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+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000354100153 522629686 /nfs/dbraw/zinc/62/96/86/522629686.db2.gz JVJKWPCNORNVKJ-MRXNPFEDSA-N 2 2 283.419 2.722 20 30 CFEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000354100153 522629696 /nfs/dbraw/zinc/62/96/96/522629696.db2.gz JVJKWPCNORNVKJ-MRXNPFEDSA-N 2 2 283.419 2.722 20 30 CFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000354100153 522629704 /nfs/dbraw/zinc/62/97/04/522629704.db2.gz JVJKWPCNORNVKJ-MRXNPFEDSA-N 2 2 283.419 2.722 20 30 CFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000354100153 522629710 /nfs/dbraw/zinc/62/97/10/522629710.db2.gz JVJKWPCNORNVKJ-MRXNPFEDSA-N 2 2 283.419 2.722 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)c(F)c3)CC[C@@H]21 ZINC000192075699 523856941 /nfs/dbraw/zinc/85/69/41/523856941.db2.gz ZEBLKERRCLHFJI-RDJZCZTQSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)c(F)c3)CC[C@@H]21 ZINC000192075699 523856945 /nfs/dbraw/zinc/85/69/45/523856945.db2.gz ZEBLKERRCLHFJI-RDJZCZTQSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)CC[C@@H]21 ZINC000192075699 523856948 /nfs/dbraw/zinc/85/69/48/523856948.db2.gz ZEBLKERRCLHFJI-RDJZCZTQSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CC[C@@H]21 ZINC000192075699 523856951 /nfs/dbraw/zinc/85/69/51/523856951.db2.gz ZEBLKERRCLHFJI-RDJZCZTQSA-N 2 2 287.382 2.613 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000334877517 524293919 /nfs/dbraw/zinc/29/39/19/524293919.db2.gz VXZBXLLMTUSICY-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000334877517 524293921 /nfs/dbraw/zinc/29/39/21/524293921.db2.gz VXZBXLLMTUSICY-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000334877515 524513959 /nfs/dbraw/zinc/51/39/59/524513959.db2.gz VXZBXLLMTUSICY-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000334877515 524513967 /nfs/dbraw/zinc/51/39/67/524513967.db2.gz VXZBXLLMTUSICY-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(CC)nc2)CC1 ZINC000352747137 526603744 /nfs/dbraw/zinc/60/37/44/526603744.db2.gz DAKPWYBJRFPBKJ-UHFFFAOYSA-N 2 2 273.424 2.774 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2csc(CC)n2)CC1 ZINC000106244930 526604150 /nfs/dbraw/zinc/60/41/50/526604150.db2.gz SKFROQSUPYNSJI-UHFFFAOYSA-N 2 2 279.453 2.836 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2sccc2OC)CC1 ZINC000344270974 526605054 /nfs/dbraw/zinc/60/50/54/526605054.db2.gz UCYOQIXOSQODRV-UHFFFAOYSA-N 2 2 280.437 2.887 20 30 CFEDLP N#Cc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336380076 526734804 /nfs/dbraw/zinc/73/48/04/526734804.db2.gz FJMMVPHTYYNFDY-UHFFFAOYSA-N 2 2 266.348 2.661 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccco1 ZINC000356061799 527486017 /nfs/dbraw/zinc/48/60/17/527486017.db2.gz CSBBEQPZGWGFKK-HOTGVXAUSA-N 2 2 292.423 2.987 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccco1 ZINC000356061799 527486023 /nfs/dbraw/zinc/48/60/23/527486023.db2.gz CSBBEQPZGWGFKK-HOTGVXAUSA-N 2 2 292.423 2.987 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCO1)C(C)C ZINC000346448124 527651644 /nfs/dbraw/zinc/65/16/44/527651644.db2.gz BESBEHPDRDHMGB-ZACQAIPSSA-N 2 2 280.456 2.842 20 30 CFEDLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330298330 528726472 /nfs/dbraw/zinc/72/64/72/528726472.db2.gz HHUQCPVIBKBALO-AWEZNQCLSA-N 2 2 290.411 2.622 20 30 CFEDLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330298330 528726474 /nfs/dbraw/zinc/72/64/74/528726474.db2.gz HHUQCPVIBKBALO-AWEZNQCLSA-N 2 2 290.411 2.622 20 30 CFEDLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423300215 528956017 /nfs/dbraw/zinc/95/60/17/528956017.db2.gz RFJZXSBYFSLPLX-SMDDNHRTSA-N 2 2 263.360 2.865 20 30 CFEDLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cc(C#N)cs1 ZINC000933773512 617775960 /nfs/dbraw/zinc/77/59/60/617775960.db2.gz NPMKHSPRIYECQA-CYBMUJFWSA-N 2 2 263.410 2.536 20 30 CFEDLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cc(C#N)cs1 ZINC000933773512 617775964 /nfs/dbraw/zinc/77/59/64/617775964.db2.gz NPMKHSPRIYECQA-CYBMUJFWSA-N 2 2 263.410 2.536 20 30 CFEDLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cc(C#N)cs1 ZINC000933773512 617775966 /nfs/dbraw/zinc/77/59/66/617775966.db2.gz NPMKHSPRIYECQA-CYBMUJFWSA-N 2 2 263.410 2.536 20 30 CFEDLP C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cc(C#N)cs1 ZINC000933773512 617775967 /nfs/dbraw/zinc/77/59/67/617775967.db2.gz NPMKHSPRIYECQA-CYBMUJFWSA-N 2 2 263.410 2.536 