCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261965268 389278985 /nfs/dbraw/zinc/27/89/85/389278985.db2.gz LGODPCLSUZOJQD-GXTWGEPZSA-N 3 2 290.415 0.531 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1C[C@H]1C ZINC000262787363 389295201 /nfs/dbraw/zinc/29/52/01/389295201.db2.gz NBKPLSSXQZXETM-KOLCDFICSA-N 2 2 264.377 0.560 20 30 CCEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)CN1CCOCC1 ZINC000270819978 389435309 /nfs/dbraw/zinc/43/53/09/389435309.db2.gz YIVFMGYZGAWLJW-UHFFFAOYSA-N 2 2 281.360 0.203 20 30 CCEDLP C[NH+]=C(NCc1ccoc1)NC[C@H]1C[N@H+](C)CCO1 ZINC000176316232 389556555 /nfs/dbraw/zinc/55/65/55/389556555.db2.gz ZPUWCLGXUPIXRI-LBPRGKRZSA-N 2 2 266.345 0.275 20 30 CCEDLP C[NH+]=C(NCc1ccoc1)NC[C@H]1C[N@@H+](C)CCO1 ZINC000176316232 389556558 /nfs/dbraw/zinc/55/65/58/389556558.db2.gz ZPUWCLGXUPIXRI-LBPRGKRZSA-N 2 2 266.345 0.275 20 30 CCEDLP C#C[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000491743753 390116426 /nfs/dbraw/zinc/11/64/26/390116426.db2.gz MSUIIVNGJMQLIY-AJNGGQMLSA-N 2 2 268.401 0.704 20 30 CCEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC(C)(C)CC#N)C[C@@H](C)O1 ZINC000519387339 390497377 /nfs/dbraw/zinc/49/73/77/390497377.db2.gz CQMNWRXWCGEFOE-MCIONIFRSA-N 2 2 283.416 0.986 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103168 390598439 /nfs/dbraw/zinc/59/84/39/390598439.db2.gz GPTMUDLMNXPORT-ZDUSSCGKSA-N 2 2 281.400 0.474 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103168 390598440 /nfs/dbraw/zinc/59/84/40/390598440.db2.gz GPTMUDLMNXPORT-ZDUSSCGKSA-N 2 2 281.400 0.474 20 30 CCEDLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528515505 390752793 /nfs/dbraw/zinc/75/27/93/390752793.db2.gz CGFLQOIHADYSGV-AWEZNQCLSA-N 2 2 295.427 0.866 20 30 CCEDLP N#Cc1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000571582608 390743500 /nfs/dbraw/zinc/74/35/00/390743500.db2.gz VNNJMEKRGSYPHN-KBPBESRZSA-N 2 2 270.336 0.302 20 30 CCEDLP N#Cc1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000571582608 390743503 /nfs/dbraw/zinc/74/35/03/390743503.db2.gz VNNJMEKRGSYPHN-KBPBESRZSA-N 2 2 270.336 0.302 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000662701524 414743445 /nfs/dbraw/zinc/74/34/45/414743445.db2.gz QKHAPVAXVRYIRV-HIFRSBDPSA-N 2 2 281.400 0.522 20 30 CCEDLP C=CC[C@@]1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000662701524 414743446 /nfs/dbraw/zinc/74/34/46/414743446.db2.gz QKHAPVAXVRYIRV-HIFRSBDPSA-N 2 2 281.400 0.522 20 30 CCEDLP C[C@@H](CNC(=O)NCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000328690454 545018336 /nfs/dbraw/zinc/01/83/36/545018336.db2.gz BSFFATFYIJDCAY-AWEZNQCLSA-N 2 2 298.431 0.697 20 30 CCEDLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000407988071 260151463 /nfs/dbraw/zinc/15/14/63/260151463.db2.gz CABQSPKRHXMKBK-STQMWFEESA-N 2 2 264.373 0.384 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)OCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000491047986 261310750 /nfs/dbraw/zinc/31/07/50/261310750.db2.gz WIOAXYHMCSNASC-CQSZACIVSA-N 2 2 294.395 0.596 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)OCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000491047986 261310753 /nfs/dbraw/zinc/31/07/53/261310753.db2.gz WIOAXYHMCSNASC-CQSZACIVSA-N 2 2 294.395 0.596 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251722407 264289734 /nfs/dbraw/zinc/28/97/34/264289734.db2.gz JZFCPMJSLILEEF-CHWSQXEVSA-N 2 2 251.374 0.856 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251722407 264289735 /nfs/dbraw/zinc/28/97/35/264289735.db2.gz JZFCPMJSLILEEF-CHWSQXEVSA-N 2 2 251.374 0.856 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000281339657 264483000 /nfs/dbraw/zinc/48/30/00/264483000.db2.gz MJNVZWDSNXGACI-ZDUSSCGKSA-N 2 2 296.415 0.804 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281339657 264483002 /nfs/dbraw/zinc/48/30/02/264483002.db2.gz MJNVZWDSNXGACI-ZDUSSCGKSA-N 2 2 296.415 0.804 20 30 CCEDLP C[N@H+](CCC#N)C[C@H](O)CN[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000518964066 265252218 /nfs/dbraw/zinc/25/22/18/265252218.db2.gz YHAHEYVJOSTVCX-GDBMZVCRSA-N 2 2 294.443 0.799 20 30 CCEDLP C[N@@H+](CCC#N)C[C@H](O)CN[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000518964066 265252221 /nfs/dbraw/zinc/25/22/21/265252221.db2.gz YHAHEYVJOSTVCX-GDBMZVCRSA-N 2 2 294.443 0.799 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000518964066 265252225 /nfs/dbraw/zinc/25/22/25/265252225.db2.gz YHAHEYVJOSTVCX-GDBMZVCRSA-N 2 2 294.443 0.799 20 30 CCEDLP C[NH+](CCC#N)C[C@H](O)CN[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000518964066 265252228 /nfs/dbraw/zinc/25/22/28/265252228.db2.gz YHAHEYVJOSTVCX-GDBMZVCRSA-N 2 2 294.443 0.799 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652137 266340544 /nfs/dbraw/zinc/34/05/44/266340544.db2.gz UNCGRKIALIYCCQ-ZDUSSCGKSA-N 2 2 296.415 0.135 20 30 CCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652137 266340547 /nfs/dbraw/zinc/34/05/47/266340547.db2.gz UNCGRKIALIYCCQ-ZDUSSCGKSA-N 2 2 296.415 0.135 20 30 CCEDLP C#CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369257912 267229357 /nfs/dbraw/zinc/22/93/57/267229357.db2.gz UFADTCRHNKREBX-GFCCVEGCSA-N 2 2 264.373 0.087 20 30 CCEDLP C#CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369257912 267229359 /nfs/dbraw/zinc/22/93/59/267229359.db2.gz UFADTCRHNKREBX-GFCCVEGCSA-N 2 2 264.373 0.087 20 30 CCEDLP C[C@H]1C[NH+]=C(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)N1 ZINC000261584703 327002547 /nfs/dbraw/zinc/00/25/47/327002547.db2.gz HYEYBPXURFMPLI-ZFWWWQNUSA-N 2 2 288.395 0.825 20 30 CCEDLP C[C@H]1C[NH+]=C(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)N1 ZINC000261584703 327002548 /nfs/dbraw/zinc/00/25/48/327002548.db2.gz HYEYBPXURFMPLI-ZFWWWQNUSA-N 2 2 288.395 0.825 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261592689 327112427 /nfs/dbraw/zinc/11/24/27/327112427.db2.gz MNCQFSZVCKEEBE-UONOGXRCSA-N 2 2 263.385 0.871 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261592689 327112428 /nfs/dbraw/zinc/11/24/28/327112428.db2.gz MNCQFSZVCKEEBE-UONOGXRCSA-N 2 2 263.385 0.871 20 30 CCEDLP CC[C@H](C)NC(=[NH2+])NCC[N@@H+]1CCOCC1(C)C ZINC000171413342 329075633 /nfs/dbraw/zinc/07/56/33/329075633.db2.gz SHBGTWSAHPJWBT-NSHDSACASA-N 2 2 256.394 0.800 20 30 CCEDLP CC[C@H](C)NC(=[NH2+])NCC[N@H+]1CCOCC1(C)C ZINC000171413342 329075635 /nfs/dbraw/zinc/07/56/35/329075635.db2.gz SHBGTWSAHPJWBT-NSHDSACASA-N 2 2 256.394 0.800 20 30 CCEDLP CN1CC[NH+]=C1NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000262200913 330003933 /nfs/dbraw/zinc/00/39/33/330003933.db2.gz ATYYKTZAGVMYRC-UHFFFAOYSA-N 3 2 293.459 0.828 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC=C(C)CC2)CC1 ZINC000490891635 332124605 /nfs/dbraw/zinc/12/46/05/332124605.db2.gz GJGBFHRFBBNHPR-UHFFFAOYSA-N 2 2 261.369 0.416 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC=C(C)CC2)CC1 ZINC000490891635 332124607 /nfs/dbraw/zinc/12/46/07/332124607.db2.gz GJGBFHRFBBNHPR-UHFFFAOYSA-N 2 2 261.369 0.416 20 30 CCEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000491119786 332151935 /nfs/dbraw/zinc/15/19/35/332151935.db2.gz JSIRNLFBGCXJNC-UHFFFAOYSA-N 3 2 267.417 0.642 20 30 CCEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000491119786 332151937 /nfs/dbraw/zinc/15/19/37/332151937.db2.gz JSIRNLFBGCXJNC-UHFFFAOYSA-N 3 2 267.417 0.642 20 30 CCEDLP C#CC[N@@H+](C)CCCNC1CC[NH+](CCOC)CC1 ZINC000491119786 332151938 /nfs/dbraw/zinc/15/19/38/332151938.db2.gz JSIRNLFBGCXJNC-UHFFFAOYSA-N 2 2 267.417 0.642 20 30 CCEDLP C#CC[N@H+](C)CCCNC1CC[NH+](CCOC)CC1 ZINC000491119786 332151940 /nfs/dbraw/zinc/15/19/40/332151940.db2.gz JSIRNLFBGCXJNC-UHFFFAOYSA-N 2 2 267.417 0.642 20 30 CCEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1CCCC1 ZINC000491387261 332202648 /nfs/dbraw/zinc/20/26/48/332202648.db2.gz XRFFWQKKWOUNLP-HNNXBMFYSA-N 2 2 268.401 0.803 20 30 CCEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1CCCC1 ZINC000491387261 332202650 /nfs/dbraw/zinc/20/26/50/332202650.db2.gz XRFFWQKKWOUNLP-HNNXBMFYSA-N 2 2 268.401 0.803 20 30 CCEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1CCCC1 ZINC000491387261 332202652 /nfs/dbraw/zinc/20/26/52/332202652.db2.gz XRFFWQKKWOUNLP-HNNXBMFYSA-N 2 2 268.401 0.803 20 30 CCEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1CCCC1 ZINC000491387261 332202653 /nfs/dbraw/zinc/20/26/53/332202653.db2.gz XRFFWQKKWOUNLP-HNNXBMFYSA-N 2 2 268.401 0.803 20 30 CCEDLP C[N@H+]1CCC[C@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000523675388 333337212 /nfs/dbraw/zinc/33/72/12/333337212.db2.gz ORPGSIDMRRFTPH-NSHDSACASA-N 2 2 250.346 0.185 20 30 CCEDLP C=CCC(CC=C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576105716 335154907 /nfs/dbraw/zinc/15/49/07/335154907.db2.gz NREJFDHNYYTOCP-ZDUSSCGKSA-N 2 2 251.374 0.856 20 30 CCEDLP C=CCC(CC=C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576105716 335154908 /nfs/dbraw/zinc/15/49/08/335154908.db2.gz NREJFDHNYYTOCP-ZDUSSCGKSA-N 2 2 251.374 0.856 20 30 CCEDLP C=CCC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000567876659 334770969 /nfs/dbraw/zinc/77/09/69/334770969.db2.gz WFOPMMLVMGTDPD-XQLPTFJDSA-N 2 2 286.416 0.373 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000577515102 335363507 /nfs/dbraw/zinc/36/35/07/335363507.db2.gz XTTWHLFPCYIFFP-WDEREUQCSA-N 2 2 268.361 0.057 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000577515102 335363509 /nfs/dbraw/zinc/36/35/09/335363509.db2.gz XTTWHLFPCYIFFP-WDEREUQCSA-N 2 2 268.361 0.057 20 30 CCEDLP C=C[C@@](C)(O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616885 545184256 /nfs/dbraw/zinc/18/42/56/545184256.db2.gz HDARTTRRUXQOHN-GDBMZVCRSA-N 2 2 295.427 0.550 20 30 CCEDLP C=C[C@@](C)(O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616885 545184257 /nfs/dbraw/zinc/18/42/57/545184257.db2.gz HDARTTRRUXQOHN-GDBMZVCRSA-N 2 2 295.427 0.550 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986506 545241206 /nfs/dbraw/zinc/24/12/06/545241206.db2.gz VFKPGEHLLNCDDY-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986506 545241207 /nfs/dbraw/zinc/24/12/07/545241207.db2.gz VFKPGEHLLNCDDY-CABCVRRESA-N 2 2 295.427 0.864 20 30 CCEDLP C#C[C@@H](CC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000753150196 581529534 /nfs/dbraw/zinc/52/95/34/581529534.db2.gz PHZMNEJXDIXZGX-KBPBESRZSA-N 2 2 292.427 0.866 20 30 CCEDLP C#C[C@@H](CC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000753150196 581529536 /nfs/dbraw/zinc/52/95/36/581529536.db2.gz PHZMNEJXDIXZGX-KBPBESRZSA-N 2 2 292.427 0.866 20 30 CCEDLP C#CCCCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414581 612975061 /nfs/dbraw/zinc/97/50/61/612975061.db2.gz IEFPLPTUCHLPPQ-UHFFFAOYSA-N 2 2 253.390 0.790 20 30 CCEDLP C#CCCCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414581 612975063 /nfs/dbraw/zinc/97/50/63/612975063.db2.gz 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C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000999536345 638984685 /nfs/dbraw/zinc/98/46/85/638984685.db2.gz OBWPXBKANYICEU-UONOGXRCSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCF)CC1 ZINC001003054900 639500033 /nfs/dbraw/zinc/50/00/33/639500033.db2.gz CFCOIWSXMPFMBP-AWEZNQCLSA-N 2 2 281.375 0.634 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCF)CC1 ZINC001003054900 639500037 /nfs/dbraw/zinc/50/00/37/639500037.db2.gz CFCOIWSXMPFMBP-AWEZNQCLSA-N 2 2 281.375 0.634 20 30 CCEDLP C[C@H](C#N)CN[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000755800819 640336400 /nfs/dbraw/zinc/33/64/00/640336400.db2.gz CEHBWUSBWOBQPF-GFCCVEGCSA-N 2 2 287.371 0.312 20 30 CCEDLP C[C@@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@@H+]1C ZINC000799488293 640578221 /nfs/dbraw/zinc/57/82/21/640578221.db2.gz DSTVWYAWQPMMNW-GFCCVEGCSA-N 2 2 254.378 0.378 20 30 CCEDLP C[C@@H]1CC(=NNCCC[NH+]2CCOCC2)C[N@H+]1C ZINC000799488293 640578227 /nfs/dbraw/zinc/57/82/27/640578227.db2.gz DSTVWYAWQPMMNW-GFCCVEGCSA-N 2 2 254.378 0.378 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016007856 650674965 /nfs/dbraw/zinc/67/49/65/650674965.db2.gz VXNHYRZWKMJOJN-CYBMUJFWSA-N 2 2 286.379 0.975 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016007856 650674967 /nfs/dbraw/zinc/67/49/67/650674967.db2.gz VXNHYRZWKMJOJN-CYBMUJFWSA-N 2 2 286.379 0.975 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000834494337 642582898 /nfs/dbraw/zinc/58/28/98/642582898.db2.gz MNNVGDHBLGQTHV-XXFPWJFMSA-N 2 2 280.278 0.192 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000834494328 642583463 /nfs/dbraw/zinc/58/34/63/642583463.db2.gz MNNVGDHBLGQTHV-INNHCVQGSA-N 2 2 280.278 0.192 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001017419587 650801279 /nfs/dbraw/zinc/80/12/79/650801279.db2.gz RBNUBJSKZGJWOU-QLFBSQMISA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C ZINC001017419587 650801280 /nfs/dbraw/zinc/80/12/80/650801280.db2.gz RBNUBJSKZGJWOU-QLFBSQMISA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001017419587 650801284 /nfs/dbraw/zinc/80/12/84/650801284.db2.gz RBNUBJSKZGJWOU-QLFBSQMISA-N 2 2 275.396 0.779 20 30 CCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001017419587 650801286 /nfs/dbraw/zinc/80/12/86/650801286.db2.gz RBNUBJSKZGJWOU-QLFBSQMISA-N 2 2 275.396 0.779 20 30 CCEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852860143 644028862 /nfs/dbraw/zinc/02/88/62/644028862.db2.gz LDLRTKYSGLPEFC-GFCCVEGCSA-N 2 2 260.341 0.391 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001019030213 650931765 /nfs/dbraw/zinc/93/17/65/650931765.db2.gz DGCKSSZCMTUCJU-ZDUSSCGKSA-N 2 2 274.368 0.750 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001019833330 651010017 /nfs/dbraw/zinc/01/00/17/651010017.db2.gz JFKSCVKAFPPFPD-GJZGRUSLSA-N 2 2 286.379 0.508 20 30 CCEDLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c[nH+]1 ZINC000884250716 647681405 /nfs/dbraw/zinc/68/14/05/647681405.db2.gz MARYERVJYBXLOU-WDEREUQCSA-N 2 2 261.329 0.154 20 30 CCEDLP CC(C)CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000303790818 649824820 /nfs/dbraw/zinc/82/48/20/649824820.db2.gz WWUNDHLAUVSAFI-CYBMUJFWSA-N 2 2 270.421 0.904 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001266501762 790802766 /nfs/dbraw/zinc/80/27/66/790802766.db2.gz JPHRNEGOHLMDFA-OKILXGFUSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001266501762 790802773 /nfs/dbraw/zinc/80/27/73/790802773.db2.gz JPHRNEGOHLMDFA-OKILXGFUSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001266501762 790802788 /nfs/dbraw/zinc/80/27/88/790802788.db2.gz JPHRNEGOHLMDFA-OKILXGFUSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001266501762 790802798 /nfs/dbraw/zinc/80/27/98/790802798.db2.gz JPHRNEGOHLMDFA-OKILXGFUSA-N 2 2 263.385 0.635 20 30 CCEDLP CC#CC[NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001267141063 791585791 /nfs/dbraw/zinc/58/57/91/791585791.db2.gz ZPLPJFCBIQEOEK-ZDUSSCGKSA-N 2 2 262.357 0.781 20 30 CCEDLP N#Cc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccn1 ZINC001235999594 806526912 /nfs/dbraw/zinc/52/69/12/806526912.db2.gz JAELKMJZQPGCDU-ONXXMXGDSA-N 2 2 258.325 0.359 20 30 CCEDLP N#Cc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccn1 ZINC001235999594 806526914 /nfs/dbraw/zinc/52/69/14/806526914.db2.gz JAELKMJZQPGCDU-ONXXMXGDSA-N 2 2 258.325 0.359 20 30 CCEDLP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001278098908 806666552 /nfs/dbraw/zinc/66/65/52/806666552.db2.gz AFCXZXNIZAGOLD-QJPTWQEYSA-N 2 2 278.356 0.156 20 30 CCEDLP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001278098908 806666557 /nfs/dbraw/zinc/66/65/57/806666557.db2.gz AFCXZXNIZAGOLD-QJPTWQEYSA-N 2 2 278.356 0.156 20 30 CCEDLP N#Cc1ncc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1C#N ZINC001155064331 800902871 /nfs/dbraw/zinc/90/28/71/800902871.db2.gz OPZYWGPIWCVQRI-UHFFFAOYSA-N 2 2 279.307 0.873 20 30 CCEDLP N#CCc1cc[nH+]c(N[C@H]2COCCC23C[NH2+]C3)c1 ZINC001155467779 800981942 /nfs/dbraw/zinc/98/19/42/800981942.db2.gz IGLABLJHXFFJTG-LBPRGKRZSA-N 2 2 258.325 0.938 20 30 CCEDLP C[NH+](C)C1(CNc2cncc(C#N)n2)CC[NH+](C)CC1 ZINC001156175759 801122068 /nfs/dbraw/zinc/12/20/68/801122068.db2.gz DMLQKFMCIJQQRO-UHFFFAOYSA-N 2 2 274.372 0.786 20 30 CCEDLP Cc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc(C#N)n1 ZINC001156181463 801123836 /nfs/dbraw/zinc/12/38/36/801123836.db2.gz BQIBEOPLGCMJKY-UHFFFAOYSA-N 2 2 288.399 0.517 20 30 CCEDLP N#CCCN(Cc1cccnc1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157730050 801464563 /nfs/dbraw/zinc/46/45/63/801464563.db2.gz HIVIAXIIZQSLHG-UHFFFAOYSA-N 2 2 287.367 0.405 20 30 CCEDLP Cc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1C#N ZINC001157914803 801518138 /nfs/dbraw/zinc/51/81/38/801518138.db2.gz KNDSUFJZJVXWFC-UHFFFAOYSA-N 2 2 258.329 0.856 20 30 CCEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc(Cl)c2C#N)CC1 ZINC001157914627 801518901 /nfs/dbraw/zinc/51/89/01/801518901.db2.gz JHZPOWAYQGHVNY-UHFFFAOYSA-N 2 2 279.735 0.596 20 30 CCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001278308332 806926257 /nfs/dbraw/zinc/92/62/57/806926257.db2.gz MTHZHMQLXCNQLE-QWHCGFSZSA-N 2 2 290.367 0.181 20 30 CCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccsc2)CC1 ZINC001160431829 801939677 /nfs/dbraw/zinc/93/96/77/801939677.db2.gz FVUKVTKOHBLJDA-ZDUSSCGKSA-N 2 2 279.409 0.948 20 30 CCEDLP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001265004272 809691321 /nfs/dbraw/zinc/69/13/21/809691321.db2.gz MJLATEWEVNAJAZ-AWEZNQCLSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001265004272 809691326 /nfs/dbraw/zinc/69/13/26/809691326.db2.gz MJLATEWEVNAJAZ-AWEZNQCLSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164496156 802749810 /nfs/dbraw/zinc/74/98/10/802749810.db2.gz LAUBPMRZMBWTHQ-OAHLLOKOSA-N 2 2 293.411 0.359 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164496156 802749812 /nfs/dbraw/zinc/74/98/12/802749812.db2.gz LAUBPMRZMBWTHQ-OAHLLOKOSA-N 2 2 293.411 0.359 20 30 CCEDLP CC#CC[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001203544631 803033873 /nfs/dbraw/zinc/03/38/73/803033873.db2.gz HJPXNMQCGUHHHH-UHFFFAOYSA-N 2 2 288.395 0.957 20 30 CCEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250640 803500500 /nfs/dbraw/zinc/50/05/00/803500500.db2.gz USZFHWSDLADJIG-CHWSQXEVSA-N 2 2 262.357 0.896 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250640 803500504 /nfs/dbraw/zinc/50/05/04/803500504.db2.gz USZFHWSDLADJIG-CHWSQXEVSA-N 2 2 262.357 0.896 20 30 CCEDLP Cc1noc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c1C#N ZINC001218502649 803969522 /nfs/dbraw/zinc/96/95/22/803969522.db2.gz GGYMICMAXNNJCB-JTQLQIEISA-N 2 2 274.284 0.097 20 30 CCEDLP Cc1[nH]c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(C#N)c1C ZINC001218556844 804002920 /nfs/dbraw/zinc/00/29/20/804002920.db2.gz ZVLKXRONJBGWBH-NSHDSACASA-N 2 2 272.312 0.735 20 30 CCEDLP Cc1[nH]c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(C#N)c1C ZINC001218556843 804004358 /nfs/dbraw/zinc/00/43/58/804004358.db2.gz ZVLKXRONJBGWBH-LLVKDONJSA-N 2 2 272.312 0.735 20 30 CCEDLP N#Cc1ncc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1C(F)(F)F ZINC001218658594 804067908 /nfs/dbraw/zinc/06/79/08/804067908.db2.gz GOGRMQZLICMRFJ-MUWHJKNJSA-N 2 2 299.256 0.600 20 30 CCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220052418 804487153 /nfs/dbraw/zinc/48/71/53/804487153.db2.gz YUEQFLDIWVUAEN-OLZOCXBDSA-N 2 2 292.383 0.090 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220052418 804487156 /nfs/dbraw/zinc/48/71/56/804487156.db2.gz YUEQFLDIWVUAEN-OLZOCXBDSA-N 2 2 292.383 0.090 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867082 804955989 /nfs/dbraw/zinc/95/59/89/804955989.db2.gz ISQIREHLOBYEBU-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867082 804955995 /nfs/dbraw/zinc/95/59/95/804955995.db2.gz ISQIREHLOBYEBU-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223987569 805001626 /nfs/dbraw/zinc/00/16/26/805001626.db2.gz SNOVQKBDNXOXTD-UHFFFAOYSA-N 2 2 274.368 0.735 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038111345 815067773 /nfs/dbraw/zinc/06/77/73/815067773.db2.gz RJYQOSZWEJEORL-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038111345 815067779 /nfs/dbraw/zinc/06/77/79/815067779.db2.gz RJYQOSZWEJEORL-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038111345 815067785 /nfs/dbraw/zinc/06/77/85/815067785.db2.gz RJYQOSZWEJEORL-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001038111345 815067791 /nfs/dbraw/zinc/06/77/91/815067791.db2.gz RJYQOSZWEJEORL-QWHCGFSZSA-N 2 2 251.374 0.847 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229327135 805521926 /nfs/dbraw/zinc/52/19/26/805521926.db2.gz JSNHZJOIDAPAKX-CHWSQXEVSA-N 2 2 274.368 0.993 20 30 CCEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246304882 807215252 /nfs/dbraw/zinc/21/52/52/807215252.db2.gz IMMQOSLNPKDQDR-UGFHNGPFSA-N 2 2 259.353 0.659 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246304525 807215670 /nfs/dbraw/zinc/21/56/70/807215670.db2.gz