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(C#N)c3)CC[C@H]21 ZINC000892228636 618015360 /nfs/dbraw/zinc/01/53/60/618015360.db2.gz POTDFJYOYUKWMD-UKRRQHHQSA-N 2 2 275.421 2.536 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(C#N)c3)CC[C@H]21 ZINC000892228636 618015364 /nfs/dbraw/zinc/01/53/64/618015364.db2.gz POTDFJYOYUKWMD-UKRRQHHQSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(C#N)c3)CC[C@H]21 ZINC000892228636 618015368 /nfs/dbraw/zinc/01/53/68/618015368.db2.gz POTDFJYOYUKWMD-UKRRQHHQSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(C#N)c3)CC[C@H]21 ZINC000892228636 618015374 /nfs/dbraw/zinc/01/53/74/618015374.db2.gz POTDFJYOYUKWMD-UKRRQHHQSA-N 2 2 275.421 2.536 20 30 CFEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000895378205 618557444 /nfs/dbraw/zinc/55/74/44/618557444.db2.gz QNOQEMNMGFUFAZ-BBRMVZONSA-N 2 2 275.396 2.703 20 30 CFEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000895378205 618557448 /nfs/dbraw/zinc/55/74/48/618557448.db2.gz QNOQEMNMGFUFAZ-BBRMVZONSA-N 2 2 275.396 2.703 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000892552365 618629808 /nfs/dbraw/zinc/62/98/08/618629808.db2.gz VQPCEVNUCOTAGN-GOSISDBHSA-N 3 2 293.499 2.616 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CSCCC)CC1 ZINC000892881365 618762699 /nfs/dbraw/zinc/76/26/99/618762699.db2.gz VGOJRMHDSDWQEQ-CYBMUJFWSA-N 2 2 256.459 2.758 20 30 CFEDLP CC[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000925773178 619089028 /nfs/dbraw/zinc/08/90/28/619089028.db2.gz MFHCDQKBOVHWMQ-GJZGRUSLSA-N 2 2 289.448 2.900 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(C#N)cc1F ZINC000925784312 619109039 /nfs/dbraw/zinc/10/90/39/619109039.db2.gz QQRHTEJCCVPWGY-ZYHUDNBSSA-N 2 2 297.324 2.593 20 30 CFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCC(C)C)c1ccco1 ZINC000303890429 619981822 /nfs/dbraw/zinc/98/18/22/619981822.db2.gz QCZZLOQBVBKKFV-AWEZNQCLSA-N 2 2 294.443 2.613 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000924672188 620437499 /nfs/dbraw/zinc/43/74/99/620437499.db2.gz JOXUKLCBONWBEH-ZIAGYGMSSA-N 2 2 251.418 2.779 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000924672188 620437502 /nfs/dbraw/zinc/43/75/02/620437502.db2.gz JOXUKLCBONWBEH-ZIAGYGMSSA-N 2 2 251.418 2.779 20 30 CFEDLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000902446643 621089277 /nfs/dbraw/zinc/08/92/77/621089277.db2.gz UUUKPIZVQPTPDR-IAGOWNOFSA-N 2 2 283.419 2.913 20 30 CFEDLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000902742782 621163274 /nfs/dbraw/zinc/16/32/74/621163274.db2.gz YBXVNJKVPMVIRV-CZUORRHYSA-N 2 2 268.364 2.884 20 30 CFEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(C#N)ccn1 ZINC000902777124 621171049 /nfs/dbraw/zinc/17/10/49/621171049.db2.gz RPVNAYNADSAHSM-CYBMUJFWSA-N 2 2 284.407 2.621 20 30 CFEDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903455345 621388174 /nfs/dbraw/zinc/38/81/74/621388174.db2.gz UZFBTQVIMZIJKR-ZDUSSCGKSA-N 2 2 265.788 2.675 20 30 CFEDLP N#CC1(CCCC[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CCC1 ZINC000903761498 621436224 /nfs/dbraw/zinc/43/62/24/621436224.db2.gz UWPHKPHNYNHMAT-INIZCTEOSA-N 2 2 261.413 2.678 20 30 CFEDLP N#CC1(CCCC[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CCC1 ZINC000903761498 621436225 /nfs/dbraw/zinc/43/62/25/621436225.db2.gz UWPHKPHNYNHMAT-INIZCTEOSA-N 2 2 261.413 2.678 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805492 621445876 /nfs/dbraw/zinc/44/58/76/621445876.db2.gz PARXJVASIUMZRG-SJLPKXTDSA-N 2 2 283.419 2.878 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903805492 621445878 /nfs/dbraw/zinc/44/58/78/621445878.db2.gz PARXJVASIUMZRG-SJLPKXTDSA-N 2 2 283.419 2.878 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870277 621461791 /nfs/dbraw/zinc/46/17/91/621461791.db2.gz MAJYFVUMGBOUKR-KRWDZBQOSA-N 2 2 269.392 2.503 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870277 621461793 /nfs/dbraw/zinc/46/17/93/621461793.db2.gz MAJYFVUMGBOUKR-KRWDZBQOSA-N 2 2 269.392 2.503 20 30 CFEDLP C#CCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000923000454 626440809 /nfs/dbraw/zinc/44/08/09/626440809.db2.gz KCOKHPVFLDUICU-UHFFFAOYSA-N 2 2 265.360 2.908 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766276021 627190117 /nfs/dbraw/zinc/19/01/17/627190117.db2.gz ZYFDBYCNFIMYIG-JKSUJKDBSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766276021 627190118 /nfs/dbraw/zinc/19/01/18/627190118.db2.gz ZYFDBYCNFIMYIG-JKSUJKDBSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575680 