DVOFZAURCBNZOM-KBPBESRZSA-N 3 2 283.416 0.945 20 30 CCEDLP C=CC[NH+]1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC001249833677 807572694 /nfs/dbraw/zinc/57/26/94/807572694.db2.gz IKPPABLZJRMWPX-UHFFFAOYSA-N 2 2 256.419 0.226 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042756439 815134491 /nfs/dbraw/zinc/13/44/91/815134491.db2.gz PWGXCLQCVQVMBU-UKRRQHHQSA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042756439 815134492 /nfs/dbraw/zinc/13/44/92/815134492.db2.gz PWGXCLQCVQVMBU-UKRRQHHQSA-N 2 2 293.411 0.568 20 30 CCEDLP C#CCOC[C@H](O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001251848121 807716886 /nfs/dbraw/zinc/71/68/86/807716886.db2.gz UGGYUTLXENIPPY-CQSZACIVSA-N 2 2 254.374 0.413 20 30 CCEDLP C#CCOC[C@H](O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001251848121 807716890 /nfs/dbraw/zinc/71/68/90/807716890.db2.gz UGGYUTLXENIPPY-CQSZACIVSA-N 2 2 254.374 0.413 20 30 CCEDLP C=C[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001253575517 808081863 /nfs/dbraw/zinc/08/18/63/808081863.db2.gz AWMGHSSHKWMQLV-OAGGEKHMSA-N 2 2 273.380 0.992 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001076078004 815239743 /nfs/dbraw/zinc/23/97/43/815239743.db2.gz KGPMMHOEYTWTKF-UONOGXRCSA-N 2 2 286.379 0.519 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001076078004 815239747 /nfs/dbraw/zinc/23/97/47/815239747.db2.gz KGPMMHOEYTWTKF-UONOGXRCSA-N 2 2 286.379 0.519 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001262154938 809208383 /nfs/dbraw/zinc/20/83/83/809208383.db2.gz WXVWLCPCVUHAIA-ZDUSSCGKSA-N 2 2 269.389 0.331 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001262154938 809208387 /nfs/dbraw/zinc/20/83/87/809208387.db2.gz WXVWLCPCVUHAIA-ZDUSSCGKSA-N 2 2 269.389 0.331 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001265414279 809773723 /nfs/dbraw/zinc/77/37/23/809773723.db2.gz GTCHKRLXGHFEQQ-OKILXGFUSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001265414279 809773729 /nfs/dbraw/zinc/77/37/29/809773729.db2.gz GTCHKRLXGHFEQQ-OKILXGFUSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001265414279 809773731 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C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764558 375992768 /nfs/dbraw/zinc/99/27/68/375992768.db2.gz GSNRWVYYFLMKTO-OCCSQVGLSA-N 2 2 269.389 0.066 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764558 375992773 /nfs/dbraw/zinc/99/27/73/375992773.db2.gz GSNRWVYYFLMKTO-OCCSQVGLSA-N 2 2 269.389 0.066 20 30 CCEDLP C#CC[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000192238382 389029517 /nfs/dbraw/zinc/02/95/17/389029517.db2.gz DRNFPYOMUDBZDA-UHFFFAOYSA-N 2 2 286.379 0.685 20 30 CCEDLP C#CC[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000192238382 389029521 /nfs/dbraw/zinc/02/95/21/389029521.db2.gz DRNFPYOMUDBZDA-UHFFFAOYSA-N 2 2 286.379 0.685 20 30 CCEDLP C[N@@H+]1CCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000329863161 389206647 /nfs/dbraw/zinc/20/66/47/389206647.db2.gz RPYBAQATZZFYFQ-SNVBAGLBSA-N 2 2 252.318 0.629 20 30 CCEDLP C[N@H+]1CCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000329863161 389206652 /nfs/dbraw/zinc/20/66/52/389206652.db2.gz RPYBAQATZZFYFQ-SNVBAGLBSA-N 2 2 252.318 0.629 20 30 CCEDLP CC[NH+]1CCN(C([O-])=[NH+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000330420938 389227707 /nfs/dbraw/zinc/22/77/07/389227707.db2.gz ZLELJXRFMFPKBJ-GFCCVEGCSA-N 2 2 265.361 0.823 20 30 CCEDLP CC[NH+]1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000330420938 389227711 /nfs/dbraw/zinc/22/77/11/389227711.db2.gz ZLELJXRFMFPKBJ-GFCCVEGCSA-N 2 2 265.361 0.823 20 30 CCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CC1 ZINC000262676629 389292729 /nfs/dbraw/zinc/29/27/29/389292729.db2.gz RFJALIOJSOWRFB-UHFFFAOYSA-N 2 2 250.350 0.314 20 30 CCEDLP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)NC1CC1 ZINC000264056677 389304142 /nfs/dbraw/zinc/30/41/42/389304142.db2.gz BCRONEHGWAQURC-HNNXBMFYSA-N 2 2 288.395 0.954 20 30 CCEDLP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NC1CC1 ZINC000264056677 389304144 /nfs/dbraw/zinc/30/41/44/389304144.db2.gz BCRONEHGWAQURC-HNNXBMFYSA-N 2 2 288.395 0.954 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420353728 389990339 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C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000578641118 390895929 /nfs/dbraw/zinc/89/59/29/390895929.db2.gz LZBBRDZRYIKDFK-XPABHHOTSA-N 2 2 281.400 0.738 20 30 CCEDLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000578641118 390895930 /nfs/dbraw/zinc/89/59/30/390895930.db2.gz LZBBRDZRYIKDFK-XPABHHOTSA-N 2 2 281.400 0.738 20 30 CCEDLP C=CCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658116353 413100332 /nfs/dbraw/zinc/10/03/32/413100332.db2.gz JMOLYYYYEGZERJ-UHFFFAOYSA-N 2 2 267.417 0.949 20 30 CCEDLP C=CCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658116353 413100335 /nfs/dbraw/zinc/10/03/35/413100335.db2.gz JMOLYYYYEGZERJ-UHFFFAOYSA-N 2 2 267.417 0.949 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405281648 411800021 /nfs/dbraw/zinc/80/00/21/411800021.db2.gz BXIRRSJKLZWRQI-ZIAGYGMSSA-N 2 2 281.400 0.483 20 30 CCEDLP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405281648 411800024 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CCEDLP CC1(C)C[N@H+](CCNC(=[NH2+])N2CCSCC2)CCO1 ZINC000170912910 329072281 /nfs/dbraw/zinc/07/22/81/329072281.db2.gz URZRMZRKOGMTKR-UHFFFAOYSA-N 2 2 286.445 0.461 20 30 CCEDLP CC1(C)C[N@@H+](CCNC(=[NH2+])N2CCSCC2)CCO1 ZINC000170912910 329072282 /nfs/dbraw/zinc/07/22/82/329072282.db2.gz URZRMZRKOGMTKR-UHFFFAOYSA-N 2 2 286.445 0.461 20 30 CCEDLP C=C(C)CNC(=[NH2+])NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170912914 329072359 /nfs/dbraw/zinc/07/23/59/329072359.db2.gz HEYYKIWAEPEPBI-UHFFFAOYSA-N 2 2 254.378 0.578 20 30 CCEDLP C=C(C)CNC(=[NH2+])NCC[N@H+]1CCOC(C)(C)C1 ZINC000170912914 329072361 /nfs/dbraw/zinc/07/23/61/329072361.db2.gz HEYYKIWAEPEPBI-UHFFFAOYSA-N 2 2 254.378 0.578 20 30 CCEDLP N#CCC[C@@H](C#N)C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000582780382 329183817 /nfs/dbraw/zinc/18/38/17/329183817.db2.gz MPXKZRGYZHCJOJ-KBPBESRZSA-N 2 2 291.399 0.607 20 30 CCEDLP N#CCC[C@@H](C#N)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000582780382 329183818 /nfs/dbraw/zinc/18/38/18/329183818.db2.gz MPXKZRGYZHCJOJ-KBPBESRZSA-N 2 2 291.399 0.607 20 30 CCEDLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424136041 330271346 /nfs/dbraw/zinc/27/13/46/330271346.db2.gz QCXNEJPAEJWTGY-CYBMUJFWSA-N 2 2 282.388 0.188 20 30 CCEDLP CN(CCC#N)C(=O)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000459549140 331287304 /nfs/dbraw/zinc/28/73/04/331287304.db2.gz MQJPNVYOGVDTJI-UHFFFAOYSA-N 2 2 254.378 0.678 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000490799152 332116078 /nfs/dbraw/zinc/11/60/78/332116078.db2.gz CBGIUTHKELZUQK-HOTGVXAUSA-N 2 2 289.423 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)[C@@H]2CCCO2)CC1 ZINC000490934600 332130697 /nfs/dbraw/zinc/13/06/97/332130697.db2.gz JQOXPHXOGFJTGY-CABCVRRESA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000491048042 332143349 /nfs/dbraw/zinc/14/33/49/332143349.db2.gz WRPZLXVJMILVLI-LSDHHAIUSA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OC)C[C@H]2C)CC1 ZINC000491325941 332189993 /nfs/dbraw/zinc/18/99/93/332189993.db2.gz IIYMJBPVJPGCFA-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OC)C[C@H]2C)CC1 ZINC000491325941 332189994 /nfs/dbraw/zinc/18/99/94/332189994.db2.gz IIYMJBPVJPGCFA-HUUCEWRRSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000491692166 332288925 /nfs/dbraw/zinc/28/89/25/332288925.db2.gz QMCUJJUXEKPVOA-ZDUSSCGKSA-N 2 2 251.374 0.447 20 30 CCEDLP C#CCNC(=O)CC[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000491692166 332288926 /nfs/dbraw/zinc/28/89/26/332288926.db2.gz QMCUJJUXEKPVOA-ZDUSSCGKSA-N 2 2 251.374 0.447 20 30 CCEDLP C#C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000491745476 332322992 /nfs/dbraw/zinc/32/29/92/332322992.db2.gz WYANNGWRZBKTGJ-OAHLLOKOSA-N 2 2 294.443 0.969 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)C(C)C)CC1 ZINC000491813821 332365509 /nfs/dbraw/zinc/36/55/09/332365509.db2.gz QUBZTVJKGYACQN-CQSZACIVSA-N 2 2 265.401 0.740 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)C(C)C)CC1 ZINC000491813821 332365510 /nfs/dbraw/zinc/36/55/10/332365510.db2.gz QUBZTVJKGYACQN-CQSZACIVSA-N 2 2 265.401 0.740 20 30 CCEDLP C[N@H+]1CCC[C@@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000523675387 333337115 /nfs/dbraw/zinc/33/71/15/333337115.db2.gz ORPGSIDMRRFTPH-LLVKDONJSA-N 2 2 250.346 0.185 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000081571249 334197357 /nfs/dbraw/zinc/19/73/57/334197357.db2.gz BMDVUMBTVWTOST-ZDUSSCGKSA-N 2 2 253.390 0.952 20 30 CCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000081571249 334197359 /nfs/dbraw/zinc/19/73/59/334197359.db2.gz BMDVUMBTVWTOST-ZDUSSCGKSA-N 2 2 253.390 0.952 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081571249 334197361 /nfs/dbraw/zinc/19/73/61/334197361.db2.gz BMDVUMBTVWTOST-ZDUSSCGKSA-N 2 2 253.390 0.952 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081571249 334197362 /nfs/dbraw/zinc/19/73/62/334197362.db2.gz BMDVUMBTVWTOST-ZDUSSCGKSA-N 2 2 253.390 0.952 20 30 CCEDLP C=CC[C@H](CO)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000564975392 334531681 /nfs/dbraw/zinc/53/16/81/334531681.db2.gz OPNCUENXXRANGY-AJNGGQMLSA-N 2 2 286.416 0.231 20 30 CCEDLP C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C[NH+]1CCOCC1 ZINC000567160885 334686038 /nfs/dbraw/zinc/68/60/38/334686038.db2.gz BCZDCGRTLNVBSP-KBPBESRZSA-N 2 2 264.373 0.988 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581072031 336004021 /nfs/dbraw/zinc/00/40/21/336004021.db2.gz KQAWJZKJUUZEJH-JSGCOSHPSA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581072031 336004023 /nfs/dbraw/zinc/00/40/23/336004023.db2.gz KQAWJZKJUUZEJH-JSGCOSHPSA-N 2 2 251.374 0.753 20 30 CCEDLP C=CCNC(=O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000347329124 526569467 /nfs/dbraw/zinc/56/94/67/526569467.db2.gz GWMHUQDERLBXCB-UHFFFAOYSA-N 2 2 288.395 0.938 20 30 CCEDLP C=C[C@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667642300 545152358 /nfs/dbraw/zinc/15/23/58/545152358.db2.gz WGRFMKZAPRGIRL-AWEZNQCLSA-N 2 2 281.400 0.208 20 30 CCEDLP C=CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681207549 545445659 /nfs/dbraw/zinc/44/56/59/545445659.db2.gz FQENVFBJAVVTSW-CQSZACIVSA-N 2 2 280.416 0.982 20 30 CCEDLP C=CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681207549 545445660 /nfs/dbraw/zinc/44/56/60/545445660.db2.gz FQENVFBJAVVTSW-CQSZACIVSA-N 2 2 280.416 0.982 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000783531673 581348533 /nfs/dbraw/zinc/34/85/33/581348533.db2.gz KJOZYNBISPPCNA-RYUDHWBXSA-N 2 2 260.403 0.660 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000783531673 581348534 /nfs/dbraw/zinc/34/85/34/581348534.db2.gz KJOZYNBISPPCNA-RYUDHWBXSA-N 2 2 260.403 0.660 20 30 CCEDLP COCCN(C)[NH+]=Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000794963725 581392871 /nfs/dbraw/zinc/39/28/71/581392871.db2.gz HLPLIDUPPYDNPI-UHFFFAOYSA-N 2 2 292.387 0.141 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733982733 581539856 /nfs/dbraw/zinc/53/98/56/581539856.db2.gz FVFDOEACSRMOHI-ZDUSSCGKSA-N 2 2 258.325 0.364 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000733982733 581539858 /nfs/dbraw/zinc/53/98/58/581539858.db2.gz FVFDOEACSRMOHI-ZDUSSCGKSA-N 2 2 258.325 0.364 20 30 CCEDLP C#CCN(CC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734282123 581554827 /nfs/dbraw/zinc/55/48/27/581554827.db2.gz SETHZBBDPKEVED-AWEZNQCLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CCN(CC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734282123 581554829 /nfs/dbraw/zinc/55/48/29/581554829.db2.gz SETHZBBDPKEVED-AWEZNQCLSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000756131321 581657729 /nfs/dbraw/zinc/65/77/29/581657729.db2.gz UPITVBFDICTKEP-KGLIPLIRSA-N 2 2 286.379 0.834 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000756131321 581657730 /nfs/dbraw/zinc/65/77/30/581657730.db2.gz UPITVBFDICTKEP-KGLIPLIRSA-N 2 2 286.379 0.834 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000730271188 581688906 /nfs/dbraw/zinc/68/89/06/581688906.db2.gz OCLBANHEWZASJI-HNNXBMFYSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000730284377 581692137 /nfs/dbraw/zinc/69/21/37/581692137.db2.gz OLRODXPMWWMBCF-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000730284377 581692139 /nfs/dbraw/zinc/69/21/39/581692139.db2.gz OLRODXPMWWMBCF-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000730284377 581692141 /nfs/dbraw/zinc/69/21/41/581692141.db2.gz OLRODXPMWWMBCF-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000730284377 581692142 /nfs/dbraw/zinc/69/21/42/581692142.db2.gz OLRODXPMWWMBCF-AWEZNQCLSA-N 2 2 293.411 0.311 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852109125 612948088 /nfs/dbraw/zinc/94/80/88/612948088.db2.gz WBYLJJRURUQBSZ-HIFRSBDPSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852109125 612948089 /nfs/dbraw/zinc/94/80/89/612948089.db2.gz WBYLJJRURUQBSZ-HIFRSBDPSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852109125 612948090 /nfs/dbraw/zinc/94/80/90/612948090.db2.gz WBYLJJRURUQBSZ-HIFRSBDPSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852109125 612948091 /nfs/dbraw/zinc/94/80/91/612948091.db2.gz WBYLJJRURUQBSZ-HIFRSBDPSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCSCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896324554 613014067 /nfs/dbraw/zinc/01/40/67/613014067.db2.gz FEIVUHBEGGBUSJ-ZDUSSCGKSA-N 2 2 295.452 0.638 20 30 CCEDLP C#CCSCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896324554 613014068 /nfs/dbraw/zinc/01/40/68/613014068.db2.gz FEIVUHBEGGBUSJ-ZDUSSCGKSA-N 2 2 295.452 0.638 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000970224290 612963044 /nfs/dbraw/zinc/96/30/44/612963044.db2.gz MTLOCQVEBIRODH-VXGBXAGGSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000970224290 612963046 /nfs/dbraw/zinc/96/30/46/612963046.db2.gz MTLOCQVEBIRODH-VXGBXAGGSA-N 2 2 260.341 0.412 20 30 CCEDLP C#CCC[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000851872346 613011725 /nfs/dbraw/zinc/01/17/25/613011725.db2.gz COQNZIUAFGYDKU-IYBDPMFKSA-N 2 2 279.428 0.737 20 30 CCEDLP C#CCC[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000851872346 613011726 /nfs/dbraw/zinc/01/17/26/613011726.db2.gz COQNZIUAFGYDKU-IYBDPMFKSA-N 2 2 279.428 0.737 20 30 CCEDLP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](C)CC1 ZINC000886575832 613066401 /nfs/dbraw/zinc/06/64/01/613066401.db2.gz MHJOUNFEPCBWEO-UHFFFAOYSA-N 2 2 260.341 0.508 20 30 CCEDLP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](C)CC1 ZINC000886577862 613066494 /nfs/dbraw/zinc/06/64/94/613066494.db2.gz ZYXYPRIPKWNMNT-UHFFFAOYSA-N 2 2 274.368 0.817 20 30 CCEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000818603324 613077668 /nfs/dbraw/zinc/07/76/68/613077668.db2.gz YDZKTEDTFZUQLQ-CYBMUJFWSA-N 2 2 274.368 0.517 20 30 CCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000818603324 613077669 /nfs/dbraw/zinc/07/76/69/613077669.db2.gz YDZKTEDTFZUQLQ-CYBMUJFWSA-N 2 2 274.368 0.517 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000971833095 613094090 /nfs/dbraw/zinc/09/40/90/613094090.db2.gz QELRDYNQSOLGAD-LBPRGKRZSA-N 2 2 290.367 0.516 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000971833095 613094092 /nfs/dbraw/zinc/09/40/92/613094092.db2.gz QELRDYNQSOLGAD-LBPRGKRZSA-N 2 2 290.367 0.516 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2C(N)=O)C1 ZINC000884612278 613164618 /nfs/dbraw/zinc/16/46/18/613164618.db2.gz IQULALUQVVFGNR-LLVKDONJSA-N 2 2 258.325 0.112 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]cc2C(N)=O)C1 ZINC000884612278 613164620 /nfs/dbraw/zinc/16/46/20/613164620.db2.gz IQULALUQVVFGNR-LLVKDONJSA-N 2 2 258.325 0.112 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000923573238 613172226 /nfs/dbraw/zinc/17/22/26/613172226.db2.gz NWKMTXQTDZMWJN-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000923573238 613172228 /nfs/dbraw/zinc/17/22/28/613172228.db2.gz NWKMTXQTDZMWJN-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000923573238 613172229 /nfs/dbraw/zinc/17/22/29/613172229.db2.gz NWKMTXQTDZMWJN-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000923573238 613172233 /nfs/dbraw/zinc/17/22/33/613172233.db2.gz NWKMTXQTDZMWJN-KGLIPLIRSA-N 2 2 263.385 0.685 20 30 CCEDLP C#CCN1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000905460003 613192673 /nfs/dbraw/zinc/19/26/73/613192673.db2.gz JNMOWHXAAGVJRE-DZGCQCFKSA-N 2 2 265.401 0.129 20 30 CCEDLP C#CCN1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000905460003 613192674 /nfs/dbraw/zinc/19/26/74/613192674.db2.gz JNMOWHXAAGVJRE-DZGCQCFKSA-N 2 2 265.401 0.129 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905463146 613192789 /nfs/dbraw/zinc/19/27/89/613192789.db2.gz XRSIXPZFYKZWMX-LSDHHAIUSA-N 2 2 265.401 0.130 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905463146 613192791 /nfs/dbraw/zinc/19/27/91/613192791.db2.gz XRSIXPZFYKZWMX-LSDHHAIUSA-N 2 2 265.401 0.130 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC000974684246 613201558 /nfs/dbraw/zinc/20/15/58/613201558.db2.gz GZMVHXXLLVPZDV-UONOGXRCSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC000974684246 613201559 /nfs/dbraw/zinc/20/15/59/613201559.db2.gz GZMVHXXLLVPZDV-UONOGXRCSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC)CC1(C)C ZINC000974684246 613201560 /nfs/dbraw/zinc/20/15/60/613201560.db2.gz GZMVHXXLLVPZDV-UONOGXRCSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC)CC1(C)C ZINC000974684246 613201561 /nfs/dbraw/zinc/20/15/61/613201561.db2.gz GZMVHXXLLVPZDV-UONOGXRCSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648672 613228750 /nfs/dbraw/zinc/22/87/50/613228750.db2.gz GNHKRGKVMPGCQX-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648672 613228751 /nfs/dbraw/zinc/22/87/51/613228751.db2.gz GNHKRGKVMPGCQX-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648672 613228754 /nfs/dbraw/zinc/22/87/54/613228754.db2.gz GNHKRGKVMPGCQX-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648672 613228755 /nfs/dbraw/zinc/22/87/55/613228755.db2.gz GNHKRGKVMPGCQX-UONOGXRCSA-N 2 2 293.411 0.167 20 30 CCEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000949830269 613245642 /nfs/dbraw/zinc/24/56/42/613245642.db2.gz HROGZHQSMUGCMF-OAHLLOKOSA-N 2 2 295.427 0.816 20 30 CCEDLP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000949830269 613245645 /nfs/dbraw/zinc/24/56/45/613245645.db2.gz HROGZHQSMUGCMF-OAHLLOKOSA-N 2 2 295.427 0.816 20 30 CCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974751395 613299047 /nfs/dbraw/zinc/29/90/47/613299047.db2.gz INZMTUYIHWEZKZ-MCIONIFRSA-N 2 2 293.411 0.165 20 30 CCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974751395 613299049 /nfs/dbraw/zinc/29/90/49/613299049.db2.gz INZMTUYIHWEZKZ-MCIONIFRSA-N 2 2 293.411 0.165 20 30 CCEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974751395 613299051 /nfs/dbraw/zinc/29/90/51/613299051.db2.gz 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CON=CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000809721199 617103439 /nfs/dbraw/zinc/10/34/39/617103439.db2.gz VGTHUDLELLLYAH-CYBMUJFWSA-N 2 2 282.388 0.246 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001026401844 625431677 /nfs/dbraw/zinc/43/16/77/625431677.db2.gz ZEUZAIHHGJJXRY-NWANDNLSSA-N 2 2 286.379 0.422 20 30 CCEDLP C=CC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985817435 632648264 /nfs/dbraw/zinc/64/82/64/632648264.db2.gz WIJMRSGTHVOOSP-UHFFFAOYSA-N 2 2 262.357 0.992 20 30 CCEDLP C=CC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985817435 632648267 /nfs/dbraw/zinc/64/82/67/632648267.db2.gz WIJMRSGTHVOOSP-UHFFFAOYSA-N 2 2 262.357 0.992 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001014998429 637289677 /nfs/dbraw/zinc/28/96/77/637289677.db2.gz BIVYGVUIWGCDLX-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001014998429 637289682 /nfs/dbraw/zinc/28/96/82/637289682.db2.gz BIVYGVUIWGCDLX-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994219770 637877601 /nfs/dbraw/zinc/87/76/01/637877601.db2.gz BPEYTKXYZGKJNZ-DZGCQCFKSA-N 2 2 288.395 0.955 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994219770 637877604 /nfs/dbraw/zinc/87/76/04/637877604.db2.gz BPEYTKXYZGKJNZ-DZGCQCFKSA-N 2 2 288.395 0.955 20 30 CCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996353940 638816304 /nfs/dbraw/zinc/81/63/04/638816304.db2.gz FQBJLKZWGABXTL-GFCCVEGCSA-N 2 2 262.357 0.965 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996516224 638821282 /nfs/dbraw/zinc/82/12/82/638821282.db2.gz YJPJDLHXGFLTHE-ZDUSSCGKSA-N 2 2 274.368 0.422 20 30 CCEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809573051 640900473 /nfs/dbraw/zinc/90/04/73/640900473.db2.gz CEADJRVGJKQGBE-BZUAXINKSA-N 2 2 294.443 0.751 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015781132 650628495 /nfs/dbraw/zinc/62/84/95/650628495.db2.gz JDDXYRJWHNFPGA-CYBMUJFWSA-N 2 2 274.368 0.830 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001015781132 650628498 /nfs/dbraw/zinc/62/84/98/650628498.db2.gz JDDXYRJWHNFPGA-CYBMUJFWSA-N 2 2 274.368 0.830 20 30 CCEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016994410 650776119 /nfs/dbraw/zinc/77/61/19/650776119.db2.gz LFPKWCCJSRSLFX-CYBMUJFWSA-N 2 2 272.352 0.487 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019437612 650973284 /nfs/dbraw/zinc/97/32/84/650973284.db2.gz RYJXSUXLHPOALR-JTQLQIEISA-N 2 2 268.748 0.895 20 30 CCEDLP CC(C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000303790555 649825004 /nfs/dbraw/zinc/82/50/04/649825004.db2.gz WKGCWGRTRZCLKN-GFCCVEGCSA-N 2 2 256.394 0.656 20 30 CCEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001266958001 791394130 /nfs/dbraw/zinc/39/41/30/791394130.db2.gz CDNHGMGZTHPOCM-ZDUSSCGKSA-N 2 2 278.356 0.017 20 30 CCEDLP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267058936 791488390 /nfs/dbraw/zinc/48/83/90/791488390.db2.gz RKEGFEXVQXWKEZ-GFCCVEGCSA-N 2 2 262.357 0.966 20 30 CCEDLP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267133736 791580041 /nfs/dbraw/zinc/58/00/41/791580041.db2.gz LXWPVDSLWUFJNH-CHWSQXEVSA-N 2 2 274.368 0.563 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235352493 806412761 /nfs/dbraw/zinc/41/27/61/806412761.db2.gz BNMRALWMVGLANJ-CYBMUJFWSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235352493 806412770 /nfs/dbraw/zinc/41/27/70/806412770.db2.gz BNMRALWMVGLANJ-CYBMUJFWSA-N 2 2 263.385 0.637 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215491 800028368 /nfs/dbraw/zinc/02/83/68/800028368.db2.gz UPCXYVSBZMNGGO-CYBMUJFWSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149654373 800288755 /nfs/dbraw/zinc/28/87/55/800288755.db2.gz WDWFRAFVJOLSES-ZDUSSCGKSA-N 2 2 290.367 0.183 20 30 CCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149654373 800288761 /nfs/dbraw/zinc/28/87/61/800288761.db2.gz WDWFRAFVJOLSES-ZDUSSCGKSA-N 2 2 290.367 0.183 20 30 CCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054433 800314646 /nfs/dbraw/zinc/31/46/46/800314646.db2.gz UBTUNUOQOGPJIR-CQSZACIVSA-N 2 2 290.367 0.114 20 30 CCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054433 800314650 /nfs/dbraw/zinc/31/46/50/800314650.db2.gz UBTUNUOQOGPJIR-CQSZACIVSA-N 2 2 290.367 0.114 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371153 800333083 /nfs/dbraw/zinc/33/30/83/800333083.db2.gz GQGRRKMBXPWHED-CYBMUJFWSA-N 2 2 278.356 0.345 20 30 CCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371153 800333089 /nfs/dbraw/zinc/33/30/89/800333089.db2.gz GQGRRKMBXPWHED-CYBMUJFWSA-N 2 2 278.356 0.345 20 30 CCEDLP COc1cc(C#N)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158206536 801593986 /nfs/dbraw/zinc/59/39/86/801593986.db2.gz UHBMYCZZFHYZMQ-SECBINFHSA-N 2 2 273.296 0.010 20 30 CCEDLP N#Cc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(C#N)c1 ZINC001158258944 801608332 /nfs/dbraw/zinc/60/83/32/801608332.db2.gz MOMGDWGMPWBHFO-CQSZACIVSA-N 2 2 296.378 0.827 20 30 CCEDLP N#Cc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(C#N)c1 ZINC001158258944 801608337 /nfs/dbraw/zinc/60/83/37/801608337.db2.gz MOMGDWGMPWBHFO-CQSZACIVSA-N 2 2 296.378 0.827 20 30 CCEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326444 801930546 /nfs/dbraw/zinc/93/05/46/801930546.db2.gz KYYBKGOLKMTZFO-CHWSQXEVSA-N 2 2 290.367 0.259 20 30 CCEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326444 801930548 /nfs/dbraw/zinc/93/05/48/801930548.db2.gz KYYBKGOLKMTZFO-CHWSQXEVSA-N 2 2 290.367 0.259 20 30 CCEDLP N#Cc1nc(Cl)cnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160510705 801955446 /nfs/dbraw/zinc/95/54/46/801955446.db2.gz ITKGOEXPLCPRPN-ZDUSSCGKSA-N 2 2 292.774 0.837 20 30 CCEDLP Cc1cnc(NCC[NH+]2CCC([NH3+])CC2)c(C#N)n1 ZINC001161870495 802236176 /nfs/dbraw/zinc/23/61/76/802236176.db2.gz LAVLLFVNCKKYHM-UHFFFAOYSA-N 2 2 260.345 0.492 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001163274716 802526603 /nfs/dbraw/zinc/52/66/03/802526603.db2.gz DIPHZKWJCANTPT-OAHLLOKOSA-N 2 2 295.427 0.607 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001163274716 802526607 /nfs/dbraw/zinc/52/66/07/802526607.db2.gz DIPHZKWJCANTPT-OAHLLOKOSA-N 2 2 295.427 0.607 20 30 CCEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203444970 803028413 /nfs/dbraw/zinc/02/84/13/803028413.db2.gz WRWTYHSBVHVONJ-UONOGXRCSA-N 2 2 286.379 0.993 20 30 CCEDLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000402168540 803815930 /nfs/dbraw/zinc/81/59/30/803815930.db2.gz AOZSWJCAFBEEEA-DGCLKSJQSA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000402168540 803815940 /nfs/dbraw/zinc/81/59/40/803815940.db2.gz AOZSWJCAFBEEEA-DGCLKSJQSA-N 2 2 263.341 0.577 20 30 CCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216565480 803844241 /nfs/dbraw/zinc/84/42/41/803844241.db2.gz LWFLXWGVWAGLFR-BXUZGUMPSA-N 2 2 274.368 0.720 20 30 CCEDLP Cc1cc(C#N)c(NC(=O)C2([NH3+])CC[NH2+]CC2)s1 ZINC001218553508 804001259 /nfs/dbraw/zinc/00/12/59/804001259.db2.gz DCHYCDWVKAYIME-UHFFFAOYSA-N 2 2 264.354 0.948 20 30 CCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@@H+](C)CCC)[C@H]2C1 ZINC001219003221 804181974 /nfs/dbraw/zinc/18/19/74/804181974.db2.gz ZWOLDGLWMJGVQO-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219003221 804181976 /nfs/dbraw/zinc/18/19/76/804181976.db2.gz ZWOLDGLWMJGVQO-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219003221 804181979 /nfs/dbraw/zinc/18/19/79/804181979.db2.gz ZWOLDGLWMJGVQO-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219003221 804181983 /nfs/dbraw/zinc/18/19/83/804181983.db2.gz ZWOLDGLWMJGVQO-LSDHHAIUSA-N 2 2 293.411 0.263 20 30 CCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774311 804420076 /nfs/dbraw/zinc/42/00/76/804420076.db2.gz IUGIFEGRJNGMIX-KGLIPLIRSA-N 2 2 292.383 0.470 20 30 CCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774311 804420082 /nfs/dbraw/zinc/42/00/82/804420082.db2.gz IUGIFEGRJNGMIX-KGLIPLIRSA-N 2 2 292.383 0.470 20 30 CCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774311 804420089 /nfs/dbraw/zinc/42/00/89/804420089.db2.gz IUGIFEGRJNGMIX-KGLIPLIRSA-N 2 2 292.383 0.470 20 30 CCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774311 804420091 /nfs/dbraw/zinc/42/00/91/804420091.db2.gz IUGIFEGRJNGMIX-KGLIPLIRSA-N 2 2 292.383 0.470 20 30 CCEDLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)[nH+]1 ZINC001219952545 804455988 /nfs/dbraw/zinc/45/59/88/804455988.db2.gz XRCHABPTJDXGET-AWEZNQCLSA-N 2 2 297.362 0.819 20 30 CCEDLP N#Cc1cc[nH]c1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099364 804868698 /nfs/dbraw/zinc/86/86/98/804868698.db2.gz CHWGFJFIJFHGEO-UHFFFAOYSA-N 2 2 259.357 0.414 20 30 CCEDLP N#Cc1cc[nH]c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099364 804868705 /nfs/dbraw/zinc/86/87/05/804868705.db2.gz CHWGFJFIJFHGEO-UHFFFAOYSA-N 2 2 259.357 0.414 20 30 CCEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098745 804869006 /nfs/dbraw/zinc/86/90/06/804869006.db2.gz PHJJFFFDMIEJPT-CYBMUJFWSA-N 2 2 260.341 0.487 20 30 CCEDLP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001276987833 805066377 /nfs/dbraw/zinc/06/63/77/805066377.db2.gz NUSSMALYJXYYHF-MQMHXKEQSA-N 2 2 274.368 0.850 20 30 CCEDLP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001276987833 805066388 /nfs/dbraw/zinc/06/63/88/805066388.db2.gz NUSSMALYJXYYHF-MQMHXKEQSA-N 2 2 274.368 0.850 20 30 CCEDLP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001278390328 807060325 /nfs/dbraw/zinc/06/03/25/807060325.db2.gz GRVPBSQHOSKWHZ-ZIAGYGMSSA-N 2 2 288.395 0.955 20 30 CCEDLP C=CCC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001245978707 807105017 /nfs/dbraw/zinc/10/50/17/807105017.db2.gz PFQZMLQIGAOGSI-RYUDHWBXSA-N 2 2 258.362 0.574 20 30 CCEDLP C=CCOC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246034756 807129225 /nfs/dbraw/zinc/12/92/25/807129225.db2.gz RAFHOGSTUBTDAB-KBPBESRZSA-N 2 2 254.374 0.768 20 30 CCEDLP C=CCOC[C@@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246034756 807129230 /nfs/dbraw/zinc/12/92/30/807129230.db2.gz RAFHOGSTUBTDAB-KBPBESRZSA-N 2 2 254.374 0.768 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989735926 815092053 /nfs/dbraw/zinc/09/20/53/815092053.db2.gz JFSZAZYBZOVTAJ-QWHCGFSZSA-N 2 2 274.368 0.565 20 30 CCEDLP C=CCOC1CCC([N@H+]2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246932756 807434246 /nfs/dbraw/zinc/43/42/46/807434246.db2.gz HKVNCHBPZVHHHN-HOAMVYINSA-N 2 2 282.384 0.932 20 30 CCEDLP C=CCOC1CCC([N@@H+]2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246932756 807434252 /nfs/dbraw/zinc/43/42/52/807434252.db2.gz HKVNCHBPZVHHHN-HOAMVYINSA-N 2 2 282.384 0.932 20 30 CCEDLP C#CCOC[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001251821552 807708643 /nfs/dbraw/zinc/70/86/43/807708643.db2.gz RFWMCYUCTIPKHR-OAHLLOKOSA-N 2 2 266.385 0.557 20 30 CCEDLP C#CCOC[C@@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001251857792 807725462 /nfs/dbraw/zinc/72/54/62/807725462.db2.gz KFHXVQMBTWCQQR-ZDUSSCGKSA-N 2 2 251.330 0.216 20 30 CCEDLP C#CCOC[C@@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001251857792 807725466 /nfs/dbraw/zinc/72/54/66/807725466.db2.gz KFHXVQMBTWCQQR-ZDUSSCGKSA-N 2 2 251.330 0.216 20 30 CCEDLP C=C[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001253577436 808084780 /nfs/dbraw/zinc/08/47/80/808084780.db2.gz NGKVOHWCPNSTDQ-DZKIICNBSA-N 2 2 273.380 0.992 20 30 CCEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001263812177 809575504 /nfs/dbraw/zinc/57/55/04/809575504.db2.gz IOKYGWXMELIXLK-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001263812177 809575506 /nfs/dbraw/zinc/57/55/06/809575506.db2.gz IOKYGWXMELIXLK-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001263812177 809575508 /nfs/dbraw/zinc/57/55/08/809575508.db2.gz IOKYGWXMELIXLK-CABCVRRESA-N 2 2 277.412 0.884 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001264408260 809653121 /nfs/dbraw/zinc/65/31/21/809653121.db2.gz ALNVRCNLXSSBGC-TXEJJXNPSA-N 2 2 262.357 0.633 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265317176 809757648 /nfs/dbraw/zinc/75/76/48/809757648.db2.gz KNRFJXFAVFXIGW-CQSZACIVSA-N 2 2 290.367 0.032 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001265317176 809757650 /nfs/dbraw/zinc/75/76/50/809757650.db2.gz KNRFJXFAVFXIGW-CQSZACIVSA-N 2 2 290.367 0.032 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265485070 809790032 /nfs/dbraw/zinc/79/00/32/809790032.db2.gz WTHCGEHYEUCKHG-IHRRRGAJSA-N 2 2 286.379 0.706 20 30 CCEDLP C#CCC[N@H+](CC)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001266089365 809933602 /nfs/dbraw/zinc/93/36/02/809933602.db2.gz JBSQKSNUKLJOHV-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP C#CCC[N@@H+](CC)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001266089365 809933606 /nfs/dbraw/zinc/93/36/06/809933606.db2.gz JBSQKSNUKLJOHV-UHFFFAOYSA-N 2 2 262.357 0.804 20 30 CCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1=CC(=O)CCC1 ZINC001219883932 811706812 /nfs/dbraw/zinc/70/68/12/811706812.db2.gz YZVCMUKXIXTSCE-LBPRGKRZSA-N 2 2 262.313 0.043 20 30 CCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001267959071 811894216 /nfs/dbraw/zinc/89/42/16/811894216.db2.gz MEDWLODYXHCNRR-GFCCVEGCSA-N 2 2 290.367 0.564 20 30 CCEDLP N#Cc1cccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211755332 812670658 /nfs/dbraw/zinc/67/06/58/812670658.db2.gz HPPWWRZANQGDJD-QWRGUYRKSA-N 2 2 255.281 0.622 20 30 CCEDLP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075644774 812781064 /nfs/dbraw/zinc/78/10/64/812781064.db2.gz AIGBTYFFWUTDGU-MJBXVCDLSA-N 2 2 279.384 0.036 20 30 CCEDLP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644774 812781074 /nfs/dbraw/zinc/78/10/74/812781074.db2.gz AIGBTYFFWUTDGU-MJBXVCDLSA-N 2 2 279.384 0.036 20 30 CCEDLP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075644774 812781082 /nfs/dbraw/zinc/78/10/82/812781082.db2.gz AIGBTYFFWUTDGU-MJBXVCDLSA-N 2 2 279.384 0.036 20 30 CCEDLP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268735801 813055218 /nfs/dbraw/zinc/05/52/18/813055218.db2.gz NLCSWZSFUICYSN-KBPBESRZSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268735801 813055228 /nfs/dbraw/zinc/05/52/28/813055228.db2.gz NLCSWZSFUICYSN-KBPBESRZSA-N 2 2 288.395 0.905 20 30 CCEDLP C#CCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001269522241 813403303 /nfs/dbraw/zinc/40/33/03/813403303.db2.gz MFNLKFDPHXLTFK-UHFFFAOYSA-N 2 2 260.341 0.224 20 30 CCEDLP C#CC[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088434213 814686070 /nfs/dbraw/zinc/68/60/70/814686070.db2.gz SCCJDOKIBMHXOJ-AWEZNQCLSA-N 2 2 274.368 0.877 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044290608 818337508 /nfs/dbraw/zinc/33/75/08/818337508.db2.gz UVJPOXNHLYMQSR-LBPRGKRZSA-N 2 2 251.374 0.657 20 30 CCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001044290608 818337512 /nfs/dbraw/zinc/33/75/12/818337512.db2.gz UVJPOXNHLYMQSR-LBPRGKRZSA-N 2 2 251.374 0.657 20 30 CCEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncccc2CC#N)CC1 ZINC001168737202 818559915 /nfs/dbraw/zinc/55/99/15/818559915.db2.gz XJXOUYXCHIIIOS-UHFFFAOYSA-N 2 2 258.329 0.742 20 30 CCEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034503510 819224099 /nfs/dbraw/zinc/22/40/99/819224099.db2.gz ODWRGSLZSWAJRL-ZDUSSCGKSA-N 2 2 274.368 0.865 20 30 CCEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034503510 819224106 /nfs/dbraw/zinc/22/41/06/819224106.db2.gz ODWRGSLZSWAJRL-ZDUSSCGKSA-N 2 2 274.368 0.865 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001035370555 819493959 /nfs/dbraw/zinc/49/39/59/819493959.db2.gz CCAFPFHMUSTWMM-HZSPNIEDSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035370555 819493964 /nfs/dbraw/zinc/49/39/64/819493964.db2.gz CCAFPFHMUSTWMM-HZSPNIEDSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035370555 819493970 /nfs/dbraw/zinc/49/39/70/819493970.db2.gz CCAFPFHMUSTWMM-HZSPNIEDSA-N 2 2 281.400 0.330 20 30 CCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001035370555 819493974 /nfs/dbraw/zinc/49/39/74/819493974.db2.gz CCAFPFHMUSTWMM-HZSPNIEDSA-N 2 2 281.400 0.330 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001035403093 819508045 /nfs/dbraw/zinc/50/80/45/819508045.db2.gz UTCAZZHNDRRFME-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001035403093 819508049 /nfs/dbraw/zinc/50/80/49/819508049.db2.gz UTCAZZHNDRRFME-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C(C)C)CCO1 ZINC001035403093 819508051 /nfs/dbraw/zinc/50/80/51/819508051.db2.gz UTCAZZHNDRRFME-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C(C)C)CCO1 ZINC001035403093 819508053 /nfs/dbraw/zinc/50/80/53/819508053.db2.gz UTCAZZHNDRRFME-CABCVRRESA-N 2 2 293.411 0.309 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035604811 819574123 /nfs/dbraw/zinc/57/41/23/819574123.db2.gz OXTVPWLWOQBPGI-UONOGXRCSA-N 2 2 281.400 0.331 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035604811 819574129 /nfs/dbraw/zinc/57/41/29/819574129.db2.gz OXTVPWLWOQBPGI-UONOGXRCSA-N 2 2 281.400 0.331 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035604811 819574134 /nfs/dbraw/zinc/57/41/34/819574134.db2.gz OXTVPWLWOQBPGI-UONOGXRCSA-N 2 2 281.400 0.331 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035604811 819574143 /nfs/dbraw/zinc/57/41/43/819574143.db2.gz OXTVPWLWOQBPGI-UONOGXRCSA-N 2 2 281.400 0.331 20 30 CCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080470417 820579756 /nfs/dbraw/zinc/57/97/56/820579756.db2.gz SSTURZMADPOHFM-AAVRWANBSA-N 2 2 286.379 0.593 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080470417 820579762 /nfs/dbraw/zinc/57/97/62/820579762.db2.gz SSTURZMADPOHFM-AAVRWANBSA-N 2 2 286.379 0.593 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C 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ZINC000152349323 188012195 /nfs/dbraw/zinc/01/21/95/188012195.db2.gz OJUVVPLZSHGLCV-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152349323 188012197 /nfs/dbraw/zinc/01/21/97/188012197.db2.gz OJUVVPLZSHGLCV-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152349323 188012198 /nfs/dbraw/zinc/01/21/98/188012198.db2.gz OJUVVPLZSHGLCV-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152349323 188012200 /nfs/dbraw/zinc/01/22/00/188012200.db2.gz OJUVVPLZSHGLCV-QWHCGFSZSA-N 2 2 296.415 0.660 20 30 CCEDLP N#Cc1csc(C[NH2+]CCC[NH+]2CCC(O)CC2)n1 ZINC000352826753 356091237 /nfs/dbraw/zinc/09/12/37/356091237.db2.gz WXDTXCOOACHRNF-UHFFFAOYSA-N 2 2 280.397 0.951 20 30 CCEDLP C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000619718157 366338327 /nfs/dbraw/zinc/33/83/27/366338327.db2.gz BTPFWQPTDFLWMQ-HUUCEWRRSA-N 2 2 295.427 0.814 20 30 CCEDLP C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000619718157 366338332 /nfs/dbraw/zinc/33/83/32/366338332.db2.gz BTPFWQPTDFLWMQ-HUUCEWRRSA-N 2 2 295.427 0.814 20 30 CCEDLP C[NH+]1CCN(C(=O)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000610540387 363574218 /nfs/dbraw/zinc/57/42/18/363574218.db2.gz PHDOWGCOKUYHGV-UHFFFAOYSA-N 2 2 266.389 0.680 20 30 CCEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000570726682 358889266 /nfs/dbraw/zinc/88/92/66/358889266.db2.gz FDZOFFYXJXWNRV-MRXNPFEDSA-N 2 2 298.390 0.954 20 30 CCEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000570726682 358889268 /nfs/dbraw/zinc/88/92/68/358889268.db2.gz FDZOFFYXJXWNRV-MRXNPFEDSA-N 2 2 298.390 0.954 20 30 CCEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000573792929 358999317 /nfs/dbraw/zinc/99/93/17/358999317.db2.gz FOHISLWFYCDSKL-LJIZCISZSA-N 2 2 298.427 0.780 20 30 CCEDLP C[NH+](C)CCN1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1=O ZINC000593052258 360020939 /nfs/dbraw/zinc/02/09/39/360020939.db2.gz PAZSSVWVKPMKBU-STQMWFEESA-N 2 2 264.373 0.384 20 30 CCEDLP C[NH+](C)CCN1CC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1=O ZINC000593052258 360020944 /nfs/dbraw/zinc/02/09/44/360020944.db2.gz PAZSSVWVKPMKBU-STQMWFEESA-N 2 2 264.373 0.384 20 30 CCEDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(C#N)CCCCC1 ZINC000595943927 360720929 /nfs/dbraw/zinc/72/09/29/360720929.db2.gz PSKTWVQRRBIYOH-LBPRGKRZSA-N 2 2 266.389 0.856 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595898847 360696376 /nfs/dbraw/zinc/69/63/76/360696376.db2.gz MJULZBCBVSBKDB-VIFPVBQESA-N 2 2 256.350 0.056 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595898847 360696378 /nfs/dbraw/zinc/69/63/78/360696378.db2.gz MJULZBCBVSBKDB-VIFPVBQESA-N 2 2 256.350 0.056 20 30 CCEDLP C[C@H](C#N)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596549372 360918889 /nfs/dbraw/zinc/91/88/89/360918889.db2.gz HIRPTTNBJKXWHU-GFCCVEGCSA-N 2 2 269.393 0.329 20 30 CCEDLP C[C@H](C#N)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596549372 360918893 /nfs/dbraw/zinc/91/88/93/360918893.db2.gz HIRPTTNBJKXWHU-GFCCVEGCSA-N 2 2 269.393 0.329 20 30 CCEDLP C=CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232210 262188396 /nfs/dbraw/zinc/18/83/96/262188396.db2.gz WPGGIHLXVTUXBO-GFCCVEGCSA-N 2 2 266.389 0.640 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072860191 388972306 /nfs/dbraw/zinc/97/23/06/388972306.db2.gz PXPAHISDLOWFOB-LBPRGKRZSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072860191 388972309 /nfs/dbraw/zinc/97/23/09/388972309.db2.gz PXPAHISDLOWFOB-LBPRGKRZSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072860191 388972310 /nfs/dbraw/zinc/97/23/10/388972310.db2.gz PXPAHISDLOWFOB-LBPRGKRZSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072860191 388972313 /nfs/dbraw/zinc/97/23/13/388972313.db2.gz PXPAHISDLOWFOB-LBPRGKRZSA-N 2 2 282.388 0.272 20 30 CCEDLP C=CCOCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000339005196 389121868 /nfs/dbraw/zinc/12/18/68/389121868.db2.gz HZEDFGXMHIWJLU-CQSZACIVSA-N 2 2 254.374 0.843 20 30 CCEDLP C=CCOCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000339005196 389121870 /nfs/dbraw/zinc/12/18/70/389121870.db2.gz HZEDFGXMHIWJLU-CQSZACIVSA-N 2 2 254.374 0.843 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(C#N)CCC3)C2)CC1 ZINC000361153993 389209793 /nfs/dbraw/zinc/20/97/93/389209793.db2.gz NBJVBBVPRILGCQ-ZDUSSCGKSA-N 2 2 290.411 0.965 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(C#N)CCC3)C2)CC1 ZINC000361153993 389209795 /nfs/dbraw/zinc/20/97/95/389209795.db2.gz NBJVBBVPRILGCQ-ZDUSSCGKSA-N 2 2 290.411 0.965 20 30 CCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCC#N)CC1 ZINC000345663137 389312215 /nfs/dbraw/zinc/31/22/15/389312215.db2.gz IITMZDNNVNEQPF-UHFFFAOYSA-N 2 2 281.404 0.615 20 30 CCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156326393 389325388 /nfs/dbraw/zinc/32/53/88/389325388.db2.gz