633294693 /nfs/dbraw/zinc/29/46/93/633294693.db2.gz VCPHZNDHMHFUEZ-MOPGFXCFSA-N 2 2 298.430 2.805 20 30 CFEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575680 633294695 /nfs/dbraw/zinc/29/46/95/633294695.db2.gz VCPHZNDHMHFUEZ-MOPGFXCFSA-N 2 2 298.430 2.805 20 30 CFEDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CC1(C)C ZINC000858147320 636139463 /nfs/dbraw/zinc/13/94/63/636139463.db2.gz LAPQXDZIPAOJGE-CQSZACIVSA-N 2 2 275.371 2.660 20 30 CFEDLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CC1(C)C ZINC000858147320 636139467 /nfs/dbraw/zinc/13/94/67/636139467.db2.gz LAPQXDZIPAOJGE-CQSZACIVSA-N 2 2 275.371 2.660 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OCC#N)cc1 ZINC000863543297 637690227 /nfs/dbraw/zinc/69/02/27/637690227.db2.gz XWOOXCDXVVIZEC-BBRMVZONSA-N 2 2 285.391 2.524 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1O ZINC000866236356 638776663 /nfs/dbraw/zinc/77/66/63/638776663.db2.gz DCXJHYZKGMKDCH-NWANDNLSSA-N 2 2 285.391 2.541 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1O ZINC000866236356 638776664 /nfs/dbraw/zinc/77/66/64/638776664.db2.gz DCXJHYZKGMKDCH-NWANDNLSSA-N 2 2 285.391 2.541 20 30 CFEDLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C#N)c1O ZINC000866352432 638802501 /nfs/dbraw/zinc/80/25/01/638802501.db2.gz WQJHLYICEGPFKP-IUDNXUCKSA-N 2 2 299.418 2.931 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873228516 642079745 /nfs/dbraw/zinc/07/97/45/642079745.db2.gz FIRLCAINDFYNBT-SJORKVTESA-N 2 2 272.392 2.626 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873228510 642080578 /nfs/dbraw/zinc/08/05/78/642080578.db2.gz FIRLCAINDFYNBT-DLBZAZTESA-N 2 2 272.392 2.626 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccc(C#N)cc1 ZINC000873236710 642087698 /nfs/dbraw/zinc/08/76/98/642087698.db2.gz IWPCGVOUXDDFAC-XJKSGUPXSA-N 2 2 271.408 2.987 20 30 CFEDLP CCC1([NH+]2CCCCC2)CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000880255761 644615137 /nfs/dbraw/zinc/61/51/37/644615137.db2.gz XOSYUFQPFAAOAP-MRXNPFEDSA-N 2 2 293.455 2.646 20 30 CFEDLP Cc1ccc([C@H](CNC(=[NH2+])NCCC(C)C)[NH+](C)C)cc1 ZINC000303881076 651005827 /nfs/dbraw/zinc/00/58/27/651005827.db2.gz KPJQHORSANSFOT-INIZCTEOSA-N 2 2 290.455 2.548 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000883185918 645647711 /nfs/dbraw/zinc/64/77/11/645647711.db2.gz GVCYKOJFWABDAW-KBMXLJTQSA-N 2 2 266.429 2.573 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000883185918 645647717 /nfs/dbraw/zinc/64/77/17/645647717.db2.gz GVCYKOJFWABDAW-KBMXLJTQSA-N 2 2 266.429 2.573 20 30 CFEDLP CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CC[N@H+]2CC)c(O)c1 ZINC000887270526 647256674 /nfs/dbraw/zinc/25/66/74/647256674.db2.gz PCIZSIMOUKKLQB-JIHKLPAASA-N 2 2 289.423 2.752 20 30 CFEDLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000925620448 648243679 /nfs/dbraw/zinc/24/36/79/648243679.db2.gz GSFXUTMNTPLDHE-XJKSGUPXSA-N 2 2 289.448 2.522 20 30 CFEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925620726 648243951 /nfs/dbraw/zinc/24/39/51/648243951.db2.gz XWHCXLVKASUQIV-RDJZCZTQSA-N 2 2 299.418 2.742 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(C#N)c1O ZINC000926474030 648501066 /nfs/dbraw/zinc/50/10/66/648501066.db2.gz NISTZGHYCRKQMP-SWLSCSKDSA-N 2 2 275.396 2.502 20 30 CFEDLP N#Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926681234 648573054 /nfs/dbraw/zinc/57/30/54/648573054.db2.gz XAJPIMYRAONMJI-QZTJIDSGSA-N 2 2 283.419 2.707 20 30 CFEDLP N#Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926681234 648573060 /nfs/dbraw/zinc/57/30/60/648573060.db2.gz XAJPIMYRAONMJI-QZTJIDSGSA-N 2 2 283.419 2.707 20 30 CFEDLP CCO[C@H](C[NH2+][C@H](CC)c1ccc(C#N)cc1)C[NH+](C)C ZINC000926958223 648671005 /nfs/dbraw/zinc/67/10/05/648671005.db2.gz FDFVUEFFEKKZNW-IAGOWNOFSA-N 2 2 289.423 2.566 20 30 CFEDLP Cc1cc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1C#N ZINC000931315301 649406320 /nfs/dbraw/zinc/40/63/20/649406320.db2.gz WGRRWOFVZRDFBH-ROUUACIJSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931718550 649477833 /nfs/dbraw/zinc/47/78/33/649477833.db2.gz BAAKPGCXWWXLLO-DLBZAZTESA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931718550 649477834 /nfs/dbraw/zinc/47/78/34/649477834.db2.gz BAAKPGCXWWXLLO-DLBZAZTESA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931718550 649477836 /nfs/dbraw/zinc/47/78/36/649477836.db2.gz BAAKPGCXWWXLLO-DLBZAZTESA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931718550 649477837 /nfs/dbraw/zinc/47/78/37/649477837.db2.gz BAAKPGCXWWXLLO-DLBZAZTESA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(C#N)CC1 ZINC001140022253 770020103 /nfs/dbraw/zinc/02/01/03/770020103.db2.gz CDJLCUXJQZAJKT-UHFFFAOYSA-N 2 2 280.375 2.916 20 30 CFEDLP CCCCCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001204957513 777037337 /nfs/dbraw/zinc/03/73/37/777037337.db2.gz RSIZZERNQMRTLB-HZPDHXFCSA-N 2 2 270.461 2.911 20 30 CFEDLP CCCCCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001204957513 777037344 /nfs/dbraw/zinc/03/73/44/777037344.db2.gz RSIZZERNQMRTLB-HZPDHXFCSA-N 2 2 270.461 2.911 20 30 CFEDLP C#Cc1cccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c1 ZINC001231661145 777298434 /nfs/dbraw/zinc/29/84/34/777298434.db2.gz OUMFLJLBESNKIY-UHFFFAOYSA-N 2 2 268.404 2.727 20 30 CFEDLP C#Cc1cccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c1 ZINC001231661145 777298442 /nfs/dbraw/zinc/29/84/42/777298442.db2.gz OUMFLJLBESNKIY-UHFFFAOYSA-N 2 2 268.404 2.727 20 30 CFEDLP C#Cc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001231661962 777299432 /nfs/dbraw/zinc/29/94/32/777299432.db2.gz BCQICFKDVZYTCK-UHFFFAOYSA-N 2 2 265.360 2.702 20 30 CFEDLP CCCCCCCC[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001235129988 778393925 /nfs/dbraw/zinc/39/39/25/778393925.db2.gz TXZVDVGXODBIEM-UHFFFAOYSA-N 2 2 268.445 2.801 20 30 CFEDLP CCCCCCCC[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001235129988 778393930 /nfs/dbraw/zinc/39/39/30/778393930.db2.gz TXZVDVGXODBIEM-UHFFFAOYSA-N 2 2 268.445 2.801 20 30 CFEDLP C#CCOc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235167948 778401321 /nfs/dbraw/zinc/40/13/21/778401321.db2.gz OWZYLJSLONZBJZ-IBGZPJMESA-N 2 2 298.430 2.807 20 30 CFEDLP C#CCOc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235167948 778401326 /nfs/dbraw/zinc/40/13/26/778401326.db2.gz OWZYLJSLONZBJZ-IBGZPJMESA-N 2 2 298.430 2.807 20 30 CFEDLP N#Cc1ccc(C2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236182019 778728793 /nfs/dbraw/zinc/72/87/93/778728793.db2.gz MPZASLADLUXKBH-GOSISDBHSA-N 2 2 283.419 2.880 20 30 CFEDLP CC(C)C[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236472984 778839842 /nfs/dbraw/zinc/83/98/42/778839842.db2.gz GAHUCBXQPDRFDV-MRXNPFEDSA-N 2 2 289.398 2.907 20 30 CFEDLP CC(C)C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236472984 778839853 /nfs/dbraw/zinc/83/98/53/778839853.db2.gz GAHUCBXQPDRFDV-MRXNPFEDSA-N 2 2 289.398 2.907 20 30 CFEDLP CC(C)[C@@H](C#N)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1 ZINC001168740952 780593115 /nfs/dbraw/zinc/59/31/15/780593115.db2.gz SUKJSDMXSNAGFX-MRXNPFEDSA-N 2 2 299.422 2.544 20 30 CFEDLP CN(C)/C=[NH+]/c1ccc(-c2ccc(C[NH3+])cc2)cc1C#N ZINC001241915218 781179081 /nfs/dbraw/zinc/17/90/81/781179081.db2.gz STOUVJCUQOAIQE-UDWIEESQSA-N 2 2 278.359 2.905 20 30 CFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000709975089 781324261 /nfs/dbraw/zinc/32/42/61/781324261.db2.gz HMIRLEUAVRSRLV-ZIAGYGMSSA-N 2 2 251.418 2.779 20 30 CFEDLP N#Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242584796 781618046 /nfs/dbraw/zinc/61/80/46/781618046.db2.gz TZXCVVJBNSCHOY-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242584796 781618049 /nfs/dbraw/zinc/61/80/49/781618049.db2.gz TZXCVVJBNSCHOY-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(C#N)c1 ZINC001242592209 781625309 /nfs/dbraw/zinc/62/53/09/781625309.db2.gz UJUSHNXPXDIWDX-UHFFFAOYSA-N 2 2 288.354 2.868 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594522476 349441908 /nfs/dbraw/zinc/44/19/08/349441908.db2.gz YKROZSBZKXEEKL-SJORKVTESA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594522476 349441913 /nfs/dbraw/zinc/44/19/13/349441913.db2.gz YKROZSBZKXEEKL-SJORKVTESA-N 2 2 269.392 2.665 20 30 CFEDLP C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000594584817 349452450 /nfs/dbraw/zinc/45/24/50/349452450.db2.gz LKOBNJDEAUNEIU-BBRMVZONSA-N 2 2 269.392 2.668 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000594964015 349532467 /nfs/dbraw/zinc/53/24/67/349532467.db2.gz NNYVVNZJFJWHDW-OAHLLOKOSA-N 2 2 257.381 2.521 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000594964015 349532471 /nfs/dbraw/zinc/53/24/71/349532471.db2.gz NNYVVNZJFJWHDW-OAHLLOKOSA-N 2 2 257.381 2.521 20 30 CFEDLP CN(C)c1cc[nH+]cc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981268 349538024 /nfs/dbraw/zinc/53/80/24/349538024.db2.gz MTFMUGOVONWHHI-UHFFFAOYSA-N 2 2 272.396 2.711 20 30 CFEDLP CCC[NH+]1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000595097104 