OKJJHSBDPPOYEV-ZDUSSCGKSA-N 2 2 261.325 0.837 20 30 CCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156326393 389325390 /nfs/dbraw/zinc/32/53/90/389325390.db2.gz OKJJHSBDPPOYEV-ZDUSSCGKSA-N 2 2 261.325 0.837 20 30 CCEDLP CNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000263995114 389303247 /nfs/dbraw/zinc/30/32/47/389303247.db2.gz XFIFKBXXIZRQTB-ZDUSSCGKSA-N 2 2 262.357 0.422 20 30 CCEDLP CNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000263995114 389303249 /nfs/dbraw/zinc/30/32/49/389303249.db2.gz XFIFKBXXIZRQTB-ZDUSSCGKSA-N 2 2 262.357 0.422 20 30 CCEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccccc1 ZINC000264054354 389304167 /nfs/dbraw/zinc/30/41/67/389304167.db2.gz AFBHDBWMAXGBCC-CYBMUJFWSA-N 2 2 278.356 0.106 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373108700 389464219 /nfs/dbraw/zinc/46/42/19/389464219.db2.gz DICSWGHBZALFFX-QWHCGFSZSA-N 2 2 274.368 0.737 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373108700 389464223 /nfs/dbraw/zinc/46/42/23/389464223.db2.gz DICSWGHBZALFFX-QWHCGFSZSA-N 2 2 274.368 0.737 20 30 CCEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)N1CCOCC1 ZINC000170905233 389467486 /nfs/dbraw/zinc/46/74/86/389467486.db2.gz WEQUOECGHIRNNQ-UHFFFAOYSA-N 2 2 263.345 0.531 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000334992685 389518398 /nfs/dbraw/zinc/51/83/98/389518398.db2.gz JHCIJYQTJGAXQY-DZGCQCFKSA-N 2 2 263.385 0.849 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000334992685 389518403 /nfs/dbraw/zinc/51/84/03/389518403.db2.gz JHCIJYQTJGAXQY-DZGCQCFKSA-N 2 2 263.385 0.849 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374214035 389558644 /nfs/dbraw/zinc/55/86/44/389558644.db2.gz WMWVYEQANCDYQF-UHFFFAOYSA-N 2 2 291.355 0.601 20 30 CCEDLP C[C@@H](CC#N)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429672401 389764011 /nfs/dbraw/zinc/76/40/11/389764011.db2.gz RGXAKQSMWGZRQA-LBPRGKRZSA-N 2 2 252.362 0.384 20 30 CCEDLP C[C@@H](CC#N)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429672401 389764014 /nfs/dbraw/zinc/76/40/14/389764014.db2.gz RGXAKQSMWGZRQA-LBPRGKRZSA-N 2 2 252.362 0.384 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C)[C@H]2C[NH3+])C1=O ZINC000420290646 389978798 /nfs/dbraw/zinc/97/87/98/389978798.db2.gz MHIAAXNHOLFWSC-RWMBFGLXSA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])C1=O ZINC000420290646 389978799 /nfs/dbraw/zinc/97/87/99/389978799.db2.gz MHIAAXNHOLFWSC-RWMBFGLXSA-N 2 2 251.374 0.833 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420382768 389995340 /nfs/dbraw/zinc/99/53/40/389995340.db2.gz DDQBNCZBSUUEJW-STQMWFEESA-N 2 2 294.399 0.462 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420382768 389995342 /nfs/dbraw/zinc/99/53/42/389995342.db2.gz DDQBNCZBSUUEJW-STQMWFEESA-N 2 2 294.399 0.462 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)=C[C@@H](C)C2)CC1 ZINC000491524685 390114435 /nfs/dbraw/zinc/11/44/35/390114435.db2.gz NJVYOWNCVXTMAE-CQSZACIVSA-N 2 2 275.396 0.662 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)=C[C@@H](C)C2)CC1 ZINC000491524685 390114436 /nfs/dbraw/zinc/11/44/36/390114436.db2.gz NJVYOWNCVXTMAE-CQSZACIVSA-N 2 2 275.396 0.662 20 30 CCEDLP C=CCN1CC[C@H]([N@H+](C2CC2)C2CC[NH2+]CC2)C1=O ZINC000647815047 390179508 /nfs/dbraw/zinc/17/95/08/390179508.db2.gz MUXBMPPCHVIPCZ-AWEZNQCLSA-N 2 2 263.385 0.990 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+](C2CC2)C2CC[NH2+]CC2)C1=O ZINC000647815047 390179512 /nfs/dbraw/zinc/17/95/12/390179512.db2.gz MUXBMPPCHVIPCZ-AWEZNQCLSA-N 2 2 263.385 0.990 20 30 CCEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000555598559 390460367 /nfs/dbraw/zinc/46/03/67/390460367.db2.gz XNJKLSBRUNPWDE-HNNXBMFYSA-N 2 2 290.411 0.967 20 30 CCEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000555598559 390460370 /nfs/dbraw/zinc/46/03/70/390460370.db2.gz XNJKLSBRUNPWDE-HNNXBMFYSA-N 2 2 290.411 0.967 20 30 CCEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000555598559 390460373 /nfs/dbraw/zinc/46/03/73/390460373.db2.gz XNJKLSBRUNPWDE-HNNXBMFYSA-N 2 2 290.411 0.967 20 30 CCEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)C1 ZINC000555598559 390460376 /nfs/dbraw/zinc/46/03/76/390460376.db2.gz XNJKLSBRUNPWDE-HNNXBMFYSA-N 2 2 290.411 0.967 20 30 CCEDLP C[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000556229106 390477232 /nfs/dbraw/zinc/47/72/32/390477232.db2.gz VAWMKKRRAFXGJW-UHFFFAOYSA-N 2 2 270.340 0.785 20 30 CCEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000565711346 390537717 /nfs/dbraw/zinc/53/77/17/390537717.db2.gz VJOFUZRXODSVOQ-STQMWFEESA-N 2 2 265.361 0.068 20 30 CCEDLP C=CCC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567876657 390711624 /nfs/dbraw/zinc/71/16/24/390711624.db2.gz WFOPMMLVMGTDPD-LXTVHRRPSA-N 2 2 286.416 0.373 20 30 CCEDLP C=CCC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567876657 390711627 /nfs/dbraw/zinc/71/16/27/390711627.db2.gz WFOPMMLVMGTDPD-LXTVHRRPSA-N 2 2 286.416 0.373 20 30 CCEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC#CCO)c2cc1C ZINC000568761746 390714965 /nfs/dbraw/zinc/71/49/65/390714965.db2.gz GZVRAFGUEVSDEV-CQSZACIVSA-N 2 2 287.363 0.599 20 30 CCEDLP C=CCSCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572943710 390812321 /nfs/dbraw/zinc/81/23/21/390812321.db2.gz QOJSTFWKKFZUFN-NSHDSACASA-N 2 2 272.418 0.190 20 30 CCEDLP C=CCSCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572943710 390812323 /nfs/dbraw/zinc/81/23/23/390812323.db2.gz QOJSTFWKKFZUFN-NSHDSACASA-N 2 2 272.418 0.190 20 30 CCEDLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000578641116 390895850 /nfs/dbraw/zinc/89/58/50/390895850.db2.gz LZBBRDZRYIKDFK-QMIVOQANSA-N 2 2 281.400 0.738 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSCC#N)C2)CC1 ZINC000363338399 260074112 /nfs/dbraw/zinc/07/41/12/260074112.db2.gz FDXZQMBCBWFZSU-LBPRGKRZSA-N 2 2 296.440 0.528 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSCC#N)C2)CC1 ZINC000363338399 260074113 /nfs/dbraw/zinc/07/41/13/260074113.db2.gz FDXZQMBCBWFZSU-LBPRGKRZSA-N 2 2 296.440 0.528 20 30 CCEDLP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1C[N@H+](C)CCO1 ZINC000156460021 261123894 /nfs/dbraw/zinc/12/38/94/261123894.db2.gz NOAXCVBLQMUMPA-GFCCVEGCSA-N 2 2 295.387 0.287 20 30 CCEDLP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000156460021 261123897 /nfs/dbraw/zinc/12/38/97/261123897.db2.gz NOAXCVBLQMUMPA-GFCCVEGCSA-N 2 2 295.387 0.287 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000490656864 261178451 /nfs/dbraw/zinc/17/84/51/261178451.db2.gz NKCQTJLGPDYMGJ-UHFFFAOYSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H](C)C2)CC1 ZINC000491020175 261297538 /nfs/dbraw/zinc/29/75/38/261297538.db2.gz FIKNVXABRDJFOW-OAHLLOKOSA-N 2 2 277.412 0.886 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H](C)C2)CC1 ZINC000491020175 261297539 /nfs/dbraw/zinc/29/75/39/261297539.db2.gz FIKNVXABRDJFOW-OAHLLOKOSA-N 2 2 277.412 0.886 20 30 CCEDLP C=CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232210 262188394 /nfs/dbraw/zinc/18/83/94/262188394.db2.gz WPGGIHLXVTUXBO-GFCCVEGCSA-N 2 2 266.389 0.640 20 30 CCEDLP Cn1nncc1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000289482510 263110509 /nfs/dbraw/zinc/11/05/09/263110509.db2.gz YEJHDKQEZSBWQH-UHFFFAOYSA-N 2 2 288.355 0.714 20 30 CCEDLP C#CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369374576 267239476 /nfs/dbraw/zinc/23/94/76/267239476.db2.gz SWXALDOTUKHXCJ-ZDUSSCGKSA-N 2 2 278.400 0.477 20 30 CCEDLP C#CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369374576 267239477 /nfs/dbraw/zinc/23/94/77/267239477.db2.gz SWXALDOTUKHXCJ-ZDUSSCGKSA-N 2 2 278.400 0.477 20 30 CCEDLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000530231151 267336265 /nfs/dbraw/zinc/33/62/65/267336265.db2.gz NCYMODIVTNLIQX-CABCVRRESA-N 2 2 289.379 0.982 20 30 CCEDLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000530231151 267336270 /nfs/dbraw/zinc/33/62/70/267336270.db2.gz NCYMODIVTNLIQX-CABCVRRESA-N 2 2 289.379 0.982 20 30 CCEDLP CC(C)(C)NC(=[NH2+])NCC[N@@H+]1CCOCC1(C)C ZINC000170914923 329072263 /nfs/dbraw/zinc/07/22/63/329072263.db2.gz NBPBIEMLZMCVQS-UHFFFAOYSA-N 2 2 256.394 0.800 20 30 CCEDLP CC(C)(C)NC(=[NH2+])NCC[N@H+]1CCOCC1(C)C ZINC000170914923 329072264 /nfs/dbraw/zinc/07/22/64/329072264.db2.gz NBPBIEMLZMCVQS-UHFFFAOYSA-N 2 2 256.394 0.800 20 30 CCEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC([NH2+]C)CC1 ZINC000261567912 327146418 /nfs/dbraw/zinc/14/64/18/327146418.db2.gz IVPIPASWDRTDBV-UHFFFAOYSA-N 2 2 251.374 0.871 20 30 CCEDLP C[C@H](CC(=O)N[C@@](C)(C#N)C[NH+](C)C)n1cc[nH+]c1 ZINC000566308504 327298022 /nfs/dbraw/zinc/29/80/22/327298022.db2.gz HQQGPHGOYRTPGX-YPMHNXCESA-N 2 2 263.345 0.794 20 30 CCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000377744716 329027737 /nfs/dbraw/zinc/02/77/37/329027737.db2.gz LUKLUMOKNLTYGX-AWEZNQCLSA-N 2 2 286.379 0.928 20 30 CCEDLP CC1(C)COCC[N@@H+]1CCNC(=[NH2+])N1CCSCC1 ZINC000170914955 329072405 /nfs/dbraw/zinc/07/24/05/329072405.db2.gz NQIWLASMXIXFEX-UHFFFAOYSA-N 2 2 286.445 0.461 20 30 CCEDLP CC1(C)COCC[N@H+]1CCNC(=[NH2+])N1CCSCC1 ZINC000170914955 329072407 /nfs/dbraw/zinc/07/24/07/329072407.db2.gz NQIWLASMXIXFEX-UHFFFAOYSA-N 2 2 286.445 0.461 20 30 CCEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](C#N)CCC#N ZINC000182959796 329246033 /nfs/dbraw/zinc/24/60/33/329246033.db2.gz CCIJNZVFFBPNTL-HNNXBMFYSA-N 2 2 277.416 0.999 20 30 CCEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])NC[C@H]2CCCO2)n1C ZINC000262620988 330023159 /nfs/dbraw/zinc/02/31/59/330023159.db2.gz COQRPXXXCQGFQL-LLVKDONJSA-N 2 2 280.376 0.069 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)C[C@H]2CC)CC1 ZINC000490740315 332110903 /nfs/dbraw/zinc/11/09/03/332110903.db2.gz JVTFJYPKQWPCRR-LSDHHAIUSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@H]2CC)CC1 ZINC000490740315 332110904 /nfs/dbraw/zinc/11/09/04/332110904.db2.gz JVTFJYPKQWPCRR-LSDHHAIUSA-N 2 2 277.412 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H]2C)CC1 ZINC000490760288 332112501 /nfs/dbraw/zinc/11/25/01/332112501.db2.gz KOLHKUKOZWVDIM-CYBMUJFWSA-N 2 2 281.425 0.201 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C)CC1 ZINC000490760288 332112502 /nfs/dbraw/zinc/11/25/02/332112502.db2.gz KOLHKUKOZWVDIM-CYBMUJFWSA-N 2 2 281.425 0.201 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@@H](C)[C@@H]2C)CC1 ZINC000490760464 332112970 /nfs/dbraw/zinc/11/29/70/332112970.db2.gz LVIUOUBJLACKQG-KBPBESRZSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@@H](C)[C@@H]2C)CC1 ZINC000490760464 332112971 /nfs/dbraw/zinc/11/29/71/332112971.db2.gz LVIUOUBJLACKQG-KBPBESRZSA-N 2 2 295.452 0.590 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@@H](CC)C2)CC1 ZINC000491632878 332254792 /nfs/dbraw/zinc/25/47/92/332254792.db2.gz RNDXYRBBSPXUCA-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@@H](CC)C2)CC1 ZINC000491632878 332254793 /nfs/dbraw/zinc/25/47/93/332254793.db2.gz RNDXYRBBSPXUCA-HNNXBMFYSA-N 2 2 293.411 0.265 20 30 CCEDLP C#C[C@@H](C)[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000491651821 332264974 /nfs/dbraw/zinc/26/49/74/332264974.db2.gz JHMGXTAKKDPVDX-VXGBXAGGSA-N 2 2 260.341 0.647 20 30 CCEDLP C#C[C@@H](C)[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000491651821 332264976 /nfs/dbraw/zinc/26/49/76/332264976.db2.gz JHMGXTAKKDPVDX-VXGBXAGGSA-N 2 2 260.341 0.647 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC)C(C)C)CC1 ZINC000491672361 332279193 /nfs/dbraw/zinc/27/91/93/332279193.db2.gz YJQFWQIJMCUHEL-UHFFFAOYSA-N 2 2 265.401 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC)C(C)C)CC1 ZINC000491672361 332279195 /nfs/dbraw/zinc/27/91/95/332279195.db2.gz YJQFWQIJMCUHEL-UHFFFAOYSA-N 2 2 265.401 0.884 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000491734863 332315237 /nfs/dbraw/zinc/31/52/37/332315237.db2.gz JHUCSOTXPVLAQF-KGLIPLIRSA-N 2 2 263.385 0.542 20 30 CCEDLP C#CCNC(=O)CC[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000491743583 332321909 /nfs/dbraw/zinc/32/19/09/332321909.db2.gz XSPVKBANSOVHPE-ZDUSSCGKSA-N 2 2 253.390 0.692 20 30 CCEDLP N#C[C@@H]1CC[C@H]([NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000549405434 334192647 /nfs/dbraw/zinc/19/26/47/334192647.db2.gz PYUDPEGGESZSOL-CABCVRRESA-N 2 2 290.411 0.919 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568346942 334817475 /nfs/dbraw/zinc/81/74/75/334817475.db2.gz KFEZVOLEFDFSSW-LLVKDONJSA-N 2 2 263.345 0.222 20 30 CCEDLP [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]CC[NH+]1CCOCC1 ZINC000330173196 534752942 /nfs/dbraw/zinc/75/29/42/534752942.db2.gz HDDJBJXXRQUCFV-GFCCVEGCSA-N 2 2 293.371 0.034 20 30 CCEDLP C=C[C@@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000669253090 545203528 /nfs/dbraw/zinc/20/35/28/545203528.db2.gz VJHKZDLRSKQTRQ-CQSZACIVSA-N 2 2 295.427 0.600 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000791351382 581216520 /nfs/dbraw/zinc/21/65/20/581216520.db2.gz FFMALIJJQXHQHN-STQMWFEESA-N 2 2 269.389 0.330 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000730105429 581646414 /nfs/dbraw/zinc/64/64/14/581646414.db2.gz IMDOLUTYRBAUGE-CABCVRRESA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000730105429 581646417 /nfs/dbraw/zinc/64/64/17/581646417.db2.gz IMDOLUTYRBAUGE-CABCVRRESA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000730105429 581646420 /nfs/dbraw/zinc/64/64/20/581646420.db2.gz IMDOLUTYRBAUGE-CABCVRRESA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000730105429 581646424 /nfs/dbraw/zinc/64/64/24/581646424.db2.gz IMDOLUTYRBAUGE-CABCVRRESA-N 2 2 277.412 0.932 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000769143490 581674618 /nfs/dbraw/zinc/67/46/18/581674618.db2.gz BCZRKEPDGUALFH-MJBXVCDLSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000769143490 581674619 /nfs/dbraw/zinc/67/46/19/581674619.db2.gz BCZRKEPDGUALFH-MJBXVCDLSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)[NH+](C)C[C@H]1C ZINC000769143490 581674620 /nfs/dbraw/zinc/67/46/20/581674620.db2.gz BCZRKEPDGUALFH-MJBXVCDLSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)[NH+](C)C[C@H]1C ZINC000769143490 581674621 /nfs/dbraw/zinc/67/46/21/581674621.db2.gz BCZRKEPDGUALFH-MJBXVCDLSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C(C)(C)C ZINC000932462444 613108123 /nfs/dbraw/zinc/10/81/23/613108123.db2.gz ZGISDMIGCAMXEK-ZDUSSCGKSA-N 2 2 256.390 0.659 20 30 CCEDLP C#CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C(C)(C)C ZINC000932462444 613108124 /nfs/dbraw/zinc/10/81/24/613108124.db2.gz ZGISDMIGCAMXEK-ZDUSSCGKSA-N 2 2 256.390 0.659 20 30 CCEDLP C#CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C(C)(C)C ZINC000932462444 613108126 /nfs/dbraw/zinc/10/81/26/613108126.db2.gz ZGISDMIGCAMXEK-ZDUSSCGKSA-N 2 2 256.390 0.659 20 30 CCEDLP C#CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C(C)(C)C ZINC000932462444 613108127 /nfs/dbraw/zinc/10/81/27/613108127.db2.gz ZGISDMIGCAMXEK-ZDUSSCGKSA-N 2 2 256.390 0.659 20 30 CCEDLP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000981485501 612958703 /nfs/dbraw/zinc/95/87/03/612958703.db2.gz JRPFHQTYPZMBOQ-OLZOCXBDSA-N 2 2 274.368 0.911 20 30 CCEDLP C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000852098849 613113199 /nfs/dbraw/zinc/11/31/99/613113199.db2.gz XQIYZYFWCBZNAW-HIFRSBDPSA-N 2 2 265.401 0.931 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969125139 612963533 /nfs/dbraw/zinc/96/35/33/612963533.db2.gz SJTUOUHUJBJKSM-QWHCGFSZSA-N 2 2 272.352 0.269 20 30 CCEDLP C#CCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252586 612998736 /nfs/dbraw/zinc/99/87/36/612998736.db2.gz NRPIIYHHCNOPDA-UHFFFAOYSA-N 2 2 263.385 0.816 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969983245 613118230 /nfs/dbraw/zinc/11/82/30/613118230.db2.gz YPAFHNVLHMKSAC-OLZOCXBDSA-N 2 2 286.379 0.515 20 30 CCEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981817925 613155625 /nfs/dbraw/zinc/15/56/25/613155625.db2.gz NZAZBPMPXYZNMM-OAHLLOKOSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981817925 613155626 /nfs/dbraw/zinc/15/56/26/613155626.db2.gz NZAZBPMPXYZNMM-OAHLLOKOSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981817925 613155627 /nfs/dbraw/zinc/15/56/27/613155627.db2.gz NZAZBPMPXYZNMM-OAHLLOKOSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981817925 613155628 /nfs/dbraw/zinc/15/56/28/613155628.db2.gz NZAZBPMPXYZNMM-OAHLLOKOSA-N 2 2 293.411 0.263 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905463145 613175509 /nfs/dbraw/zinc/17/55/09/613175509.db2.gz XRSIXPZFYKZWMX-HUUCEWRRSA-N 2 2 265.401 0.130 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905463145 613175510 /nfs/dbraw/zinc/17/55/10/613175510.db2.gz XRSIXPZFYKZWMX-HUUCEWRRSA-N 2 2 265.401 0.130 20 30 CCEDLP C#Cc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000809610851 613194357 /nfs/dbraw/zinc/19/43/57/613194357.db2.gz HKIBXDUTMPCPNT-UHFFFAOYSA-N 2 2 271.364 0.532 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874841017 613197327 /nfs/dbraw/zinc/19/73/27/613197327.db2.gz SQHPALQVZALXNI-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874841017 613197330 /nfs/dbraw/zinc/19/73/30/613197330.db2.gz SQHPALQVZALXNI-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000874841017 613197331 /nfs/dbraw/zinc/19/73/31/613197331.db2.gz SQHPALQVZALXNI-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000874841017 613197333 /nfs/dbraw/zinc/19/73/33/613197333.db2.gz SQHPALQVZALXNI-ZNMIVQPWSA-N 2 2 275.396 0.779 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968591745 613214294 /nfs/dbraw/zinc/21/42/94/613214294.db2.gz FDKXBBFXFLBOJD-RISCZKNCSA-N 2 2 274.368 0.720 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968591745 613214295 /nfs/dbraw/zinc/21/42/95/613214295.db2.gz FDKXBBFXFLBOJD-RISCZKNCSA-N 2 2 274.368 0.720 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000974733276 613281864 /nfs/dbraw/zinc/28/18/64/613281864.db2.gz SLALYJPPQKYJDD-UONOGXRCSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000974733276 613281866 /nfs/dbraw/zinc/28/18/66/613281866.db2.gz SLALYJPPQKYJDD-UONOGXRCSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733276 613281868 /nfs/dbraw/zinc/28/18/68/613281868.db2.gz SLALYJPPQKYJDD-UONOGXRCSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000974733276 613281869 /nfs/dbraw/zinc/28/18/69/613281869.db2.gz SLALYJPPQKYJDD-UONOGXRCSA-N 2 2 277.412 0.931 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978712152 613309262 /nfs/dbraw/zinc/30/92/62/613309262.db2.gz OFWXXWQGRAJMNJ-XDQVBPFNSA-N 2 2 298.390 0.757 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC000978712152 613309263 /nfs/dbraw/zinc/30/92/63/613309263.db2.gz OFWXXWQGRAJMNJ-XDQVBPFNSA-N 2 2 298.390 0.757 20 30 CCEDLP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980893190 613310279 /nfs/dbraw/zinc/31/02/79/613310279.db2.gz HZCMLYRKBJQALA-AWEZNQCLSA-N 2 2 281.400 0.427 20 30 CCEDLP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893190 613310281 /nfs/dbraw/zinc/31/02/81/613310281.db2.gz HZCMLYRKBJQALA-AWEZNQCLSA-N 2 2 281.400 0.427 20 30 CCEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893190 613310283 /nfs/dbraw/zinc/31/02/83/613310283.db2.gz HZCMLYRKBJQALA-AWEZNQCLSA-N 2 2 281.400 0.427 20 30 CCEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893190 613310284 /nfs/dbraw/zinc/31/02/84/613310284.db2.gz HZCMLYRKBJQALA-AWEZNQCLSA-N 2 2 281.400 0.427 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000913809598 613364764 /nfs/dbraw/zinc/36/47/64/613364764.db2.gz RTAOKPUEPWEKJO-AWEZNQCLSA-N 2 2 283.416 0.721 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000913809598 613364765 /nfs/dbraw/zinc/36/47/65/613364765.db2.gz RTAOKPUEPWEKJO-AWEZNQCLSA-N 2 2 283.416 0.721 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000907525196 613365396 /nfs/dbraw/zinc/36/53/96/613365396.db2.gz HIDNZGGUQWQJIW-GFCCVEGCSA-N 2 2 262.357 0.822 20 30 CCEDLP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC000913463788 613366098 /nfs/dbraw/zinc/36/60/98/613366098.db2.gz WNNJTOQTSZYFEF-ZDUSSCGKSA-N 2 2 277.372 0.011 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000876961742 613390005 /nfs/dbraw/zinc/39/00/05/613390005.db2.gz WNLOYYVWOHPSCQ-SRVKXCTJSA-N 2 2 289.807 0.682 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000876961742 613390006 /nfs/dbraw/zinc/39/00/06/613390006.db2.gz WNLOYYVWOHPSCQ-SRVKXCTJSA-N 2 2 289.807 0.682 20 30 CCEDLP C=CCS(=O)(=O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925634575 613886035 /nfs/dbraw/zinc/88/60/35/613886035.db2.gz KRIMJWAMSUNBHC-FRRDWIJNSA-N 2 2 286.441 0.953 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)c1cccc2[nH+]ccn21 ZINC000913519534 615861180 /nfs/dbraw/zinc/86/11/80/615861180.db2.gz DLDXAOUKXXZZQK-UHFFFAOYSA-N 2 2 256.309 0.629 20 30 CCEDLP C[NH+]1CCN(N=C2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000872325482 616246274 /nfs/dbraw/zinc/24/62/74/616246274.db2.gz SSYTWXMPUPQTLG-ZDUSSCGKSA-N 2 2 268.430 