349580455 /nfs/dbraw/zinc/58/04/55/349580455.db2.gz HRKGQXWWROHUCR-UHFFFAOYSA-N 2 2 263.429 2.924 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000151143003 347960127 /nfs/dbraw/zinc/96/01/27/347960127.db2.gz LKBXCTFXNLCZEN-WBMJQRKESA-N 2 2 275.371 2.517 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000151143003 347960128 /nfs/dbraw/zinc/96/01/28/347960128.db2.gz LKBXCTFXNLCZEN-WBMJQRKESA-N 2 2 275.371 2.517 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000093067363 539684720 /nfs/dbraw/zinc/68/47/20/539684720.db2.gz VUXHEXAELNLHJK-UHFFFAOYSA-N 2 2 291.464 2.762 20 30 CFEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591578273 349031990 /nfs/dbraw/zinc/03/19/90/349031990.db2.gz KACPDZOGBLKTLK-OAUYIBNBSA-N 2 2 269.392 2.523 20 30 CFEDLP C[C@@H]([NH2+]Cc1ccncc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000592098992 349082333 /nfs/dbraw/zinc/08/23/33/349082333.db2.gz IVIVNWHJYQCXFZ-GDBMZVCRSA-N 2 2 298.434 2.696 20 30 CFEDLP C[C@@H]([NH2+]Cc1ccncc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000592098992 349082334 /nfs/dbraw/zinc/08/23/34/349082334.db2.gz IVIVNWHJYQCXFZ-GDBMZVCRSA-N 2 2 298.434 2.696 20 30 CFEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077687 350024560 /nfs/dbraw/zinc/02/45/60/350024560.db2.gz WVVINCOCRTXBGB-AEFFLSMTSA-N 2 2 295.430 2.768 20 30 CFEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077687 350024565 /nfs/dbraw/zinc/02/45/65/350024565.db2.gz WVVINCOCRTXBGB-AEFFLSMTSA-N 2 2 295.430 2.768 20 30 CFEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077687 350024569 /nfs/dbraw/zinc/02/45/69/350024569.db2.gz WVVINCOCRTXBGB-AEFFLSMTSA-N 2 2 295.430 2.768 20 30 CFEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077687 350024573 /nfs/dbraw/zinc/02/45/73/350024573.db2.gz WVVINCOCRTXBGB-AEFFLSMTSA-N 2 2 295.430 2.768 20 30 CFEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132484 350035220 /nfs/dbraw/zinc/03/52/20/350035220.db2.gz JBCYFBWDAGNENN-UHFFFAOYSA-N 2 2 294.402 2.960 20 30 CFEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132484 350035223 /nfs/dbraw/zinc/03/52/23/350035223.db2.gz JBCYFBWDAGNENN-UHFFFAOYSA-N 2 2 294.402 2.960 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599000783 350357334 /nfs/dbraw/zinc/35/73/34/350357334.db2.gz VQFUEWWLGKEXET-HNNXBMFYSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599000783 350357337 /nfs/dbraw/zinc/35/73/37/350357337.db2.gz VQFUEWWLGKEXET-HNNXBMFYSA-N 2 2 263.429 2.923 20 30 CFEDLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000599431807 350435813 /nfs/dbraw/zinc/43/58/13/350435813.db2.gz GGBUTEOVIWIKQY-SFHVURJKSA-N 2 2 283.419 2.784 20 30 CFEDLP Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000599431807 350435815 /nfs/dbraw/zinc/43/58/15/350435815.db2.gz GGBUTEOVIWIKQY-SFHVURJKSA-N 2 2 283.419 2.784 20 30 CFEDLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000599431807 350435816 /nfs/dbraw/zinc/43/58/16/350435816.db2.gz GGBUTEOVIWIKQY-SFHVURJKSA-N 2 2 283.419 2.784 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000599431807 350435818 /nfs/dbraw/zinc/43/58/18/350435818.db2.gz GGBUTEOVIWIKQY-SFHVURJKSA-N 2 2 283.419 2.784 20 30 CFEDLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000599393434 350430478 /nfs/dbraw/zinc/43/04/78/350430478.db2.gz JGMNCLIYYDFXJQ-GOSISDBHSA-N 2 2 293.370 2.915 20 30 CFEDLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1C#N ZINC000599393434 350430480 /nfs/dbraw/zinc/43/04/80/350430480.db2.gz JGMNCLIYYDFXJQ-GOSISDBHSA-N 2 2 293.370 2.915 20 30 CFEDLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[NH2+]1 ZINC000600708846 350599429 /nfs/dbraw/zinc/59/94/29/350599429.db2.gz HOQAPXCTFKAXPV-SRCQZFHVSA-N 2 2 269.392 2.666 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600712816 350599903 /nfs/dbraw/zinc/59/99/03/350599903.db2.gz ZJYHRMLAJOHUJD-IAGOWNOFSA-N 2 2 281.403 2.810 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000602517926 350912537 /nfs/dbraw/zinc/91/25/37/350912537.db2.gz HBMSHGFLOOBGOI-RDJZCZTQSA-N 2 2 273.424 2.689 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000602520890 350913192 /nfs/dbraw/zinc/91/31/92/350913192.db2.gz MZVZPPZLKUFIHX-OAHLLOKOSA-N 2 2 286.423 2.575 20 30 CFEDLP C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000602466468 350892699 /nfs/dbraw/zinc/89/26/99/350892699.db2.gz VOKDZCAHSJTSRS-HZPDHXFCSA-N 2 2 263.429 2.877 20 30 CFEDLP C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000602466468 350892701 /nfs/dbraw/zinc/89/27/01/350892701.db2.gz VOKDZCAHSJTSRS-HZPDHXFCSA-N 2 2 263.429 2.877 20 30 CFEDLP CCC1([NH+](C)C)CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000602738493 351009190 /nfs/dbraw/zinc/00/91/90/351009190.db2.gz KULGEPSITWFOTQ-UHFFFAOYSA-N 2 2 277.437 2.926 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000602636061 350955141 /nfs/dbraw/zinc/95/51/41/350955141.db2.gz DLUVBAYCRMSGKV-CQSZACIVSA-N 2 2 251.418 2.638 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000602636061 350955145 /nfs/dbraw/zinc/95/51/45/350955145.db2.gz DLUVBAYCRMSGKV-CQSZACIVSA-N 2 2 251.418 2.638 20 30 CFEDLP C[NH+]1CCC2(CC[N@@H+]([C@@H](C#N)c3ccccc3)C2)CC1 ZINC000602877730 351055352 /nfs/dbraw/zinc/05/53/52/351055352.db2.gz LLVKWGREYXMAKV-INIZCTEOSA-N 2 2 269.392 2.669 20 30 CFEDLP C[NH+]1CCC2(CC[N@H+]([C@@H](C#N)c3ccccc3)C2)CC1 ZINC000602877730 351055354 /nfs/dbraw/zinc/05/53/54/351055354.db2.gz LLVKWGREYXMAKV-INIZCTEOSA-N 2 2 269.392 2.669 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000123841267 187110934 /nfs/dbraw/zinc/11/09/34/187110934.db2.gz OAGDRJRAXRBSQO-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000123841267 187110935 /nfs/dbraw/zinc/11/09/35/187110935.db2.gz OAGDRJRAXRBSQO-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)CC[NH+]1C ZINC000123841267 187110936 /nfs/dbraw/zinc/11/09/36/187110936.db2.gz OAGDRJRAXRBSQO-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)CC[NH+]1C ZINC000123841267 187110937 /nfs/dbraw/zinc/11/09/37/187110937.db2.gz OAGDRJRAXRBSQO-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000614397420 352089307 /nfs/dbraw/zinc/08/93/07/352089307.db2.gz SDUWIKUNVYPSIC-KRWDZBQOSA-N 2 2 280.375 2.900 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000614397420 352089311 /nfs/dbraw/zinc/08/93/11/352089311.db2.gz SDUWIKUNVYPSIC-KRWDZBQOSA-N 2 2 280.375 2.900 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000618565389 352810233 /nfs/dbraw/zinc/81/02/33/352810233.db2.gz WCWDMEYCEQIOKK-CVEARBPZSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000618565389 352810239 /nfs/dbraw/zinc/81/02/39/352810239.db2.gz WCWDMEYCEQIOKK-CVEARBPZSA-N 2 2 257.381 2.693 20 30 CFEDLP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000618593631 352827411 /nfs/dbraw/zinc/82/74/11/352827411.db2.gz FCKYYCGFCUECGS-QGZVFWFLSA-N 2 2 280.375 2.900 20 30 CFEDLP Cc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000618593631 352827413 /nfs/dbraw/zinc/82/74/13/352827413.db2.gz FCKYYCGFCUECGS-QGZVFWFLSA-N 2 2 280.375 2.900 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754888 353063501 /nfs/dbraw/zinc/06/35/01/353063501.db2.gz NZGFJVPGGQKPFN-BDJLRTHQSA-N 2 2 289.810 2.784 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754888 353063502 /nfs/dbraw/zinc/06/35/02/353063502.db2.gz NZGFJVPGGQKPFN-BDJLRTHQSA-N 2 2 289.810 2.784 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cncc(OC)c2C)CC1 ZINC000631065160 355271835 /nfs/dbraw/zinc/27/18/35/355271835.db2.gz QYBGQSWMAMQURR-UHFFFAOYSA-N 2 2 289.423 2.529 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335033547 283193020 /nfs/dbraw/zinc/19/30/20/283193020.db2.gz RBDNYTYOQXCUFW-DOTOQJQBSA-N 2 2 269.392 2.667 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC000294692927 199137430 /nfs/dbraw/zinc/13/74/30/199137430.db2.gz AKWVJJQUSHLBLJ-UHFFFAOYSA-N 2 2 250.411 2.797 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000177313571 189043153 /nfs/dbraw/zinc/04/31/53/189043153.db2.gz HCJZQHBOORFIPM-CQSZACIVSA-N 2 2 274.408 2.996 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000177907869 189078460 /nfs/dbraw/zinc/07/84/60/189078460.db2.gz PNZJJCVUULVSAE-CQSZACIVSA-N 2 2 274.408 2.996 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000178179028 189095484 /nfs/dbraw/zinc/09/54/84/189095484.db2.gz RUVJFZSQNCKRGN-WWGRRREGSA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000178179028 189095485 /nfs/dbraw/zinc/09/54/85/189095485.db2.gz RUVJFZSQNCKRGN-WWGRRREGSA-N 2 2 269.392 2.834 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]CCC[NH+](CC)CC ZINC000020090528 372228075 /nfs/dbraw/zinc/22/80/75/372228075.db2.gz JQGDLOTWMPGDED-UHFFFAOYSA-N 2 2 274.408 2.520 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000024878496 372282886 /nfs/dbraw/zinc/28/28/86/372282886.db2.gz QTIFTXNCCDEQOK-UHFFFAOYSA-N 2 2 269.392 2.522 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1cccc(C[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000264205418 383709360 /nfs/dbraw/zinc/70/93/60/383709360.db2.gz