0.801 20 30 CCEDLP C[NH+]1CCN(N=C2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000872325482 616246275 /nfs/dbraw/zinc/24/62/75/616246275.db2.gz SSYTWXMPUPQTLG-ZDUSSCGKSA-N 2 2 268.430 0.801 20 30 CCEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCC(F)F)cn2)CC1 ZINC000755740629 616247780 /nfs/dbraw/zinc/24/77/80/616247780.db2.gz UJOBMRJJDJPABI-UHFFFAOYSA-N 2 2 284.314 0.417 20 30 CCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@@H+]2C)c1C#N ZINC000895597583 616948986 /nfs/dbraw/zinc/94/89/86/616948986.db2.gz JGNKKWKCFIPRQP-GFCCVEGCSA-N 2 2 290.371 0.466 20 30 CCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2C)c1C#N ZINC000895597583 616948990 /nfs/dbraw/zinc/94/89/90/616948990.db2.gz JGNKKWKCFIPRQP-GFCCVEGCSA-N 2 2 290.371 0.466 20 30 CCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001026432535 625448677 /nfs/dbraw/zinc/44/86/77/625448677.db2.gz URNJHJACXHAISU-MELADBBJSA-N 2 2 272.352 0.343 20 30 CCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001022966271 622871901 /nfs/dbraw/zinc/87/19/01/622871901.db2.gz LHXZIQPOFNWVNE-BETUJISGSA-N 2 2 295.346 0.751 20 30 CCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001019061262 623792111 /nfs/dbraw/zinc/79/21/11/623792111.db2.gz WNVIGURNBWLFMK-STQMWFEESA-N 2 2 274.368 0.822 20 30 CCEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009206111 625777997 /nfs/dbraw/zinc/77/79/97/625777997.db2.gz DMNCYZYQJRBGLX-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009206111 625778004 /nfs/dbraw/zinc/77/80/04/625778004.db2.gz DMNCYZYQJRBGLX-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010425042 631437264 /nfs/dbraw/zinc/43/72/64/631437264.db2.gz ABWGIFSQHRXLAY-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010425042 631437268 /nfs/dbraw/zinc/43/72/68/631437268.db2.gz ABWGIFSQHRXLAY-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010425042 631437272 /nfs/dbraw/zinc/43/72/72/631437272.db2.gz ABWGIFSQHRXLAY-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010425042 631437276 /nfs/dbraw/zinc/43/72/76/631437276.db2.gz ABWGIFSQHRXLAY-OLZOCXBDSA-N 2 2 267.373 0.084 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000841119840 631590438 /nfs/dbraw/zinc/59/04/38/631590438.db2.gz COWRSHRVNWVREC-MWLCHTKSSA-N 2 2 270.296 0.567 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000989257045 633178557 /nfs/dbraw/zinc/17/85/57/633178557.db2.gz BEDULXAZJCEZEA-QWHCGFSZSA-N 2 2 260.341 0.485 20 30 CCEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009526375 650146845 /nfs/dbraw/zinc/14/68/45/650146845.db2.gz YFENOTFHQLKRIY-AWEZNQCLSA-N 2 2 274.368 0.795 20 30 CCEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001009526375 650146850 /nfs/dbraw/zinc/14/68/50/650146850.db2.gz YFENOTFHQLKRIY-AWEZNQCLSA-N 2 2 274.368 0.795 20 30 CCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC000996562484 638822295 /nfs/dbraw/zinc/82/22/95/638822295.db2.gz KYXKYLAHCDTMLR-ZDUSSCGKSA-N 2 2 274.368 0.720 20 30 CCEDLP C#CC[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000999745707 638996232 /nfs/dbraw/zinc/99/62/32/638996232.db2.gz AWCPBJVKWHBZBM-UHFFFAOYSA-N 2 2 260.341 0.473 20 30 CCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014989600 650512293 /nfs/dbraw/zinc/51/22/93/650512293.db2.gz IPGAFKCNFJMDCC-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014989600 650512298 /nfs/dbraw/zinc/51/22/98/650512298.db2.gz IPGAFKCNFJMDCC-KGLIPLIRSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001014999326 650513121 /nfs/dbraw/zinc/51/31/21/650513121.db2.gz IADBWIRBWVHSCW-CHWSQXEVSA-N 2 2 272.352 0.269 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001014999326 650513124 /nfs/dbraw/zinc/51/31/24/650513124.db2.gz IADBWIRBWVHSCW-CHWSQXEVSA-N 2 2 272.352 0.269 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017638326 650815277 /nfs/dbraw/zinc/81/52/77/650815277.db2.gz VGRZWJMRUMCUEG-ZNMIVQPWSA-N 2 2 277.412 0.881 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001017638326 650815281 /nfs/dbraw/zinc/81/52/81/650815281.db2.gz VGRZWJMRUMCUEG-ZNMIVQPWSA-N 2 2 277.412 0.881 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000844195064 643178261 /nfs/dbraw/zinc/17/82/61/643178261.db2.gz PPDQQAVRXXVZKB-VHDGCEQUSA-N 2 2 299.378 0.274 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000844195064 643178265 /nfs/dbraw/zinc/17/82/65/643178265.db2.gz PPDQQAVRXXVZKB-VHDGCEQUSA-N 2 2 299.378 0.274 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001018268472 650850970 /nfs/dbraw/zinc/85/09/70/650850970.db2.gz ZYBZRLRRJXMLJL-OKILXGFUSA-N 2 2 261.369 0.391 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001018268472 650850974 /nfs/dbraw/zinc/85/09/74/650850974.db2.gz ZYBZRLRRJXMLJL-OKILXGFUSA-N 2 2 261.369 0.391 20 30 CCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001020308844 651058143 /nfs/dbraw/zinc/05/81/43/651058143.db2.gz SASIHEJJOXUGRC-JHJVBQTASA-N 2 2 274.368 0.868 20 30 CCEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCCn1cc[nH+]c1 ZINC000876709016 646647504 /nfs/dbraw/zinc/64/75/04/646647504.db2.gz GYENBISPKUZBTQ-OAHLLOKOSA-N 2 2 295.346 0.758 20 30 CCEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC(F)(F)C[NH3+] ZINC000876808068 646672766 /nfs/dbraw/zinc/67/27/66/646672766.db2.gz DACOQATULFQXLK-LBPRGKRZSA-N 2 2 294.305 0.455 20 30 CCEDLP C#CC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006470936 649519520 /nfs/dbraw/zinc/51/95/20/649519520.db2.gz LGLVKDUGJBLKQU-UHFFFAOYSA-N 2 2 260.341 0.439 20 30 CCEDLP C=CCC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001245978706 807105689 /nfs/dbraw/zinc/10/56/89/807105689.db2.gz PFQZMLQIGAOGSI-NEPJUHHUSA-N 2 2 258.362 0.574 20 30 CCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266728081 791194159 /nfs/dbraw/zinc/19/41/59/791194159.db2.gz KWXNOBRKFNQGLJ-BETUJISGSA-N 2 2 290.367 0.147 20 30 CCEDLP CC#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001267015819 791450965 /nfs/dbraw/zinc/45/09/65/791450965.db2.gz TVKFNCOBRAWEIK-ZDUSSCGKSA-N 2 2 274.368 0.567 20 30 CCEDLP N#Cc1ccc(CC[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235053551 806354378 /nfs/dbraw/zinc/35/43/78/806354378.db2.gz UPSWBKKPVGBIAS-INIZCTEOSA-N 2 2 270.380 0.738 20 30 CCEDLP N#Cc1ccc(CC[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235053551 806354387 /nfs/dbraw/zinc/35/43/87/806354387.db2.gz UPSWBKKPVGBIAS-INIZCTEOSA-N 2 2 270.380 0.738 20 30 CCEDLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](CCCC#N)C[C@H](C1)O2 ZINC001277945109 806421637 /nfs/dbraw/zinc/42/16/37/806421637.db2.gz MSVJFXIHYYCAOK-OKILXGFUSA-N 2 2 266.389 0.237 20 30 CCEDLP C[NH+](C)CCN1C[C@@H]2C[N@H+](CCCC#N)C[C@H](C1)O2 ZINC001277945109 806421645 /nfs/dbraw/zinc/42/16/45/806421645.db2.gz MSVJFXIHYYCAOK-OKILXGFUSA-N 2 2 266.389 0.237 20 30 CCEDLP N#Cc1ccc(O)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235999356 806527241 /nfs/dbraw/zinc/52/72/41/806527241.db2.gz BDVVSOMPDWFQAT-NNQSOWQGSA-N 2 2 273.336 0.669 20 30 CCEDLP N#Cc1ccc(O)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235999356 806527250 /nfs/dbraw/zinc/52/72/50/806527250.db2.gz BDVVSOMPDWFQAT-NNQSOWQGSA-N 2 2 273.336 0.669 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215175 800028622 /nfs/dbraw/zinc/02/86/22/800028622.db2.gz MICLXPUQGHXQOO-CYBMUJFWSA-N 2 2 274.368 0.565 20 30 CCEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824170 800369784 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C=CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001164496117 802749573 /nfs/dbraw/zinc/74/95/73/802749573.db2.gz JTNOFVGYNTZSQF-HNNXBMFYSA-N 2 2 295.427 0.912 20 30 CCEDLP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001276468268 803086740 /nfs/dbraw/zinc/08/67/40/803086740.db2.gz IJBWVDKASCPPQH-GFCCVEGCSA-N 2 2 262.357 0.896 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919373 803309061 /nfs/dbraw/zinc/30/90/61/803309061.db2.gz RABWYLIFMDLWDK-CHWSQXEVSA-N 2 2 274.368 0.802 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919373 803309065 /nfs/dbraw/zinc/30/90/65/803309065.db2.gz RABWYLIFMDLWDK-CHWSQXEVSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970722 803320152 /nfs/dbraw/zinc/32/01/52/803320152.db2.gz DQJVROYLINJIPX-UHFFFAOYSA-N 2 2 274.368 0.735 20 30 CCEDLP CC#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001276711830 803743543 /nfs/dbraw/zinc/74/35/43/803743543.db2.gz 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613637881 /nfs/dbraw/zinc/63/78/81/613637881.db2.gz VRZAFMONUZXODS-ARLBYUKCSA-N 2 2 298.390 0.515 20 30 CCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972676915 613726732 /nfs/dbraw/zinc/72/67/32/613726732.db2.gz MDXSDKOFPNEXEI-GDBMZVCRSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972676915 613726734 /nfs/dbraw/zinc/72/67/34/613726734.db2.gz MDXSDKOFPNEXEI-GDBMZVCRSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972676915 613726736 /nfs/dbraw/zinc/72/67/36/613726736.db2.gz MDXSDKOFPNEXEI-GDBMZVCRSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972676915 613726738 /nfs/dbraw/zinc/72/67/38/613726738.db2.gz MDXSDKOFPNEXEI-GDBMZVCRSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CCN1CC[C@H]([N@@H+]2CC[NH2+]CCC23CCOCC3)C1=O ZINC000903818218 613778350 /nfs/dbraw/zinc/77/83/50/613778350.db2.gz BRFBPHFJSFILBL-AWEZNQCLSA-N 2 2 293.411 0.618 20 30 CCEDLP C=CCN1CC[C@H]([N@H+]2CC[NH2+]CCC23CCOCC3)C1=O ZINC000903818218 613778353 /nfs/dbraw/zinc/77/83/53/613778353.db2.gz BRFBPHFJSFILBL-AWEZNQCLSA-N 2 2 293.411 0.618 20 30 CCEDLP C=CCNC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591320 613845261 /nfs/dbraw/zinc/84/52/61/613845261.db2.gz MBNFIFNKBNNQFZ-UHFFFAOYSA-N 2 2 280.416 0.000 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743533 613853305 /nfs/dbraw/zinc/85/33/05/613853305.db2.gz CQPQOGIXXBLDFF-MBNYWOFBSA-N 2 2 251.374 0.561 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933743533 613853306 /nfs/dbraw/zinc/85/33/06/613853306.db2.gz CQPQOGIXXBLDFF-MBNYWOFBSA-N 2 2 251.374 0.561 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933743533 613853307 /nfs/dbraw/zinc/85/33/07/613853307.db2.gz CQPQOGIXXBLDFF-MBNYWOFBSA-N 2 2 251.374 0.561 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933743533 613853308 /nfs/dbraw/zinc/85/33/08/613853308.db2.gz CQPQOGIXXBLDFF-MBNYWOFBSA-N 2 2 251.374 0.561 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000884184808 613877831 /nfs/dbraw/zinc/87/78/31/613877831.db2.gz AEAJINQCECGBHJ-OLZOCXBDSA-N 2 2 297.399 0.376 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884192567 613878347 /nfs/dbraw/zinc/87/83/47/613878347.db2.gz IZOGYPGKDVXIKW-AAEUAGOBSA-N 2 2 295.383 0.034 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000884192567 613878348 /nfs/dbraw/zinc/87/83/48/613878348.db2.gz IZOGYPGKDVXIKW-AAEUAGOBSA-N 2 2 295.383 0.034 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884195572 613878498 /nfs/dbraw/zinc/87/84/98/613878498.db2.gz RGQBKUVADKDOIB-XQQFMLRXSA-N 2 2 295.383 0.176 20 30 CCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000884195572 613878499 /nfs/dbraw/zinc/87/84/99/613878499.db2.gz RGQBKUVADKDOIB-XQQFMLRXSA-N 2 2 295.383 0.176 20 30 CCEDLP C=CCONC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838708330 613884203 /nfs/dbraw/zinc/88/42/03/613884203.db2.gz RLXWVMBJAFVPIW-GFCCVEGCSA-N 2 2 282.388 0.572 20 30 CCEDLP C=CCONC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838708330 613884204 /nfs/dbraw/zinc/88/42/04/613884204.db2.gz RLXWVMBJAFVPIW-GFCCVEGCSA-N 2 2 282.388 0.572 20 30 CCEDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000852122831 614144002 /nfs/dbraw/zinc/14/40/02/614144002.db2.gz CHLFNLGDMCWYCI-AWEZNQCLSA-N 2 2 283.416 0.988 20 30 CCEDLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000877432704 615568834 /nfs/dbraw/zinc/56/88/34/615568834.db2.gz FRFSSXCSBDSAJD-CHWSQXEVSA-N 2 2 282.388 0.235 20 30 CCEDLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000877432704 615568835 /nfs/dbraw/zinc/56/88/35/615568835.db2.gz FRFSSXCSBDSAJD-CHWSQXEVSA-N 2 2 282.388 0.235 20 30 CCEDLP C[NH+](C)CC#CCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000913523990 615860023 /nfs/dbraw/zinc/86/00/23/615860023.db2.gz VBFNRSBSFFJLSS-UHFFFAOYSA-N 2 2 298.346 0.873 20 30 CCEDLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)C[C@@H]2C1 ZINC000931430755 616331896 /nfs/dbraw/zinc/33/18/96/616331896.db2.gz REFOCAGIDNLJEV-WWGRRREGSA-N 2 2 290.411 0.678 20 30 CCEDLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)C[C@@H]2C1 ZINC000931430755 616331901 /nfs/dbraw/zinc/33/19/01/616331901.db2.gz REFOCAGIDNLJEV-WWGRRREGSA-N 2 2 290.411 0.678 20 30 CCEDLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C[C@@H]2C1 ZINC000931430755 616331910 /nfs/dbraw/zinc/33/19/10/616331910.db2.gz REFOCAGIDNLJEV-WWGRRREGSA-N 2 2 290.411 0.678 20 30 CCEDLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C[C@@H]2C1 ZINC000931430755 616331914 /nfs/dbraw/zinc/33/19/14/616331914.db2.gz REFOCAGIDNLJEV-WWGRRREGSA-N 2 2 290.411 0.678 20 30 CCEDLP C#CC[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001026583218 625476282 /nfs/dbraw/zinc/47/62/82/625476282.db2.gz LNVGHLXPTJLELR-UHFFFAOYSA-N 2 2 260.341 0.602 20 30 CCEDLP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022774909 622742451 /nfs/dbraw/zinc/74/24/51/622742451.db2.gz DZZKTWJAUVSZDY-AOOOYVTPSA-N 2 2 268.748 0.942 20 30 CCEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989727885 633349860 /nfs/dbraw/zinc/34/98/60/633349860.db2.gz WUDVVBJNVJNLTH-ZYHUDNBSSA-N 2 2 260.341 0.473 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994207216 637875347 /nfs/dbraw/zinc/87/53/47/637875347.db2.gz JXDJUYMUVPTGCP-JSGCOSHPSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994207216 637875352 /nfs/dbraw/zinc/87/53/52/637875352.db2.gz JXDJUYMUVPTGCP-JSGCOSHPSA-N 2 2 274.368 0.565 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000999550311 638985284 /nfs/dbraw/zinc/98/52/84/638985284.db2.gz WDEYBATUDAROBA-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C=CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000999557783 638985534 /nfs/dbraw/zinc/98/55/34/638985534.db2.gz YRVXCVROOHGERR-UHFFFAOYSA-N 2 2 295.427 0.862 20 30 CCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000834500566 642588468 /nfs/dbraw/zinc/58/84/68/642588468.db2.gz URDOZKCCJXILJD-MFKMUULPSA-N 2 2 282.307 0.109 20 30 CCEDLP Cc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(N(C)C)[nH+]1 ZINC000841155207 642805258 /nfs/dbraw/zinc/80/52/58/642805258.db2.gz TZRNPTJAJOLUPH-CMPLNLGQSA-N 2 2 288.355 0.689 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001017950709 650836729 /nfs/dbraw/zinc/83/67/29/650836729.db2.gz UYHWRVWUZJURHZ-APIJFGDWSA-N 2 2 275.396 0.493 20 30 CCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001017950709 650836733 /nfs/dbraw/zinc/83/67/33/650836733.db2.gz UYHWRVWUZJURHZ-APIJFGDWSA-N 2 2 275.396 0.493 20 30 CCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001017950709 650836734 /nfs/dbraw/zinc/83/67/34/650836734.db2.gz UYHWRVWUZJURHZ-APIJFGDWSA-N 2 2 275.396 0.493 20 30 CCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001017950709 650836737 /nfs/dbraw/zinc/83/67/37/650836737.db2.gz UYHWRVWUZJURHZ-APIJFGDWSA-N 2 2 275.396 0.493 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001019069964 650935701 /nfs/dbraw/zinc/93/57/01/650935701.db2.gz RWVHUKOJMTVBEF-NSHDSACASA-N 2 2 276.340 0.174 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001019181478 650944646 /nfs/dbraw/zinc/94/46/46/650944646.db2.gz KVCAOYLLGVVRAX-LBPRGKRZSA-N 2 2 260.341 0.176 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001019655294 650996323 /nfs/dbraw/zinc/99/63/23/650996323.db2.gz MZGBEKRHBCJAHI-NSHDSACASA-N 2 2 260.341 0.511 20 30 CCEDLP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230347662 805595353 /nfs/dbraw/zinc/59/53/53/805595353.db2.gz GHJGSQGVWJLFHI-ZIAGYGMSSA-N 2 2 274.368 0.923 20 30 CCEDLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000402130972 790410424 /nfs/dbraw/zinc/41/04/24/790410424.db2.gz DXSXRABPBWQUSH-YPMHNXCESA-N 2 2 263.341 0.577 20 30 CCEDLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000402130972 790410429 /nfs/dbraw/zinc/41/04/29/790410429.db2.gz DXSXRABPBWQUSH-YPMHNXCESA-N 2 2 263.341 0.577 20 30 CCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206922357 790732315 /nfs/dbraw/zinc/73/23/15/790732315.db2.gz JYPSKYXEAZWSNP-CHWSQXEVSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206922357 790732322 /nfs/dbraw/zinc/73/23/22/790732322.db2.gz JYPSKYXEAZWSNP-CHWSQXEVSA-N 2 2 274.368 0.802 20 30 CCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266537277 790893181 /nfs/dbraw/zinc/89/31/81/790893181.db2.gz HTYAKYWDOZDCME-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266537277 790893194 /nfs/dbraw/zinc/89/31/94/790893194.db2.gz HTYAKYWDOZDCME-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266537277 790893209 /nfs/dbraw/zinc/89/32/09/790893209.db2.gz HTYAKYWDOZDCME-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266537277 790893222 /nfs/dbraw/zinc/89/32/22/790893222.db2.gz HTYAKYWDOZDCME-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP CN(C)/C=[NH+]/c1ccc(-n2cnc(C[NH3+])cc2=N)cc1C#N ZINC001167359593 790968350 /nfs/dbraw/zinc/96/83/50/790968350.db2.gz PVXJDIXVKBXFOY-VZJNHYAFSA-N 2 2 295.350 0.904 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231253976 805761378 /nfs/dbraw/zinc/76/13/78/805761378.db2.gz DDJVOFBRTFORIY-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001231253976 805761385 /nfs/dbraw/zinc/76/13/85/805761385.db2.gz DDJVOFBRTFORIY-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001231253976 805761390 /nfs/dbraw/zinc/76/13/90/805761390.db2.gz DDJVOFBRTFORIY-GJZGRUSLSA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001266989684 791425929 /nfs/dbraw/zinc/42/59/29/791425929.db2.gz IZVIGMGMZPKZBP-GFCCVEGCSA-N 2 2 262.357 0.470 20 30 CCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234640790 806291335 /nfs/dbraw/zinc/29/13/35/806291335.db2.gz BJUGGONFYJJDBK-UONOGXRCSA-N 2 2 283.391 0.832 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)C[NH+](CC)CC ZINC001234640790 806291343 /nfs/dbraw/zinc/29/13/43/806291343.db2.gz BJUGGONFYJJDBK-UONOGXRCSA-N 2 2 283.391 0.832 20 30 CCEDLP C=CCn1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235992610 806524249 /nfs/dbraw/zinc/52/42/49/806524249.db2.gz FAOLMGXXLZTUET-PBWFPOADSA-N 2 2 262.357 0.475 20 30 CCEDLP C=CCn1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235992610 806524252 /nfs/dbraw/zinc/52/42/52/806524252.db2.gz FAOLMGXXLZTUET-PBWFPOADSA-N 2 2 262.357 0.475 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149652379 800288384 /nfs/dbraw/zinc/28/83/84/800288384.db2.gz AHESTMVWLUQNDT-ZDUSSCGKSA-N 2 2 292.383 0.735 20 30 CCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149652379 800288390 /nfs/dbraw/zinc/28/83/90/800288390.db2.gz AHESTMVWLUQNDT-ZDUSSCGKSA-N 2 2 292.383 0.735 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150053656 800314527 /nfs/dbraw/zinc/31/45/27/800314527.db2.gz LJHIKNADXGDWJN-CQSZACIVSA-N 2 2 292.383 0.666 20 30 CCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150053656 800314533 /nfs/dbraw/zinc/31/45/33/800314533.db2.gz LJHIKNADXGDWJN-CQSZACIVSA-N 2 2 292.383 0.666 20 30 CCEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150506824 800342283 /nfs/dbraw/zinc/34/22/83/800342283.db2.gz APKGFVBCXGSSJU-CYBMUJFWSA-N 2 2 292.383 0.735 20 30 CCEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150506824 800342288 /nfs/dbraw/zinc/34/22/88/800342288.db2.gz APKGFVBCXGSSJU-CYBMUJFWSA-N 2 2 292.383 0.735 20 30 CCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507428 800343424 /nfs/dbraw/zinc/34/34/24/800343424.db2.gz FUIAFVPCBHUXSV-GFCCVEGCSA-N 2 2 278.356 0.345 20 30 CCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507428 800343431 /nfs/dbraw/zinc/34/34/31/800343431.db2.gz FUIAFVPCBHUXSV-GFCCVEGCSA-N 2 2 278.356 0.345 20 30 CCEDLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C#N)c1 ZINC001158203284 801591592 /nfs/dbraw/zinc/59/15/92/801591592.db2.gz HXPRHODTJNMBBJ-LLVKDONJSA-N 2 2 257.297 0.310 20 30 CCEDLP N#Cc1ncc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc1C#N ZINC001158266240 801610508 /nfs/dbraw/zinc/61/05/08/801610508.db2.gz BVWCFKXIGFKLMH-LLVKDONJSA-N 2 2 297.366 0.222 20 30 CCEDLP N#Cc1ncc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc1C#N ZINC001158266240 801610512 /nfs/dbraw/zinc/61/05/12/801610512.db2.gz BVWCFKXIGFKLMH-LLVKDONJSA-N 2 2 297.366 0.222 20 30 CCEDLP N#Cc1cnc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c(C#N)c1 ZINC001160511588 801955022 /nfs/dbraw/zinc/95/50/22/801955022.db2.gz PROMLHDAEAUSGV-OAHLLOKOSA-N 2 2 282.351 0.660 20 30 CCEDLP N#Cc1cc(F)cnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160511217 801955243 /nfs/dbraw/zinc/95/52/43/801955243.db2.gz MKEXURLLVRHQRZ-CQSZACIVSA-N 2 2 275.331 0.927 20 30 CCEDLP CCCCN(CC#N)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160732067 