KPRMEQOMSCUIRJ-HOTGVXAUSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1cccc(C[N@H+](C)C[C@@H](C)C#N)c1 ZINC000264205418 383709364 /nfs/dbraw/zinc/70/93/64/383709364.db2.gz KPRMEQOMSCUIRJ-HOTGVXAUSA-N 2 2 298.434 2.870 20 30 CFEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000104166786 375772057 /nfs/dbraw/zinc/77/20/57/375772057.db2.gz ABWMCCDRJQAEJC-AWEZNQCLSA-N 2 2 294.468 2.611 20 30 CFEDLP C=C(C)COCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000125803537 377194835 /nfs/dbraw/zinc/19/48/35/377194835.db2.gz DNBAMQSGIQLXTP-UHFFFAOYSA-N 2 2 285.391 2.863 20 30 CFEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1 ZINC000125266835 377135910 /nfs/dbraw/zinc/13/59/10/377135910.db2.gz KDGAXCMQYZCTHS-UHFFFAOYSA-N 2 2 263.410 2.536 20 30 CFEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1 ZINC000125266835 377135916 /nfs/dbraw/zinc/13/59/16/377135916.db2.gz KDGAXCMQYZCTHS-UHFFFAOYSA-N 2 2 263.410 2.536 20 30 CFEDLP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000265367044 190177200 /nfs/dbraw/zinc/17/72/00/190177200.db2.gz NPGCVUPGJGGGNG-UHFFFAOYSA-N 2 2 272.396 2.725 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000131169980 377671108 /nfs/dbraw/zinc/67/11/08/377671108.db2.gz IPWQXRHAWZSLBN-CQSZACIVSA-N 2 2 289.448 2.928 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000131169980 377671116 /nfs/dbraw/zinc/67/11/16/377671116.db2.gz IPWQXRHAWZSLBN-CQSZACIVSA-N 2 2 289.448 2.928 20 30 CFEDLP C=CCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccco1 ZINC000278867527 194189306 /nfs/dbraw/zinc/18/93/06/194189306.db2.gz GAFPXVJNDVCFDT-INIZCTEOSA-N 2 2 292.423 2.723 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173875606 379792021 /nfs/dbraw/zinc/79/20/21/379792021.db2.gz KVGAZOSLDVEARY-INIZCTEOSA-N 2 2 283.419 2.866 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173875606 379792027 /nfs/dbraw/zinc/79/20/27/379792027.db2.gz KVGAZOSLDVEARY-INIZCTEOSA-N 2 2 283.419 2.866 20 30 CFEDLP N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268267521 190391473 /nfs/dbraw/zinc/39/14/73/190391473.db2.gz BHRIABUPXJKXKV-ZDUSSCGKSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268267521 190391474 /nfs/dbraw/zinc/39/14/74/190391474.db2.gz BHRIABUPXJKXKV-ZDUSSCGKSA-N 2 2 284.338 2.800 20 30 CFEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177356418 380332796 /nfs/dbraw/zinc/33/27/96/380332796.db2.gz KYWNNBUOTMIXJZ-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177356418 380332803 /nfs/dbraw/zinc/33/28/03/380332803.db2.gz KYWNNBUOTMIXJZ-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177356418 380332808 /nfs/dbraw/zinc/33/28/08/380332808.db2.gz KYWNNBUOTMIXJZ-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177356418 380332813 /nfs/dbraw/zinc/33/28/13/380332813.db2.gz KYWNNBUOTMIXJZ-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000279090300 194280407 /nfs/dbraw/zinc/28/04/07/194280407.db2.gz UETXFNDYFSHKGV-INIZCTEOSA-N 2 2 265.360 2.771 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000279090300 194280408 /nfs/dbraw/zinc/28/04/08/194280408.db2.gz UETXFNDYFSHKGV-INIZCTEOSA-N 2 2 265.360 2.771 20 30 CFEDLP N#CCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181683094 380863132 /nfs/dbraw/zinc/86/31/32/380863132.db2.gz CUNODEKQWKTIAD-UHFFFAOYSA-N 2 2 296.418 2.806 20 30 CFEDLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000358597718 380960340 /nfs/dbraw/zinc/96/03/40/380960340.db2.gz XDLAVFAZMIEWFE-LBPRGKRZSA-N 2 2 272.327 2.635 20 30 CFEDLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(C#N)cc1F ZINC000358567799 380933424 /nfs/dbraw/zinc/93/34/24/380933424.db2.gz JQYQLHCBPIDQAY-GFCCVEGCSA-N 2 2 277.387 2.936 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000368137287 380940454 /nfs/dbraw/zinc/94/04/54/380940454.db2.gz ZBNSDTVWQKWDJO-INIZCTEOSA-N 2 2 297.402 2.974 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000368137287 380940464 /nfs/dbraw/zinc/94/04/64/380940464.db2.gz ZBNSDTVWQKWDJO-INIZCTEOSA-N 2 2 297.402 2.974 20 30 CFEDLP CC#CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000354177876 381120955 /nfs/dbraw/zinc/12/09/55/381120955.db2.gz IWHWHNPFJMNFJX-NVXWUHKLSA-N 2 2 256.393 2.510 20 30 CFEDLP CC#CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000354177876 381120964 /nfs/dbraw/zinc/12/09/64/381120964.db2.gz IWHWHNPFJMNFJX-NVXWUHKLSA-N 2 2 256.393 2.510 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000184348826 381404684 /nfs/dbraw/zinc/40/46/84/381404684.db2.gz