802011466 /nfs/dbraw/zinc/01/14/66/802011466.db2.gz ZVLFXWAXMOGSNZ-WZRBSPASSA-N 2 2 250.346 0.360 20 30 CCEDLP C#CCC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161309281 802123872 /nfs/dbraw/zinc/12/38/72/802123872.db2.gz KTOSUMXBIKBQBR-ZDUSSCGKSA-N 2 2 274.368 0.565 20 30 CCEDLP CC#CC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161323353 802126562 /nfs/dbraw/zinc/12/65/62/802126562.db2.gz IWWNNKJIPNASFO-ZDUSSCGKSA-N 2 2 274.368 0.565 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380710 809648358 /nfs/dbraw/zinc/64/83/58/809648358.db2.gz PPIBQJPTQLXRQO-CQSZACIVSA-N 2 2 263.385 0.638 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380710 809648363 /nfs/dbraw/zinc/64/83/63/809648363.db2.gz PPIBQJPTQLXRQO-CQSZACIVSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001164496155 802749356 /nfs/dbraw/zinc/74/93/56/802749356.db2.gz LAUBPMRZMBWTHQ-HNNXBMFYSA-N 2 2 293.411 0.359 20 30 CCEDLP C#CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001164496155 802749362 /nfs/dbraw/zinc/74/93/62/802749362.db2.gz LAUBPMRZMBWTHQ-HNNXBMFYSA-N 2 2 293.411 0.359 20 30 CCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216065891 803833499 /nfs/dbraw/zinc/83/34/99/803833499.db2.gz VNWZQWYGOQNJSK-VXGBXAGGSA-N 2 2 260.341 0.412 20 30 CCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216065703 803833729 /nfs/dbraw/zinc/83/37/29/803833729.db2.gz SODSUVKYTYNFFX-VXGBXAGGSA-N 2 2 260.341 0.412 20 30 CCEDLP CC(C)(C#N)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cn1 ZINC001218582039 804020324 /nfs/dbraw/zinc/02/03/24/804020324.db2.gz RVYNDFKCWNOWJX-JTQLQIEISA-N 2 2 261.329 0.497 20 30 CCEDLP C[C@@H](C#N)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001218870958 804141972 /nfs/dbraw/zinc/14/19/72/804141972.db2.gz DRLFRLVPHRCBRB-XDTLVQLUSA-N 2 2 258.325 0.799 20 30 CCEDLP Cc1cc(C#N)c(F)cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219112414 804205169 /nfs/dbraw/zinc/20/51/69/804205169.db2.gz GJXSDAWBKNVMSU-SKDRFNHKSA-N 2 2 262.288 0.634 20 30 CCEDLP CC#CC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228516083 805453372 /nfs/dbraw/zinc/45/33/72/805453372.db2.gz GUYCAAJVFWFRNH-UHFFFAOYSA-N 2 2 274.368 0.877 20 30 CCEDLP C=C[C@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001245982366 807105378 /nfs/dbraw/zinc/10/53/78/807105378.db2.gz DBDCGFRBSRZPKF-QWRGUYRKSA-N 2 2 258.362 0.572 20 30 CCEDLP C=CCN1CCC[C@H]1C[NH2+]C[C@H](O)C[NH+](CC)CC ZINC001253209661 808033050 /nfs/dbraw/zinc/03/30/50/808033050.db2.gz CWSXOUDQCQCKKV-GJZGRUSLSA-N 2 2 269.433 0.929 20 30 CCEDLP C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256071193 808468356 /nfs/dbraw/zinc/46/83/56/808468356.db2.gz QXMCNLYGCNTHFN-CABZTGNLSA-N 2 2 253.346 0.439 20 30 CCEDLP C[NH+](C)CC1(O)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC001262303789 809270501 /nfs/dbraw/zinc/27/05/01/809270501.db2.gz OYLYWBDIDPPDCX-CYBMUJFWSA-N 2 2 264.373 0.818 20 30 CCEDLP C#CC[N@@H+](C)CCOCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001264111740 809632147 /nfs/dbraw/zinc/63/21/47/809632147.db2.gz XHDRRIRGDAOGDB-UHFFFAOYSA-N 2 2 292.383 0.003 20 30 CCEDLP C#CC[N@H+](C)CCOCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001264111740 809632150 /nfs/dbraw/zinc/63/21/50/809632150.db2.gz XHDRRIRGDAOGDB-UHFFFAOYSA-N 2 2 292.383 0.003 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265306421 809753498 /nfs/dbraw/zinc/75/34/98/809753498.db2.gz PQQUHFBFCSITER-CHWSQXEVSA-N 2 2 260.341 0.658 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265306421 809753504 /nfs/dbraw/zinc/75/35/04/809753504.db2.gz PQQUHFBFCSITER-CHWSQXEVSA-N 2 2 260.341 0.658 20 30 CCEDLP C=CC[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001265802722 809856569 /nfs/dbraw/zinc/85/65/69/809856569.db2.gz OOKPHODLIBNMOF-LLVKDONJSA-N 2 2 250.346 0.633 20 30 CCEDLP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001266057510 809929040 /nfs/dbraw/zinc/92/90/40/809929040.db2.gz IYEJWFDPMRDZJH-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001266057510 809929044 /nfs/dbraw/zinc/92/90/44/809929044.db2.gz IYEJWFDPMRDZJH-CQSZACIVSA-N 2 2 288.395 0.907 20 30 CCEDLP C#CC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001280263252 810010500 /nfs/dbraw/zinc/01/05/00/810010500.db2.gz FKQIEYWEFAXCDV-ZDUSSCGKSA-N 2 2 274.368 0.424 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267304989 811125363 /nfs/dbraw/zinc/12/53/63/811125363.db2.gz NUNJFOXSPRCABV-ZDUSSCGKSA-N 2 2 290.367 0.040 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267304989 811125358 /nfs/dbraw/zinc/12/53/58/811125358.db2.gz NUNJFOXSPRCABV-ZDUSSCGKSA-N 2 2 290.367 0.040 20 30 CCEDLP C#CC[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267568773 811455797 /nfs/dbraw/zinc/45/57/97/811455797.db2.gz ZITMOGVQFHLJLW-ZDUSSCGKSA-N 2 2 274.368 0.722 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267568773 811455803 /nfs/dbraw/zinc/45/58/03/811455803.db2.gz ZITMOGVQFHLJLW-ZDUSSCGKSA-N 2 2 274.368 0.722 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570133 815469069 /nfs/dbraw/zinc/46/90/69/815469069.db2.gz GVTSHKLAHBHLDS-KGLIPLIRSA-N 2 2 286.335 0.524 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570133 815469071 /nfs/dbraw/zinc/46/90/71/815469071.db2.gz GVTSHKLAHBHLDS-KGLIPLIRSA-N 2 2 286.335 0.524 20 30 CCEDLP C=CC[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001268489890 812674922 /nfs/dbraw/zinc/67/49/22/812674922.db2.gz RBYKVCKTZKJBFK-UHFFFAOYSA-N 2 2 283.416 0.721 20 30 CCEDLP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268552334 812793550 /nfs/dbraw/zinc/79/35/50/812793550.db2.gz MCKBWGLJGGTCCZ-BLDJZWNYSA-N 2 2 260.341 0.961 20 30 CCEDLP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268552334 812793555 /nfs/dbraw/zinc/79/35/55/812793555.db2.gz MCKBWGLJGGTCCZ-BLDJZWNYSA-N 2 2 260.341 0.961 20 30 CCEDLP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001268760118 813070308 /nfs/dbraw/zinc/07/03/08/813070308.db2.gz RWAPGMMHOGHDLO-LBPRGKRZSA-N 2 2 250.346 0.896 20 30 CCEDLP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001268760118 813070318 /nfs/dbraw/zinc/07/03/18/813070318.db2.gz RWAPGMMHOGHDLO-LBPRGKRZSA-N 2 2 250.346 0.896 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638266 813086833 /nfs/dbraw/zinc/08/68/33/813086833.db2.gz FEZINKALTUJWJM-UONOGXRCSA-N 2 2 286.379 0.517 20 30 CCEDLP COCC#CC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167976381 813877798 /nfs/dbraw/zinc/87/77/98/813877798.db2.gz BPVYWKQKBYBEJP-CYBMUJFWSA-N 2 2 292.383 0.334 20 30 CCEDLP COCC#CC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167976381 813877810 /nfs/dbraw/zinc/87/78/10/813877810.db2.gz BPVYWKQKBYBEJP-CYBMUJFWSA-N 2 2 292.383 0.334 20 30 CCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001271282558 814367183 /nfs/dbraw/zinc/36/71/83/814367183.db2.gz ZHFJSFKAAHFLJZ-CQSZACIVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001271282558 814367192 /nfs/dbraw/zinc/36/71/92/814367192.db2.gz ZHFJSFKAAHFLJZ-CQSZACIVSA-N 2 2 293.411 0.045 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866538 814593839 /nfs/dbraw/zinc/59/38/39/814593839.db2.gz HXIFNTRVEPJIMZ-DZGCQCFKSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866538 814593844 /nfs/dbraw/zinc/59/38/44/814593844.db2.gz HXIFNTRVEPJIMZ-DZGCQCFKSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866538 814593849 /nfs/dbraw/zinc/59/38/49/814593849.db2.gz HXIFNTRVEPJIMZ-DZGCQCFKSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866538 814593853 /nfs/dbraw/zinc/59/38/53/814593853.db2.gz HXIFNTRVEPJIMZ-DZGCQCFKSA-N 2 2 286.379 0.898 20 30 CCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075883270 814762983 /nfs/dbraw/zinc/76/29/83/814762983.db2.gz VXUJMOHMKSKIGZ-SOUVJXGZSA-N 2 2 298.390 0.926 20 30 CCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075883270 814762986 /nfs/dbraw/zinc/76/29/86/814762986.db2.gz VXUJMOHMKSKIGZ-SOUVJXGZSA-N 2 2 298.390 0.926 20 30 CCEDLP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030183538 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C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191478017 845657611 /nfs/dbraw/zinc/65/76/11/845657611.db2.gz CMYRVVPTWZDTLE-CQSZACIVSA-N 2 2 288.395 0.909 20 30 CCEDLP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193797360 846156464 /nfs/dbraw/zinc/15/64/64/846156464.db2.gz VLPOQCUPUPQGTG-HNNXBMFYSA-N 2 2 288.395 0.909 20 30 CCEDLP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193797360 846156465 /nfs/dbraw/zinc/15/64/65/846156465.db2.gz VLPOQCUPUPQGTG-HNNXBMFYSA-N 2 2 288.395 0.909 20 30 CCEDLP C#CCN1CC[C@@]2(CCC[N@H+]2CCC[NH+](C)C)C1=O ZINC001273711405 846678375 /nfs/dbraw/zinc/67/83/75/846678375.db2.gz CUCDLDHDZLXBHT-HNNXBMFYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CCN1CC[C@@]2(CCC[N@@H+]2CCC[NH+](C)C)C1=O ZINC001273711405 846678381 /nfs/dbraw/zinc/67/83/81/846678381.db2.gz CUCDLDHDZLXBHT-HNNXBMFYSA-N 2 2 263.385 0.638 20 30 CCEDLP C#CCN1C[C@]2(CC1=O)COCC[N@@H+](CCC[NH+](C)C)C2 ZINC001273712188 846684830 /nfs/dbraw/zinc/68/48/30/846684830.db2.gz QSUIKFKCZKIVNT-MRXNPFEDSA-N 2 2 293.411 0.122 20 30 CCEDLP C#CCN1C[C@]2(CC1=O)COCC[N@H+](CCC[NH+](C)C)C2 ZINC001273712188 846684833 /nfs/dbraw/zinc/68/48/33/846684833.db2.gz QSUIKFKCZKIVNT-MRXNPFEDSA-N 2 2 293.411 0.122 20 30 CCEDLP C=C[C@@H](CO)NC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001199360152 847309606 /nfs/dbraw/zinc/30/96/06/847309606.db2.gz SCZPVCBTWQGRPG-LBPRGKRZSA-N 2 2 290.367 0.110 20 30 CCEDLP C#CC[NH2+]C/C=C/CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001274429481 848475719 /nfs/dbraw/zinc/47/57/19/848475719.db2.gz CYCIASGSSGMXCL-ZYOFXKKJSA-N 2 2 260.341 0.484 20 30 CCEDLP C#CC[NH2+]C/C=C/CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001274429481 848475722 /nfs/dbraw/zinc/47/57/22/848475722.db2.gz CYCIASGSSGMXCL-ZYOFXKKJSA-N 2 2 260.341 0.484 20 30 CCEDLP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001275450472 848725700 /nfs/dbraw/zinc/72/57/00/848725700.db2.gz FRJKNVOMGKEKAJ-VXGBXAGGSA-N 2 2 262.357 0.469 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC ZINC001037990888 849624505 /nfs/dbraw/zinc/62/45/05/849624505.db2.gz NWYOEERALZTWJO-ZIAGYGMSSA-N 2 2 274.368 0.733 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038423878 849890225 /nfs/dbraw/zinc/89/02/25/849890225.db2.gz GWQWGHKSQFDPBZ-UKRRQHHQSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038423878 849890231 /nfs/dbraw/zinc/89/02/31/849890231.db2.gz GWQWGHKSQFDPBZ-UKRRQHHQSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041347830 850434457 /nfs/dbraw/zinc/43/44/57/850434457.db2.gz ZXAGVWYDUUHXBH-MRXNPFEDSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001041347830 850434466 /nfs/dbraw/zinc/43/44/66/850434466.db2.gz ZXAGVWYDUUHXBH-MRXNPFEDSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001041347830 850434476 /nfs/dbraw/zinc/43/44/76/850434476.db2.gz ZXAGVWYDUUHXBH-MRXNPFEDSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001042173123 850586706 /nfs/dbraw/zinc/58/67/06/850586706.db2.gz LVURTAMNOWHJMJ-LSDHHAIUSA-N 2 2 286.379 0.829 20 30 CCEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046372945 851480218 /nfs/dbraw/zinc/48/02/18/851480218.db2.gz RQZVMJPSROOVTK-CZUORRHYSA-N 2 2 286.379 0.974 20 30 CCEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046372945 851480225 /nfs/dbraw/zinc/48/02/25/851480225.db2.gz RQZVMJPSROOVTK-CZUORRHYSA-N 2 2 286.379 0.974 20 30 CCEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047647204 851843256 /nfs/dbraw/zinc/84/32/56/851843256.db2.gz RNAVZKASOWDZOV-KBPBESRZSA-N 2 2 292.383 0.353 20 30 CCEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047647204 851843263 /nfs/dbraw/zinc/84/32/63/851843263.db2.gz RNAVZKASOWDZOV-KBPBESRZSA-N 2 2 292.383 0.353 20 30 CCEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049130940 852173988 /nfs/dbraw/zinc/17/39/88/852173988.db2.gz BVFYXUDKZFKYTM-BETUJISGSA-N 2 2 272.352 0.366 20 30 CCEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049130940 852173994 /nfs/dbraw/zinc/17/39/94/852173994.db2.gz BVFYXUDKZFKYTM-BETUJISGSA-N 2 2 272.352 0.366 20 30 CCEDLP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049624773 852320599 /nfs/dbraw/zinc/32/05/99/852320599.db2.gz IWXVQSVVYXAHIE-HUUCEWRRSA-N 2 2 286.379 0.972 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001049624773 852320606 /nfs/dbraw/zinc/32/06/06/852320606.db2.gz IWXVQSVVYXAHIE-HUUCEWRRSA-N 2 2 286.379 0.972 20 30 CCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053531054 852753398 /nfs/dbraw/zinc/75/33/98/852753398.db2.gz LVHRAHGBUMVKPH-AWEZNQCLSA-N 2 2 293.411 0.427 20 30 CCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053531054 852753404 /nfs/dbraw/zinc/75/34/04/852753404.db2.gz LVHRAHGBUMVKPH-AWEZNQCLSA-N 2 2 293.411 0.427 20 30 CCEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001054616908 852981669 /nfs/dbraw/zinc/98/16/69/852981669.db2.gz AYOFAUCSFRMULN-VXGBXAGGSA-N 2 2 260.341 0.412 20 30 CCEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001054951177 853043230 /nfs/dbraw/zinc/04/32/30/853043230.db2.gz JNSUFVNCRGRKBC-QWHCGFSZSA-N 2 2 262.357 0.896 20 30 CCEDLP C#CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001050773101 853425192 /nfs/dbraw/zinc/42/51/92/853425192.db2.gz AHKWBHXHRLMKDE-UHFFFAOYSA-N 2 2 272.352 0.441 20 30 CCEDLP C=CCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073486262 854564087 /nfs/dbraw/zinc/56/40/87/854564087.db2.gz YEAFECCULGRYGU-UHFFFAOYSA-N 2 2 274.368 0.994 20 30 CCEDLP C=CCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073486262 854564091 /nfs/dbraw/zinc/56/40/91/854564091.db2.gz YEAFECCULGRYGU-UHFFFAOYSA-N 2 2 274.368 0.994 20 30 CCEDLP C#CCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071756 855259058 /nfs/dbraw/zinc/25/90/58/855259058.db2.gz YMHNXRQNNPOATL-UHFFFAOYSA-N 2 2 260.341 0.391 20 30 CCEDLP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001323479710 912366338 /nfs/dbraw/zinc/36/63/38/912366338.db2.gz LTXRKKFWRDAJRA-CYBMUJFWSA-N 2 2 286.379 0.707 20 30 CCEDLP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001324642733 912958805 /nfs/dbraw/zinc/95/88/05/912958805.db2.gz XJYICDKMCOWOAD-GDBMZVCRSA-N 2 2 293.411 0.311 20 30 CCEDLP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001324642733 912958809 /nfs/dbraw/zinc/95/88/09/912958809.db2.gz XJYICDKMCOWOAD-GDBMZVCRSA-N 2 2 293.411 0.311 20 30 CCEDLP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001324642733 912958814 /nfs/dbraw/zinc/95/88/14/912958814.db2.gz XJYICDKMCOWOAD-GDBMZVCRSA-N 2 2 293.411 0.311 20 30 CCEDLP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001324642733 912958819 /nfs/dbraw/zinc/95/88/19/912958819.db2.gz XJYICDKMCOWOAD-GDBMZVCRSA-N 2 2 293.411 0.311 20 30 CCEDLP C=CC[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001325168850 913255195 /nfs/dbraw/zinc/25/51/95/913255195.db2.gz MVXBBULOCDDPIP-HNNXBMFYSA-N 2 2 292.383 0.402 20 30 CCEDLP C=CC[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001325168850 913255218 /nfs/dbraw/zinc/25/52/18/913255218.db2.gz MVXBBULOCDDPIP-HNNXBMFYSA-N 2 2 292.383 0.402 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001481101542 892162639 /nfs/dbraw/zinc/16/26/39/892162639.db2.gz AIPSYBBACXEEDL-ZDUSSCGKSA-N 2 2 260.341 0.345 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001481101542 892162645 /nfs/dbraw/zinc/16/26/45/892162645.db2.gz AIPSYBBACXEEDL-ZDUSSCGKSA-N 2 2 260.341 0.345 20 30 CCEDLP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481775186 893139242 /nfs/dbraw/zinc/13/92/42/893139242.db2.gz LHSVOXWIXNOGAG-AWEZNQCLSA-N 2 2 274.368 0.898 20 30 CCEDLP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481775186 893139250 /nfs/dbraw/zinc/13/92/50/893139250.db2.gz LHSVOXWIXNOGAG-AWEZNQCLSA-N 2 2 274.368 0.898 20 30 CCEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001481923229 893266894 /nfs/dbraw/zinc/26/68/94/893266894.db2.gz RYUSQUJUFRRTCN-GOEBONIOSA-N 2 2 293.411 0.215 20 30 CCEDLP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001481923229 893266912 /nfs/dbraw/zinc/26/69/12/893266912.db2.gz RYUSQUJUFRRTCN-GOEBONIOSA-N 2 2 293.411 0.215 20 30 CCEDLP C=CCC[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001482202791 893533812 /nfs/dbraw/zinc/53/38/12/893533812.db2.gz LUWBZBMBOOJZLN-CQSZACIVSA-N 2 2 292.383 0.356 20 30 CCEDLP C=CCC[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001482202791 893533822 /nfs/dbraw/zinc/53/38/22/893533822.db2.gz LUWBZBMBOOJZLN-CQSZACIVSA-N 2 2 292.383 0.356 20 30 CCEDLP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001482361112 893914472 /nfs/dbraw/zinc/91/44/72/893914472.db2.gz HYTKQWODDWAPFC-CYBMUJFWSA-N 2 2 276.384 0.813 20 30 CCEDLP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001482482670 894117528 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C[C@@H](CCC#N)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000602719664 362769837 /nfs/dbraw/zinc/76/98/37/362769837.db2.gz DXCMRKJIWABRHL-STQMWFEESA-N 2 2 266.389 0.856 20 30 CCEDLP C#CCNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261980250 352568618 /nfs/dbraw/zinc/56/86/18/352568618.db2.gz OSVFSDWTZVIPEX-QWHCGFSZSA-N 2 2 259.357 0.975 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604389810 363193283 /nfs/dbraw/zinc/19/32/83/363193283.db2.gz VEVDCAPGHBFMLO-HUUCEWRRSA-N 2 2 294.443 0.389 20 30 CCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389810 363193289 /nfs/dbraw/zinc/19/32/89/363193289.db2.gz VEVDCAPGHBFMLO-HUUCEWRRSA-N 2 2 294.443 0.389 20 30 CCEDLP C#CC[N@@H+](C)CCCNc1[nH+]cnc2c1cnn2C ZINC000292812149 353785277 /nfs/dbraw/zinc/78/52/77/353785277.db2.gz OFSVCSFMZNSDTQ-UHFFFAOYSA-N 2 2 258.329 0.730 20 30 CCEDLP C#CC[N@H+](C)CCCNc1[nH+]cnc2c1cnn2C ZINC000292812149 353785281 /nfs/dbraw/zinc/78/52/81/353785281.db2.gz 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Cc1c(C#N)cccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568486717 358677195 /nfs/dbraw/zinc/67/71/95/358677195.db2.gz BEJRRNJBPCTTBV-ZDUSSCGKSA-N 2 2 287.367 0.973 20 30 CCEDLP Cc1c(C#N)cccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568486717 358677196 /nfs/dbraw/zinc/67/71/96/358677196.db2.gz BEJRRNJBPCTTBV-ZDUSSCGKSA-N 2 2 287.367 0.973 20 30 CCEDLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440536 360309944 /nfs/dbraw/zinc/30/99/44/360309944.db2.gz DZLYEUXWWQWVAG-QWHCGFSZSA-N 2 2 282.388 0.235 20 30 CCEDLP C[C@H](C#N)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611623848 363751278 /nfs/dbraw/zinc/75/12/78/363751278.db2.gz DFQYRYBIRHLYLB-CHWSQXEVSA-N 2 2 293.415 0.614 20 30 CCEDLP C[C@H](C#N)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611623848 363751284 /nfs/dbraw/zinc/75/12/84/363751284.db2.gz DFQYRYBIRHLYLB-CHWSQXEVSA-N 2 2 293.415 0.614 20 30 CCEDLP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)C#N)cn2)CC1 ZINC000612585885 363964698 /nfs/dbraw/zinc/96/46/98/363964698.db2.gz VDQSSSQAEDTUHP-UHFFFAOYSA-N 2 2 288.399 0.868 20 30 CCEDLP C=CCN1CC[C@@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631834864 370700318 /nfs/dbraw/zinc/70/03/18/370700318.db2.gz HJEIBAXPKLHIBJ-CHWSQXEVSA-N 2 2 251.374 0.977 20 30 CCEDLP C=CCN1CC[C@@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631834864 370700321 /nfs/dbraw/zinc/70/03/21/370700321.db2.gz HJEIBAXPKLHIBJ-CHWSQXEVSA-N 2 2 251.374 0.977 20 30 CCEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629560311 369708751 /nfs/dbraw/zinc/70/87/51/369708751.db2.gz LJQLLTRUDGMQTH-HNNXBMFYSA-N 3 2 267.417 0.683 20 30 CCEDLP C[NH+]1CCN(C(=O)CC[N@H+](CC#N)C2CCCC2)CC1 ZINC000338304729 389107816 /nfs/dbraw/zinc/10/78/16/389107816.db2.gz HJQQQVHCTWQROR-UHFFFAOYSA-N 2 2 278.400 0.919 20 30 CCEDLP C[NH+]1CCN(C(=O)CC[N@@H+](CC#N)C2CCCC2)CC1 ZINC000338304729 389107818 /nfs/dbraw/zinc/10/78/18/389107818.db2.gz HJQQQVHCTWQROR-UHFFFAOYSA-N 2 2 278.400 0.919 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360554948 389199953 /nfs/dbraw/zinc/19/99/53/389199953.db2.gz ZYIKANLZHKGCPV-FZMZJTMJSA-N 2 2 280.372 0.072 20 30 CCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360554948 389199955 /nfs/dbraw/zinc/19/99/55/389199955.db2.gz ZYIKANLZHKGCPV-FZMZJTMJSA-N 2 2 280.372 0.072 20 30 CCEDLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329303643 389155212 /nfs/dbraw/zinc/15/52/12/389155212.db2.gz OAHYVYZUAFHLSJ-SNVBAGLBSA-N 2 2 263.345 0.660 20 30 CCEDLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329303643 389155215 /nfs/dbraw/zinc/15/52/15/389155215.db2.gz OAHYVYZUAFHLSJ-SNVBAGLBSA-N 2 2 263.345 0.660 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123695128 389157260 /nfs/dbraw/zinc/15/72/60/389157260.db2.gz YPAJFAPXYFMOQL-RYUDHWBXSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123695128 389157261 /nfs/dbraw/zinc/15/72/61/389157261.db2.gz YPAJFAPXYFMOQL-RYUDHWBXSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123695128 389157262 /nfs/dbraw/zinc/15/72/62/389157262.db2.gz YPAJFAPXYFMOQL-RYUDHWBXSA-N 2 2 282.388 0.413 20 30 CCEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123695128 389157263 /nfs/dbraw/zinc/15/72/63/389157263.db2.gz YPAJFAPXYFMOQL-RYUDHWBXSA-N 2 2 282.388 0.413 20 30 CCEDLP C[C@H](C#N)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000343653961 389268704 /nfs/dbraw/zinc/26/87/04/389268704.db2.gz GURVYPLTPOQDQC-GFCCVEGCSA-N 2 2 266.389 0.630 20 30 CCEDLP C[C@H](C#N)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000343653961 389268705 /nfs/dbraw/zinc/26/87/05/389268705.db2.gz GURVYPLTPOQDQC-GFCCVEGCSA-N 2 2 266.389 0.630 20 30 CCEDLP C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000343653965 389268714 /nfs/dbraw/zinc/26/87/14/389268714.db2.gz GURVYPLTPOQDQC-LBPRGKRZSA-N 2 2 266.389 0.630 20 30 CCEDLP C[C@@H](C#N)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000343653965 389268716 /nfs/dbraw/zinc/26/87/16/389268716.db2.gz GURVYPLTPOQDQC-LBPRGKRZSA-N 2 2 266.389 0.630 20 30 CCEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N(C)Cc1ccon1 ZINC000261792763 389276314 /nfs/dbraw/zinc/27/63/14/389276314.db2.gz QOVGKTVGPOTBGL-LBPRGKRZSA-N 2 2 281.360 0.012 20 30 CCEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N(C)Cc1ccon1 ZINC000261792763 389276321 /nfs/dbraw/zinc/27/63/21/389276321.db2.gz QOVGKTVGPOTBGL-LBPRGKRZSA-N 2 2 281.360 0.012 20 30 CCEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCOCC1)c1cccs1 ZINC000262257331 389283712 /nfs/dbraw/zinc/28/37/12/389283712.db2.gz JDUCKOCPCAAUPQ-LLVKDONJSA-N 2 2 282.413 0.998 20 30 CCEDLP C[N@H+](CC(=O)NCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352917932 389840912 /nfs/dbraw/zinc/84/09/12/389840912.db2.gz ZUKFXXNWGXAQDX-FOSCPWQOSA-N 2 2 250.346 0.183 20 30 CCEDLP C[N@@H+](CC(=O)NCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352917932 389840915 /nfs/dbraw/zinc/84/09/15/389840915.db2.gz ZUKFXXNWGXAQDX-FOSCPWQOSA-N 2 2 250.346 0.183 20 30 CCEDLP C[NH+](CC(=O)NCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352917932 389840918 /nfs/dbraw/zinc/84/09/18/389840918.db2.gz ZUKFXXNWGXAQDX-FOSCPWQOSA-N 2 2 250.346 0.183 20 30 CCEDLP C[NH+](CC(=O)NCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352917932 389840922 /nfs/dbraw/zinc/84/09/22/389840922.db2.gz ZUKFXXNWGXAQDX-FOSCPWQOSA-N 2 2 250.346 0.183 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580392016 390243625 /nfs/dbraw/zinc/24/36/25/390243625.db2.gz YMIPPFUGMDJSAL-CYBMUJFWSA-N 2 2 289.383 0.972 20 30 CCEDLP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580392016 390243631 /nfs/dbraw/zinc/24/36/31/390243631.db2.gz YMIPPFUGMDJSAL-CYBMUJFWSA-N 2 2 289.383 0.972 20 30 CCEDLP C[C@@H]1CCC[N@H+](CCNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000583859079 390317679 /nfs/dbraw/zinc/31/76/79/390317679.db2.gz AHFLFSBSJFIYAK-HUUCEWRRSA-N 2 2 282.432 0.514 20 30 CCEDLP C[C@@H]1CCC[N@@H+](CCNC[C@@H](O)C[NH+](C)CCC#N)C1 ZINC000583859079 390317682 /nfs/dbraw/zinc/31/76/82/390317682.db2.gz AHFLFSBSJFIYAK-HUUCEWRRSA-N 2 2 282.432 0.514 20 30 CCEDLP C[C@@H]1CCC[NH+](CCNC[C@@H](O)C[N@H+](C)CCC#N)C1 ZINC000583859079 390317685 /nfs/dbraw/zinc/31/76/85/390317685.db2.gz AHFLFSBSJFIYAK-HUUCEWRRSA-N 2 2 282.432 0.514 20 30 CCEDLP C[C@@H]1CCC[NH+](CCNC[C@@H](O)C[N@@H+](C)CCC#N)C1 ZINC000583859079 390317689 /nfs/dbraw/zinc/31/76/89/390317689.db2.gz AHFLFSBSJFIYAK-HUUCEWRRSA-N 2 2 282.432 0.514 20 30 CCEDLP CC#CCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000567711689 390710605 /nfs/dbraw/zinc/71/06/05/390710605.db2.gz MGVBZWVDAFJFKO-MCIONIFRSA-N 2 2 254.374 0.460 20 30 CCEDLP N#Cc1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000571582609 390743307 /nfs/dbraw/zinc/74/33/07/390743307.db2.gz VNNJMEKRGSYPHN-KGLIPLIRSA-N 2 2 270.336 0.302 20 30 CCEDLP N#Cc1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000571582609 390743309 /nfs/dbraw/zinc/74/33/09/390743309.db2.gz VNNJMEKRGSYPHN-KGLIPLIRSA-N 2 2 270.336 0.302 20 30 CCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nccnc3C#N)C2)CC1 ZINC000369264036 144260506 /nfs/dbraw/zinc/26/05/06/144260506.db2.gz ABCXXOZSPFMLOV-GFCCVEGCSA-N 2 2 286.383 0.929 20 30 CCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nccnc3C#N)C2)CC1 ZINC000369264036 144260508 /nfs/dbraw/zinc/26/05/08/144260508.db2.gz ABCXXOZSPFMLOV-GFCCVEGCSA-N 2 2 286.383 0.929 20 30 CCEDLP COCC#CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649624884 397650144 /nfs/dbraw/zinc/65/01/44/397650144.db2.gz KOFUMQQRXFRFBS-UHFFFAOYSA-N 2 2 266.385 0.463 20 30 CCEDLP COCC#CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152304 414693345 /nfs/dbraw/zinc/69/33/45/414693345.db2.gz CTAOLJYZTUMOLG-CQSZACIVSA-N 2 2 252.358 0.167 20 30 CCEDLP COCC#CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152304 414693346 /nfs/dbraw/zinc/69/33/46/414693346.db2.gz CTAOLJYZTUMOLG-CQSZACIVSA-N 2 2 252.358 0.167 20 30 CCEDLP C=CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)COC ZINC000662853469 414844975 /nfs/dbraw/zinc/84/49/75/414844975.db2.gz GJLDIQWSGGMPAP-NEPJUHHUSA-N 2 2 257.378 0.315 20 30 CCEDLP C=CC[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000662870616 414856280 /nfs/dbraw/zinc/85/62/80/414856280.db2.gz IVLQKDJDFIFDSX-ZBFHGGJFSA-N 2 2 293.411 0.618 20 30 CCEDLP C=CCC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584340969 328128100 /nfs/dbraw/zinc/12/81/00/328128100.db2.gz FHKLPTURDVWFKH-GFCCVEGCSA-N 2 2 268.405 0.873 20 30 CCEDLP C=CCC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584340969 328128101 /nfs/dbraw/zinc/12/81/01/328128101.db2.gz FHKLPTURDVWFKH-GFCCVEGCSA-N 2 2 268.405 0.873 20 30 CCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000173644176 329150229 /nfs/dbraw/zinc/15/02/29/329150229.db2.gz CPQYYXOONPJQKF-LBPRGKRZSA-N 2 2 269.389 0.378 20 30 CCEDLP C[C@@H]1C[NH+]=C(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)N1 ZINC000262676383 330026186 /nfs/dbraw/zinc/02/61/86/330026186.db2.gz UBDHTJNGKUFZLQ-IJLUTSLNSA-N 2 2 268.405 0.812 20 30 CCEDLP C[C@H]1C[NH+](C(C)(C)CNC2=[NH+]CCN2C)C[C@H](C)O1 ZINC000262686224 330027218 /nfs/dbraw/zinc/02/72/18/330027218.db2.gz YMDMBZYPKGVERB-RYUDHWBXSA-N 2 2 268.405 0.765 20 30 CCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NC[C@@H]1CCOC1 ZINC000262754182 330029396 /nfs/dbraw/zinc/02/93/96/330029396.db2.gz AQFZYYYALSVQIO-LBPRGKRZSA-N 2 2 286.445 0.237 20 30 CCEDLP N#CCCC[C@@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000424144284 330289569 /nfs/dbraw/zinc/28/95/69/330289569.db2.gz KZRWZTQGPWCAQT-GFCCVEGCSA-N 2 2 271.324 0.972 20 30 CCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424158980 330305759 /nfs/dbraw/zinc/30/57/59/330305759.db2.gz RSPODYQMWBJTNY-LBPRGKRZSA-N 2 2 282.388 0.235 20 30 CCEDLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424158980 330305760 /nfs/dbraw/zinc/30/57/60/330305760.db2.gz RSPODYQMWBJTNY-LBPRGKRZSA-N 2 2 282.388 0.235 20 30 CCEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000424386791 330349658 /nfs/dbraw/zinc/34/96/58/330349658.db2.gz XYRYXHVYJJSFGD-AJNGGQMLSA-N 2 2 266.385 0.934 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCC=C)CC1 ZINC000490741622 332111718 /nfs/dbraw/zinc/11/17/18/332111718.db2.gz UDTSFEZEQACRCB-UHFFFAOYSA-N 2 2 263.385 0.662 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCC=C)CC1 ZINC000490741622 332111719 /nfs/dbraw/zinc/11/17/19/332111719.db2.gz UDTSFEZEQACRCB-UHFFFAOYSA-N 2 2 263.385 0.662 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2C)CC1 ZINC000490865697 332121855 /nfs/dbraw/zinc/12/18/55/332121855.db2.gz GLTIPVLTXRWESS-KBPBESRZSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)C[C@@H]2C)CC1 ZINC000490865697 332121857 /nfs/dbraw/zinc/12/18/57/332121857.db2.gz GLTIPVLTXRWESS-KBPBESRZSA-N 2 2 263.385 0.494 20 30 CCEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000490922095 332129317 /nfs/dbraw/zinc/12/93/17/332129317.db2.gz BQLVISDGPZTGRT-ZDUSSCGKSA-N 2 2 281.381 0.396 20 30 CCEDLP C#CC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000490922095 332129319 /nfs/dbraw/zinc/12/93/19/332129319.db2.gz BQLVISDGPZTGRT-ZDUSSCGKSA-N 2 2 281.381 0.396 20 30 CCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000491046212 332142895 /nfs/dbraw/zinc/14/28/95/332142895.db2.gz OTMAIVORXWSTDQ-CQSZACIVSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000491640504 332260367 /nfs/dbraw/zinc/26/03/67/332260367.db2.gz YAIDGQHZBRCNAK-QLFBSQMISA-N 2 2 275.396 0.542 20 30 CCEDLP C#C[C@@H]1COCC[N@@H+]1CCCCC[NH+]1CCOC[C@@H]1C#C ZINC000491641775 332260952 /nfs/dbraw/zinc/26/09/52/332260952.db2.gz SXHAIWRBAIMAST-CALCHBBNSA-N 2 2 290.407 0.825 20 30 CCEDLP C#C[C@@H]1COCC[N@H+]1CCCCC[NH+]1CCOC[C@@H]1C#C ZINC000491641775 332260954 /nfs/dbraw/zinc/26/09/54/332260954.db2.gz SXHAIWRBAIMAST-CALCHBBNSA-N 2 2 290.407 0.825 20 30 CCEDLP C#C[C@@H]1COCC[NH+]1CCCCC[N@@H+]1CCOC[C@@H]1C#C ZINC000491641775 332260956 /nfs/dbraw/zinc/26/09/56/332260956.db2.gz SXHAIWRBAIMAST-CALCHBBNSA-N 2 2 290.407 0.825 20 30 CCEDLP C#C[C@@H]1COCC[NH+]1CCCCC[N@H+]1CCOC[C@@H]1C#C ZINC000491641775 332260957 /nfs/dbraw/zinc/26/09/57/332260957.db2.gz SXHAIWRBAIMAST-CALCHBBNSA-N 2 2 290.407 0.825 20 30 CCEDLP C#C[C@@H](C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000491657550 332268717 /nfs/dbraw/zinc/26/87/17/332268717.db2.gz GLLUPCHLKWLTEN-HUUCEWRRSA-N 2 2 295.427 0.413 20 30 CCEDLP C#C[C@@H](C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000491657550 332268718 /nfs/dbraw/zinc/26/87/18/332268718.db2.gz GLLUPCHLKWLTEN-HUUCEWRRSA-N 2 2 295.427 0.413 20 30 CCEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000491657550 332268719 /nfs/dbraw/zinc/26/87/19/332268719.db2.gz GLLUPCHLKWLTEN-HUUCEWRRSA-N 2 2 295.427 0.413 20 30 CCEDLP C#C[C@@H](C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000491657550 332268720 /nfs/dbraw/zinc/26/87/20/332268720.db2.gz GLLUPCHLKWLTEN-HUUCEWRRSA-N 2 2 295.427 0.413 20 30 CCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)C[C@@H]2C)CC1 ZINC000491776473 332341953 /nfs/dbraw/zinc/34/19/53/332341953.db2.gz WBVDUEGPDGAGAG-AWEZNQCLSA-N 2 2 277.412 0.884 20 30 CCEDLP CC1CC[NH+](CCNC[C@@H](O)C[N@H+](C)CCC#N)CC1 ZINC000517732307 333106884 /nfs/dbraw/zinc/10/68/84/333106884.db2.gz AUFUDGXDULJKJH-OAHLLOKOSA-N 2 2 282.432 0.514 20 30 CCEDLP CC1CC[NH+](CCNC[C@@H](O)C[N@@H+](C)CCC#N)CC1 ZINC000517732307 333106885 /nfs/dbraw/zinc/10/68/85/333106885.db2.gz AUFUDGXDULJKJH-OAHLLOKOSA-N 2 2 282.432 0.514 20 30 CCEDLP N#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134942801 334109141 /nfs/dbraw/zinc/10/91/41/334109141.db2.gz OCLZFYJRQRSWSS-JSGCOSHPSA-N 2 2 276.384 0.575 20 30 CCEDLP N#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134942801 334109142 /nfs/dbraw/zinc/10/91/42/334109142.db2.gz OCLZFYJRQRSWSS-JSGCOSHPSA-N 2 2 276.384 0.575 20 30 CCEDLP N#CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134942801 334109143 /nfs/dbraw/zinc/10/91/43/334109143.db2.gz OCLZFYJRQRSWSS-JSGCOSHPSA-N 2 2 276.384 0.575 20 30 CCEDLP N#CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134942801 334109144 /nfs/dbraw/zinc/10/91/44/334109144.db2.gz OCLZFYJRQRSWSS-JSGCOSHPSA-N 2 2 276.384 0.575 20 30 CCEDLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C#N)CC1 ZINC000385879742 336159021 /nfs/dbraw/zinc/15/90/21/336159021.db2.gz BNBDASJRQMBLBX-ZDUSSCGKSA-N 2 2 255.362 0.161 20 30 CCEDLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C#N)CC1 ZINC000385879742 336159022 /nfs/dbraw/zinc/15/90/22/336159022.db2.gz BNBDASJRQMBLBX-ZDUSSCGKSA-N 2 2 255.362 0.161 20 30 CCEDLP C=C[C@@](C)(O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667641604 545152237 /nfs/dbraw/zinc/15/22/37/545152237.db2.gz ZOHXNSSSVGQGLW-MRXNPFEDSA-N 2 2 295.427 0.598 20 30 CCEDLP CC[NH+](CC)CC(=O)N1CC[NH+](CC#CCOC)CC1 ZINC000677133279 545358266 /nfs/dbraw/zinc/35/82/66/545358266.db2.gz PUYMQXRCHLLCRU-UHFFFAOYSA-N 2 2 281.400 0.122 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000769143481 581674997 /nfs/dbraw/zinc/67/49/97/581674997.db2.gz BCZRKEPDGUALFH-IHRRRGAJSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000769143481 581674999 /nfs/dbraw/zinc/67/49/99/581674999.db2.gz BCZRKEPDGUALFH-IHRRRGAJSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000769143481 581675001 /nfs/dbraw/zinc/67/50/01/581675001.db2.gz BCZRKEPDGUALFH-IHRRRGAJSA-N 2 2 263.385 0.635 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000769143481 581675004 /nfs/dbraw/zinc/67/50/04/581675004.db2.gz BCZRKEPDGUALFH-IHRRRGAJSA-N 2 2 263.385 0.635 20 30 CCEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000747963258 581957729 /nfs/dbraw/zinc/95/77/29/581957729.db2.gz UNDILFODHFWZQR-ZDUSSCGKSA-N 2 2 266.389 0.680 20 30 CCEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCC#N)C1 ZINC000747963258 581957733 /nfs/dbraw/zinc/95/77/33/581957733.db2.gz UNDILFODHFWZQR-ZDUSSCGKSA-N 2 2 266.389 0.680 20 30 CCEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000747963258 581957736 /nfs/dbraw/zinc/95/77/36/581957736.db2.gz UNDILFODHFWZQR-ZDUSSCGKSA-N 2 2 266.389 0.680 20 30 CCEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000747963258 581957740 /nfs/dbraw/zinc/95/77/40/581957740.db2.gz UNDILFODHFWZQR-ZDUSSCGKSA-N 2 2 266.389 0.680 20 30 CCEDLP N#CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749516148 582011456 /nfs/dbraw/zinc/01/14/56/582011456.db2.gz STFWHSKNRQYLBA-DZGCQCFKSA-N 2 2 290.411 0.965 20 30 CCEDLP N#CCCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749516148 582011458 /nfs/dbraw/zinc/01/14/58/582011458.db2.gz STFWHSKNRQYLBA-DZGCQCFKSA-N 2 2 290.411 0.965 20 30 CCEDLP N#CCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749516148 582011459 /nfs/dbraw/zinc/01/14/59/582011459.db2.gz STFWHSKNRQYLBA-DZGCQCFKSA-N 2 2 290.411 0.965 20 30 CCEDLP N#CCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749516148 582011461 /nfs/dbraw/zinc/01/14/61/582011461.db2.gz STFWHSKNRQYLBA-DZGCQCFKSA-N 2 2 290.411 0.965 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131381 612950102 /nfs/dbraw/zinc/95/01/02/612950102.db2.gz WKESPUVAILTIAV-KGLIPLIRSA-N 2 2 286.379 0.730 20 30 CCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887131381 612950104 /nfs/dbraw/zinc/95/01/04/612950104.db2.gz WKESPUVAILTIAV-KGLIPLIRSA-N 2 2 286.379 0.730 20 30 CCEDLP C#CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC000964184749 612955448 /nfs/dbraw/zinc/95/54/48/612955448.db2.gz IEZOHSXBSQTBAX-UHFFFAOYSA-N 2 2 288.395 0.955 20 30 CCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000876746623 613387851 /nfs/dbraw/zinc/38/78/51/613387851.db2.gz MEHQVLTZKVPSJB-GHMZBOCLSA-N 2 2 275.780 0.293 20 30 CCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000876746623 613387852 /nfs/dbraw/zinc/38/78/52/613387852.db2.gz MEHQVLTZKVPSJB-GHMZBOCLSA-N 2 2 275.780 0.293 20 30 CCEDLP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981354135 612973268 /nfs/dbraw/zinc/97/32/68/612973268.db2.gz OGAYTDCWQPHUGV-RYUDHWBXSA-N 2 2 260.341 0.602 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000969431769 612961002 /nfs/dbraw/zinc/96/10/02/612961002.db2.gz KVCAOYLLGVVRAX-GFCCVEGCSA-N 2 2 260.341 0.176 20 30 CCEDLP C#CCC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000800366970 613011761 /nfs/dbraw/zinc/01/17/61/613011761.db2.gz PBRVIQNWOCFJKN-OAHLLOKOSA-N 2 2 265.401 0.348 20 30 CCEDLP C#CCC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000800366970 613011762 /nfs/dbraw/zinc/01/17/62/613011762.db2.gz PBRVIQNWOCFJKN-OAHLLOKOSA-N 2 2 265.401 0.348 20 30 CCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971820380 613092982 /nfs/dbraw/zinc/09/29/82/613092982.db2.gz DFMLIXUGHXYJDJ-KBPBESRZSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971820380 613092984 /nfs/dbraw/zinc/09/29/84/613092984.db2.gz DFMLIXUGHXYJDJ-KBPBESRZSA-N 2 2 286.379 0.611 20 30 CCEDLP C#CC[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981080351 613151704 /nfs/dbraw/zinc/15/17/04/613151704.db2.gz XSZNYEKPXUWBHE-UHFFFAOYSA-N 2 2 260.341 0.510 20 30 CCEDLP C#CC[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981080351 613151705 /nfs/dbraw/zinc/15/17/05/613151705.db2.gz XSZNYEKPXUWBHE-UHFFFAOYSA-N 2 2 260.341 0.510 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2CC)C1 ZINC000890363409 613167418 /nfs/dbraw/zinc/16/74/18/613167418.db2.gz OCRYEGOWWOXIQE-HUUCEWRRSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2CC)C1 ZINC000890363409 613167419 /nfs/dbraw/zinc/16/74/19/613167419.db2.gz OCRYEGOWWOXIQE-HUUCEWRRSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2CC)C1 ZINC000890363409 613167421 /nfs/dbraw/zinc/16/74/21/613167421.db2.gz OCRYEGOWWOXIQE-HUUCEWRRSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C[C@H]2CC)C1 ZINC000890363409 613167422 /nfs/dbraw/zinc/16/74/22/613167422.db2.gz OCRYEGOWWOXIQE-HUUCEWRRSA-N 2 2 292.427 0.820 20 30 CCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000923559208 613172070 /nfs/dbraw/zinc/17/20/70/613172070.db2.gz IVVQBHYXTBETOS-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000923559208 613172071 /nfs/dbraw/zinc/17/20/71/613172071.db2.gz IVVQBHYXTBETOS-ZIAGYGMSSA-N 2 2 286.379 0.659 20 30 CCEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000884612641 613193507 /nfs/dbraw/zinc/19/35/07/613193507.db2.gz QMZAGQZQSXEAHY-LBPRGKRZSA-N 2 2 297.366 0.754 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000884612641 613193508 /nfs/dbraw/zinc/19/35/08/613193508.db2.gz QMZAGQZQSXEAHY-LBPRGKRZSA-N 2 2 297.366 0.754 20 30 CCEDLP C=C(Br)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000818978919 613238436 /nfs/dbraw/zinc/23/84/36/613238436.db2.gz CKNWGTOVTKRKQH-NSHDSACASA-N 2 2 292.221 0.093 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179803 613260856 /nfs/dbraw/zinc/26/08/56/613260856.db2.gz ZHMBVNKMISSNSM-YPMHNXCESA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943179803 613260859 /nfs/dbraw/zinc/26/08/59/613260859.db2.gz ZHMBVNKMISSNSM-YPMHNXCESA-N 2 2 260.341 0.412 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863581430 613326344 /nfs/dbraw/zinc/32/63/44/613326344.db2.gz ACMQNBCQRDDNML-AWEZNQCLSA-N 2 2 263.385 0.732 20 30 CCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000863581430 613326346 /nfs/dbraw/zinc/32/63/46/613326346.db2.gz ACMQNBCQRDDNML-AWEZNQCLSA-N 2 2 263.385 0.732 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000900595044 613365201 /nfs/dbraw/zinc/36/52/01/613365201.db2.gz VBGDRVRBYGJWLD-KBPBESRZSA-N 2 2 283.416 0.720 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000900808021 613365301 /nfs/dbraw/zinc/36/53/01/613365301.db2.gz XXZPUJMNZPIZKA-UONOGXRCSA-N 2 2 282.432 0.245 20 30 CCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000900808021 613365302 /nfs/dbraw/zinc/36/53/02/613365302.db2.gz XXZPUJMNZPIZKA-UONOGXRCSA-N 2 2 282.432 0.245 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000876754540 613389987 /nfs/dbraw/zinc/38/99/87/613389987.db2.gz SBHBIHCVHBIEGF-QWRGUYRKSA-N 2 2 275.780 0.293 20 30 CCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000876754540 613389988 /nfs/dbraw/zinc/38/99/88/613389988.db2.gz SBHBIHCVHBIEGF-QWRGUYRKSA-N 2 2 275.780 0.293 20 30 CCEDLP C=CC[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000883425061 613413277 /nfs/dbraw/zinc/41/32/77/613413277.db2.gz KOTRGOYSTGDMHH-STQMWFEESA-N 2 2 251.374 0.847 20 30 CCEDLP C=CC[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000883425061 613413281 /nfs/dbraw/zinc/41/32/81/613413281.db2.gz KOTRGOYSTGDMHH-STQMWFEESA-N 2 2 251.374 0.847 20 30 CCEDLP 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C#CC[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898492 803303495 /nfs/dbraw/zinc/30/34/95/803303495.db2.gz UAJZOEXXEDQLDW-UHFFFAOYSA-N 2 2 274.368 0.722 20 30 CCEDLP C#CC[NH2+]CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001206905626 803304415 /nfs/dbraw/zinc/30/44/15/803304415.db2.gz GEDILEVFSUYSJF-UHFFFAOYSA-N 2 2 288.395 0.814 20 30 CCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836807 803631734 /nfs/dbraw/zinc/63/17/34/803631734.db2.gz NSJKPFCZRJICPK-LBPRGKRZSA-N 2 2 260.341 0.556 20 30 CCEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302440 803646319 /nfs/dbraw/zinc/64/63/19/803646319.db2.gz BXMMFDGNGPXPAS-ZDUSSCGKSA-N 2 2 290.367 0.183 20 30 CCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215199818 803783137 /nfs/dbraw/zinc/78/31/37/803783137.db2.gz GTEVPFQMSYUHCS-ZIAGYGMSSA-N 2 2 288.395 0.813 20 30 CCEDLP N#Cc1cc(F)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c(Cl)c1 ZINC001218994606 804178775 /nfs/dbraw/zinc/17/87/75/804178775.db2.gz IOAUPMLGADTJRR-VIFPVBQESA-N 2 2 270.695 0.965 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220542714 804621712 /nfs/dbraw/zinc/62/17/12/804621712.db2.gz NJJXHAWKMUXGOA-KGLIPLIRSA-N 2 2 292.383 0.319 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220542714 804621718 /nfs/dbraw/zinc/62/17/18/804621718.db2.gz NJJXHAWKMUXGOA-KGLIPLIRSA-N 2 2 292.383 0.319 20 30 CCEDLP N#CC1(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCOCC1 ZINC001220967039 804710598 /nfs/dbraw/zinc/71/05/98/804710598.db2.gz PCMHFIWMOISUMG-ZDUSSCGKSA-N 2 2 288.351 0.448 20 30 CCEDLP C#CCOC[C@@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001251890637 807735844 /nfs/dbraw/zinc/73/58/44/807735844.db2.gz FBAJDUBREFJNBT-HNNXBMFYSA-N 2 2 289.379 0.651 20 30 CCEDLP C=CCC[C@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001252603735 807918985 /nfs/dbraw/zinc/91/89/85/807918985.db2.gz GCZOHUVCUJEZKJ-AWEZNQCLSA-N 2 2 253.390 0.245 20 30 CCEDLP C=C[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252948023 807988577 /nfs/dbraw/zinc/98/85/77/807988577.db2.gz IJQBVBSVBRUGQM-HOTGVXAUSA-N 2 2 276.380 0.760 20 30 CCEDLP C=C[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252948023 807988585 /nfs/dbraw/zinc/98/85/85/807988585.db2.gz IJQBVBSVBRUGQM-HOTGVXAUSA-N 2 2 276.380 0.760 20 30 CCEDLP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001278883740 808426354 /nfs/dbraw/zinc/42/63/54/808426354.db2.gz QZSQSVJTQWZOCV-AWEZNQCLSA-N 2 2 295.427 0.600 20 30 CCEDLP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001278883740 808426357 /nfs/dbraw/zinc/42/63/57/808426357.db2.gz QZSQSVJTQWZOCV-AWEZNQCLSA-N 2 2 295.427 0.600 20 30 CCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001278922890 808485780 /nfs/dbraw/zinc/48/57/80/808485780.db2.gz PJAUXXAVEWBGHM-UHFFFAOYSA-N 2 2 283.416 0.457 20 30 CCEDLP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCOC ZINC001279045630 808635189 /nfs/dbraw/zinc/63/51/89/808635189.db2.gz ZUPBSHVTNQVUIB-HNNXBMFYSA-N 2 2 295.427 0.559 20 30 CCEDLP CC#CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)CCOC ZINC001279045630 808635192 /nfs/dbraw/zinc/63/51/92/808635192.db2.gz ZUPBSHVTNQVUIB-HNNXBMFYSA-N 2 2 295.427 0.559 20 30 CCEDLP CC#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CCOC ZINC001279045630 808635197 /nfs/dbraw/zinc/63/51/97/808635197.db2.gz ZUPBSHVTNQVUIB-HNNXBMFYSA-N 2 2 295.427 0.559 20 30 CCEDLP CC#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)CCOC ZINC001279045630 808635200 /nfs/dbraw/zinc/63/52/00/808635200.db2.gz ZUPBSHVTNQVUIB-HNNXBMFYSA-N 2 2 295.427 0.559 20 30 CCEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265546545 809802202 /nfs/dbraw/zinc/80/22/02/809802202.db2.gz QNZXELHIWWHQFP-MELADBBJSA-N 2 2 286.379 0.706 20 30 CCEDLP C#CCC[NH2+]CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001267390473 811274914 /nfs/dbraw/zinc/27/49/14/811274914.db2.gz PEKHONYQCPUFMB-UHFFFAOYSA-N 2 2 276.384 0.998 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001028094130 812272838 /nfs/dbraw/zinc/27/28/38/812272838.db2.gz VEFURWPDYQJQPU-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028094130 812272844 /nfs/dbraw/zinc/27/28/44/812272844.db2.gz VEFURWPDYQJQPU-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028094130 812272853 /nfs/dbraw/zinc/27/28/53/812272853.db2.gz VEFURWPDYQJQPU-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028094130 812272858 /nfs/dbraw/zinc/27/28/58/812272858.db2.gz VEFURWPDYQJQPU-LSDHHAIUSA-N 2 2 293.411 0.309 20 30 CCEDLP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001268760117 813070499 /nfs/dbraw/zinc/07/04/99/813070499.db2.gz RWAPGMMHOGHDLO-GFCCVEGCSA-N 2 2 250.346 0.896 20 30 CCEDLP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001268760117 813070510 /nfs/dbraw/zinc/07/05/10/813070510.db2.gz RWAPGMMHOGHDLO-GFCCVEGCSA-N 2 2 250.346 0.896 20 30 CCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641030 813094054 /nfs/dbraw/zinc/09/40/54/813094054.db2.gz ADNJCPQNLKVTPW-ZIAGYGMSSA-N 2 2 286.379 0.517 20 30 CCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641030 813094059 /nfs/dbraw/zinc/09/40/59/813094059.db2.gz ADNJCPQNLKVTPW-ZIAGYGMSSA-N 2 2 286.379 0.517 20 30 CCEDLP C#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001269074539 813205769 /nfs/dbraw/zinc/20/57/69/813205769.db2.gz CDOQALYMSAKUTR-CYBMUJFWSA-N 2 2 260.341 0.460 20 30 CCEDLP C#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001269074539 813205773 /nfs/dbraw/zinc/20/57/73/813205773.db2.gz CDOQALYMSAKUTR-CYBMUJFWSA-N 2 2 260.341 0.460 20 30 CCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001269135092 813233269 /nfs/dbraw/zinc/23/32/69/813233269.db2.gz YQZOHYOSWLMDPA-CQSZACIVSA-N 2 2 292.383 0.735 20 30 CCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001269135092 813233274 /nfs/dbraw/zinc/23/32/74/813233274.db2.gz YQZOHYOSWLMDPA-CQSZACIVSA-N 2 2 292.383 0.735 20 30 CCEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121462 814416431 /nfs/dbraw/zinc/41/64/31/814416431.db2.gz HXWMGEBSOXZHOT-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121462 814416435 /nfs/dbraw/zinc/41/64/35/814416435.db2.gz HXWMGEBSOXZHOT-KGLIPLIRSA-N 2 2 286.379 0.756 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106224309 816663477 /nfs/dbraw/zinc/66/34/77/816663477.db2.gz VNIUUZROOHVYMU-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106224309 816663483 /nfs/dbraw/zinc/66/34/83/816663483.db2.gz VNIUUZROOHVYMU-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705254 816859175 /nfs/dbraw/zinc/85/91/75/816859175.db2.gz YXOSEGUHPHHSGG-CHWSQXEVSA-N 2 2 274.368 0.660 20 30 CCEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031933224 817476240 /nfs/dbraw/zinc/47/62/40/817476240.db2.gz QFDVSUIOMZZFTB-CQSZACIVSA-N 2 2 288.395 0.988 20 30 CCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032182510 817680350 /nfs/dbraw/zinc/68/03/50/817680350.db2.gz MDFXZMPBZOODLK-LBPRGKRZSA-N 2 2 271.792 0.739 20 30 CCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032182510 817680355 /nfs/dbraw/zinc/68/03/55/817680355.db2.gz MDFXZMPBZOODLK-LBPRGKRZSA-N 2 2 271.792 0.739 20 30 CCEDLP C=CC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772452 817853534 /nfs/dbraw/zinc/85/35/34/817853534.db2.gz IVFTXBFPKZCGRP-CYBMUJFWSA-N 2 2 277.372 0.682 20 30 CCEDLP C=CC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772452 817853545 /nfs/dbraw/zinc/85/35/45/817853545.db2.gz IVFTXBFPKZCGRP-CYBMUJFWSA-N 2 2 277.372 0.682 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033415995 818763801 /nfs/dbraw/zinc/76/38/01/818763801.db2.gz LJKOMFZJTBOIBV-CHWSQXEVSA-N 2 2 286.379 0.996 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001033415995 818763804 /nfs/dbraw/zinc/76/38/04/818763804.db2.gz LJKOMFZJTBOIBV-CHWSQXEVSA-N 2 2 286.379 0.996 20 30 CCEDLP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033789960 818938036 /nfs/dbraw/zinc/93/80/36/818938036.db2.gz RQTAWCQFEWPVBJ-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033789960 818938042 /nfs/dbraw/zinc/93/80/42/818938042.db2.gz RQTAWCQFEWPVBJ-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001033789960 818938048 /nfs/dbraw/zinc/93/80/48/818938048.db2.gz RQTAWCQFEWPVBJ-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001033789960 818938053 /nfs/dbraw/zinc/93/80/53/818938053.db2.gz RQTAWCQFEWPVBJ-CABCVRRESA-N 2 2 293.411 0.263 20 30 CCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035804945 819631201 /nfs/dbraw/zinc/63/12/01/819631201.db2.gz WJNRIFKINQKFLM-UHFFFAOYSA-N 2 2 286.379 0.900 20 30 CCEDLP C#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001036194102 819703493 /nfs/dbraw/zinc/70/34/93/819703493.db2.gz OZSHZSZPMPKHAQ-YPMHNXCESA-N 2 2 260.341 0.412 20 30 CCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001036276114 819722931 /nfs/dbraw/zinc/72/29/31/819722931.db2.gz NHLIFWJMVRQMCQ-DZGCQCFKSA-N 2 2 288.395 0.813 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855815 820854807 /nfs/dbraw/zinc/85/48/07/820854807.db2.gz SFEPIIXCHMTPJK-MGPQQGTHSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855815 820854821 /nfs/dbraw/zinc/85/48/21/820854821.db2.gz SFEPIIXCHMTPJK-MGPQQGTHSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081855815 820854831 /nfs/dbraw/zinc/85/48/31/820854831.db2.gz SFEPIIXCHMTPJK-MGPQQGTHSA-N 2 2 281.400 0.472 20 30 CCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081855815 820854842 /nfs/dbraw/zinc/85/48/42/820854842.db2.gz SFEPIIXCHMTPJK-MGPQQGTHSA-N 2 2 281.400 0.472 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855399 820856509 /nfs/dbraw/zinc/85/65/09/820856509.db2.gz CIUTUIJFKFKEJR-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081855399 820856521 /nfs/dbraw/zinc/85/65/21/820856521.db2.gz CIUTUIJFKFKEJR-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081855399 820856538 /nfs/dbraw/zinc/85/65/38/820856538.db2.gz CIUTUIJFKFKEJR-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081855399 820856545 /nfs/dbraw/zinc/85/65/45/820856545.db2.gz CIUTUIJFKFKEJR-RBSFLKMASA-N 2 2 293.411 0.309 20 30 CCEDLP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083023628 821113796 /nfs/dbraw/zinc/11/37/96/821113796.db2.gz JAVDYWNOFHYXNI-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083023628 821113804 /nfs/dbraw/zinc/11/38/04/821113804.db2.gz JAVDYWNOFHYXNI-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023628 821113811 /nfs/dbraw/zinc/11/38/11/821113811.db2.gz JAVDYWNOFHYXNI-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083023628 821113816 /nfs/dbraw/zinc/11/38/16/821113816.db2.gz JAVDYWNOFHYXNI-QLFBSQMISA-N 2 2 293.411 0.568 20 30 CCEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001084250364 821238183 /nfs/dbraw/zinc/23/81/83/821238183.db2.gz CQQUWLKARAFFLZ-MCIONIFRSA-N 2 2 279.384 0.036 20 30 CCEDLP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001084250364 821238191 /nfs/dbraw/zinc/23/81/91/821238191.db2.gz CQQUWLKARAFFLZ-MCIONIFRSA-N 2 2 279.384 0.036 20 30 CCEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084250364 821238197 /nfs/dbraw/zinc/23/81/97/821238197.db2.gz CQQUWLKARAFFLZ-MCIONIFRSA-N 2 2 279.384 0.036 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001084250364 821238203 /nfs/dbraw/zinc/23/82/03/821238203.db2.gz CQQUWLKARAFFLZ-MCIONIFRSA-N 2 2 279.384 0.036 20 30 CCEDLP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001085345335 821665295 /nfs/dbraw/zinc/66/52/95/821665295.db2.gz SVDDXARSFBGGPL-CHWSQXEVSA-N 2 2 260.341 0.602 20 30 CCEDLP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531060 821771877 /nfs/dbraw/zinc/77/18/77/821771877.db2.gz LSHUAIKQIADBKF-UONOGXRCSA-N 2 2 281.400 0.426 20 30 CCEDLP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531060 821771881 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CCEDLP C=C(C[NH+]1CCCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001183080687 843960645 /nfs/dbraw/zinc/96/06/45/843960645.db2.gz WYQHQBVGNPOFMT-ZDUSSCGKSA-N 2 2 267.373 0.085 20 30 CCEDLP C=C(C[NH+]1CCCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001183080687 843960650 /nfs/dbraw/zinc/96/06/50/843960650.db2.gz WYQHQBVGNPOFMT-ZDUSSCGKSA-N 2 2 267.373 0.085 20 30 CCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368561 844874265 /nfs/dbraw/zinc/87/42/65/844874265.db2.gz AJVMENAMAYWASP-CYBMUJFWSA-N 2 2 278.356 0.276 20 30 CCEDLP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203815910 846621804 /nfs/dbraw/zinc/62/18/04/846621804.db2.gz RXEARXYSCUUKEC-ZIAGYGMSSA-N 2 2 286.379 0.923 20 30 CCEDLP C#CCC[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200292758 847599334 /nfs/dbraw/zinc/59/93/34/847599334.db2.gz VLYJBAHNFLJACE-UHFFFAOYSA-N 2 2 274.368 0.946 20 30 CCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201104826 847722347 /nfs/dbraw/zinc/72/23/47/847722347.db2.gz UUWCYQGUKIAGKX-AWEZNQCLSA-N 2 2 292.383 0.666 20 30 CCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201484733 847782831 /nfs/dbraw/zinc/78/28/31/847782831.db2.gz ZOPRPIOIAOUWNW-CQSZACIVSA-N 2 2 290.367 0.183 20 30 CCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726675 847807706 /nfs/dbraw/zinc/80/77/06/847807706.db2.gz LUZWZYSDHIDYJG-ZDUSSCGKSA-N 2 2 292.383 0.735 20 30 CCEDLP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001275208557 848666718 /nfs/dbraw/zinc/66/67/18/848666718.db2.gz JQROVNHXJBNVJP-QWHCGFSZSA-N 2 2 274.368 0.563 20 30 CCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114602688 849302865 /nfs/dbraw/zinc/30/28/65/849302865.db2.gz NZPZRPSAYZQUDP-JYAVWHMHSA-N 2 2 274.368 0.585 20 30 CCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114602688 849302877 /nfs/dbraw/zinc/30/28/77/849302877.db2.gz NZPZRPSAYZQUDP-JYAVWHMHSA-N 2 2 274.368 0.585 20 30 CCEDLP 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CCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001053190385 852706922 /nfs/dbraw/zinc/70/69/22/852706922.db2.gz SRZICITTWIATBJ-AWEZNQCLSA-N 2 2 293.411 0.570 20 30 CCEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054247716 852896208 /nfs/dbraw/zinc/89/62/08/852896208.db2.gz ANHSGRYRJJDZLS-MRXNPFEDSA-N 2 2 286.379 0.831 20 30 CCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001054247716 852896214 /nfs/dbraw/zinc/89/62/14/852896214.db2.gz ANHSGRYRJJDZLS-MRXNPFEDSA-N 2 2 286.379 0.831 20 30 CCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099927411 855034670 /nfs/dbraw/zinc/03/46/70/855034670.db2.gz BGHKEXGBJCMPOP-OLZOCXBDSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099927411 855034676 /nfs/dbraw/zinc/03/46/76/855034676.db2.gz BGHKEXGBJCMPOP-OLZOCXBDSA-N 2 2 292.383 0.090 20 30 CCEDLP C=CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514934 855441990 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C=CCC[NH+]1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481627930 892928982 /nfs/dbraw/zinc/92/89/82/892928982.db2.gz ALYOURKEHWAOOK-UHFFFAOYSA-N 2 2 262.357 0.966 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001484976003 896693374 /nfs/dbraw/zinc/69/33/74/896693374.db2.gz AZAXHTDMGYHNHC-CHWSQXEVSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001484976003 896693385 /nfs/dbraw/zinc/69/33/85/896693385.db2.gz AZAXHTDMGYHNHC-CHWSQXEVSA-N 2 2 274.368 0.945 20 30 CCEDLP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001485218360 896858395 /nfs/dbraw/zinc/85/83/95/896858395.db2.gz YBKUGPAAWAWMPX-RYUDHWBXSA-N 2 2 262.357 0.469 20 30 CCEDLP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485316894 896942391 /nfs/dbraw/zinc/94/23/91/896942391.db2.gz ILCGAJJEHMEFID-YNEHKIRRSA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485316894 896942405 /nfs/dbraw/zinc/94/24/05/896942405.db2.gz ILCGAJJEHMEFID-YNEHKIRRSA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485316894 896942418 /nfs/dbraw/zinc/94/24/18/896942418.db2.gz ILCGAJJEHMEFID-YNEHKIRRSA-N 2 2 274.368 0.973 20 30 CCEDLP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485316894 896942437 /nfs/dbraw/zinc/94/24/37/896942437.db2.gz ILCGAJJEHMEFID-YNEHKIRRSA-N 2 2 274.368 0.973 20 30 CCEDLP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485321643 896944442 /nfs/dbraw/zinc/94/44/42/896944442.db2.gz ZPNQJRZKPPLMNX-STQMWFEESA-N 2 2 274.368 0.515 20 30 CCEDLP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485321643 896944451 /nfs/dbraw/zinc/94/44/51/896944451.db2.gz ZPNQJRZKPPLMNX-STQMWFEESA-N 2 2 274.368 0.515 20 30 CCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032459714 897590929 /nfs/dbraw/zinc/59/09/29/897590929.db2.gz KKDLGJGUTZKNEL-KKUMJFAQSA-N 2 2 277.412 0.881 20 30 CCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001032459714 897590942 /nfs/dbraw/zinc/59/09/42/897590942.db2.gz KKDLGJGUTZKNEL-KKUMJFAQSA-N 2 2 277.412 0.881 20 30 CCEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001032482635 897630533 /nfs/dbraw/zinc/63/05/33/897630533.db2.gz GVULMXBGCCSETI-KBMXLJTQSA-N 2 2 298.390 0.754 20 30 CCEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001032482635 897630543 /nfs/dbraw/zinc/63/05/43/897630543.db2.gz GVULMXBGCCSETI-KBMXLJTQSA-N 2 2 298.390 0.754 20 30 CCEDLP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001486133390 898680380 /nfs/dbraw/zinc/68/03/80/898680380.db2.gz BSJLUUPLEYYMHV-CHWSQXEVSA-N 2 2 260.341 0.485 20 30 CCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001486337079 898801576 /nfs/dbraw/zinc/80/15/76/898801576.db2.gz QEIMDDSLFSLWJC-AWEZNQCLSA-N 2 2 292.383 0.117 20 30 CCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001486337079 898801593 /nfs/dbraw/zinc/80/15/93/898801593.db2.gz QEIMDDSLFSLWJC-AWEZNQCLSA-N 2 2 292.383 0.117 20 30 CCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001486337079 898801611 /nfs/dbraw/zinc/80/16/11/898801611.db2.gz QEIMDDSLFSLWJC-AWEZNQCLSA-N 2 2 292.383 0.117 20 30 CCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001486337079 898801628 /nfs/dbraw/zinc/80/16/28/898801628.db2.gz QEIMDDSLFSLWJC-AWEZNQCLSA-N 2 2 292.383 0.117 20 30 CCEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001327407008 914524863 /nfs/dbraw/zinc/52/48/63/914524863.db2.gz NHMJSSAWVVLRCA-CQSZACIVSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001495850100 907412864 /nfs/dbraw/zinc/41/28/64/907412864.db2.gz NNIRCLJVOZZTIN-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001495850100 907412872 /nfs/dbraw/zinc/41/28/72/907412872.db2.gz NNIRCLJVOZZTIN-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001495850100 907412881 /nfs/dbraw/zinc/41/28/81/907412881.db2.gz NNIRCLJVOZZTIN-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001495850100 907412895 /nfs/dbraw/zinc/41/28/95/907412895.db2.gz NNIRCLJVOZZTIN-OAHLLOKOSA-N 2 2 295.427 0.864 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001317413185 908208231 /nfs/dbraw/zinc/20/82/31/908208231.db2.gz UHMGLHQUZHXJCS-LBPRGKRZSA-N 2 2 262.357 0.470 20 30 CCEDLP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317265114 909102052 /nfs/dbraw/zinc/10/20/52/909102052.db2.gz PFBACPSPFNCWIY-IJLUTSLNSA-N 2 2 262.357 0.804 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317300946 909128504 /nfs/dbraw/zinc/12/85/04/909128504.db2.gz LZEVEQYJLPULDB-YNEHKIRRSA-N 2 2 272.352 0.727 20 30 CCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317300946 909128507 /nfs/dbraw/zinc/12/85/07/909128507.db2.gz LZEVEQYJLPULDB-YNEHKIRRSA-N 2 2 272.352 0.727 20 30 CCEDLP C#CCC[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001317413282 909184700 /nfs/dbraw/zinc/18/47/00/909184700.db2.gz WXTHHGAGMKOLMQ-NSHDSACASA-N 2 2 262.357 0.768 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001321628554 911410103 /nfs/dbraw/zinc/41/01/03/911410103.db2.gz YWDSNHJOIMYJPY-HIFRSBDPSA-N 2 2 293.411 0.357 20 30 CCEDLP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001321628554 911410112 /nfs/dbraw/zinc/41/01/12/911410112.db2.gz YWDSNHJOIMYJPY-HIFRSBDPSA-N 2 2 293.411 0.357 20 30 CCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001328266414 915067181 /nfs/dbraw/zinc/06/71/81/915067181.db2.gz IULFLZGUSUIVEZ-UONOGXRCSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001328266414 915067195 /nfs/dbraw/zinc/06/71/95/915067195.db2.gz IULFLZGUSUIVEZ-UONOGXRCSA-N 2 2 274.368 0.876 20 30 CCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001330072721 916398830 /nfs/dbraw/zinc/39/88/30/916398830.db2.gz WEEYYMVGVKTZLA-LLVKDONJSA-N 2 2 260.341 0.032 20 30 CCEDLP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001330428215 916623818 /nfs/dbraw/zinc/62/38/18/916623818.db2.gz VODUWHHAFFXVIB-OLZOCXBDSA-N 2 2 292.383 0.734 20 30 CCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001331468556 917355815 /nfs/dbraw/zinc/35/58/15/917355815.db2.gz CQHKMIDEJVQZGN-CYBMUJFWSA-N 2 2 292.383 0.429 20 30 CCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001331468556 917355839 /nfs/dbraw/zinc/35/58/39/917355839.db2.gz CQHKMIDEJVQZGN-CYBMUJFWSA-N 2 2 292.383 0.429 20 30 CCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001331473586 917357488 /nfs/dbraw/zinc/35/74/88/917357488.db2.gz GWAUPANGMMSXBN-QJPTWQEYSA-N 2 2 260.341 0.583 20 30 CCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001331473586 917357505 /nfs/dbraw/zinc/35/75/05/917357505.db2.gz GWAUPANGMMSXBN-QJPTWQEYSA-N 2 2 260.341 0.583 20 30 CCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC001335456874 920207512 /nfs/dbraw/zinc/20/75/12/920207512.db2.gz IIGDOKFUSQIGRL-NSHDSACASA-N 2 2 264.291 0.987 20 30 CCEDLP C#CC[NH2+]CC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC001340790822 922221897 /nfs/dbraw/zinc/22/18/97/922221897.db2.gz QBIVEWOLIZOVTF-OAHLLOKOSA-N 2 2 295.427 0.462 20 30 CCEDLP C#CC[N@@H+](CC[C@H](C)O)C1CC[NH+](CC[C@@H](C)O)CC1 ZINC001352935494 925676726 /nfs/dbraw/zinc/67/67/26/925676726.db2.gz OCHJCOCDDKHEEG-CABCVRRESA-N 2 2 282.428 0.928 20 30 CCEDLP C#CC[N@H+](CC[C@H](C)O)C1CC[NH+](CC[C@@H](C)O)CC1 ZINC001352935494 925676730 /nfs/dbraw/zinc/67/67/30/925676730.db2.gz OCHJCOCDDKHEEG-CABCVRRESA-N 2 2 282.428 0.928 20 30 CCEDLP C#CCN1CCC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001353323819 925798098 /nfs/dbraw/zinc/79/80/98/925798098.db2.gz OGBYOQDYYLTHFH-OAHLLOKOSA-N 2 2 265.401 0.129 20 30 CCEDLP C#CCN1CCC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC001353323819 925798103 /nfs/dbraw/zinc/79/81/03/925798103.db2.gz OGBYOQDYYLTHFH-OAHLLOKOSA-N 2 2 265.401 0.129 20 30 CCEDLP N#CC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCCC1 ZINC001358110888 926640215 /nfs/dbraw/zinc/64/02/15/926640215.db2.gz BJMSHEXTNBWRHK-UHFFFAOYSA-N 2 2 264.373 0.610 20 30 CCEDLP