XBEVBYJUPWGOFE-CQSZACIVSA-N 2 2 259.397 2.691 20 30 CFEDLP N#Cc1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)ccc1F ZINC000370434487 381446955 /nfs/dbraw/zinc/44/69/55/381446955.db2.gz UUCVBXYOEMHTSK-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)ccc1F ZINC000370434487 381446960 /nfs/dbraw/zinc/44/69/60/381446960.db2.gz UUCVBXYOEMHTSK-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)ccc1F ZINC000370434487 381446967 /nfs/dbraw/zinc/44/69/67/381446967.db2.gz UUCVBXYOEMHTSK-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)ccc1F ZINC000370434487 381446971 /nfs/dbraw/zinc/44/69/71/381446971.db2.gz UUCVBXYOEMHTSK-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000185384170 381619285 /nfs/dbraw/zinc/61/92/85/381619285.db2.gz ZJBCMGYIUDYJIJ-GFCCVEGCSA-N 2 2 278.371 2.832 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000359866988 381649153 /nfs/dbraw/zinc/64/91/53/381649153.db2.gz GSCBJDUNWRENIU-ZMSDIMECSA-N 2 2 256.393 2.823 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000359866988 381649159 /nfs/dbraw/zinc/64/91/59/381649159.db2.gz GSCBJDUNWRENIU-ZMSDIMECSA-N 2 2 256.393 2.823 20 30 CFEDLP C=CCC[NH+](C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000343489341 381749044 /nfs/dbraw/zinc/74/90/44/381749044.db2.gz KXNQDABSDYCEJI-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP C=CCC[NH+](C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000343489341 381749049 /nfs/dbraw/zinc/74/90/49/381749049.db2.gz KXNQDABSDYCEJI-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP C=CCC[N@@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000343489341 381749056 /nfs/dbraw/zinc/74/90/56/381749056.db2.gz KXNQDABSDYCEJI-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP C=CCC[N@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000343489341 381749063 /nfs/dbraw/zinc/74/90/63/381749063.db2.gz KXNQDABSDYCEJI-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000361705090 381857163 /nfs/dbraw/zinc/85/71/63/381857163.db2.gz IVYYTLYNPINVNM-ZDUSSCGKSA-N 2 2 268.364 2.772 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000361705090 381857168 /nfs/dbraw/zinc/85/71/68/381857168.db2.gz IVYYTLYNPINVNM-ZDUSSCGKSA-N 2 2 268.364 2.772 20 30 CFEDLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000349364129 381909202 /nfs/dbraw/zinc/90/92/02/381909202.db2.gz FVCSDXQUYJXTJO-UHFFFAOYSA-N 2 2 277.387 2.861 20 30 CFEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000349364129 381909208 /nfs/dbraw/zinc/90/92/08/381909208.db2.gz FVCSDXQUYJXTJO-UHFFFAOYSA-N 2 2 277.387 2.861 20 30 CFEDLP N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000362298228 381996629 /nfs/dbraw/zinc/99/66/29/381996629.db2.gz JJCFSBMABWJBPV-OAHLLOKOSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000362298228 381996634 /nfs/dbraw/zinc/99/66/34/381996634.db2.gz JJCFSBMABWJBPV-OAHLLOKOSA-N 2 2 297.333 2.746 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000374402055 382045425 /nfs/dbraw/zinc/04/54/25/382045425.db2.gz SBGQLMUYBZEPGV-BHIYHBOVSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000374402055 382045428 /nfs/dbraw/zinc/04/54/28/382045428.db2.gz SBGQLMUYBZEPGV-BHIYHBOVSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000374402055 382045430 /nfs/dbraw/zinc/04/54/30/382045430.db2.gz SBGQLMUYBZEPGV-BHIYHBOVSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000374402055 382045433 /nfs/dbraw/zinc/04/54/33/382045433.db2.gz SBGQLMUYBZEPGV-BHIYHBOVSA-N 2 2 298.405 2.593 20 30 CFEDLP C(#Cc1ccccc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000192061805 382704494 /nfs/dbraw/zinc/70/44/94/382704494.db2.gz SLHAKHXXEHYIKD-UHFFFAOYSA-N 2 2 265.360 2.572 20 30 CFEDLP CCC[NH+]1CCC([N@H+](C)CC#Cc2ccccc2)CC1 ZINC000192055783 382704596 /nfs/dbraw/zinc/70/45/96/382704596.db2.gz QRUUEZUKLNUOIP-UHFFFAOYSA-N 2 2 270.420 2.844 20 30 CFEDLP CCC[NH+]1CCC([N@@H+](C)CC#Cc2ccccc2)CC1 ZINC000192055783 382704597 /nfs/dbraw/zinc/70/45/97/382704597.db2.gz QRUUEZUKLNUOIP-UHFFFAOYSA-N 2 2 270.420 2.844 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000192070673 382704697 /nfs/dbraw/zinc/70/46/97/382704697.db2.gz GTEXSKMROWOHFA-AWEZNQCLSA-N 2 2 268.364 2.915 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000192070673 382704698 /nfs/dbraw/zinc/70/46/98/382704698.db2.gz GTEXSKMROWOHFA-AWEZNQCLSA-N 2 2 268.364 2.915 20 30 CFEDLP C=CC[N@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191083362 382690455 /nfs/dbraw/zinc/69/04/55/382690455.db2.gz YKHLOHYMLWTISB-UHFFFAOYSA-N 2 2 285.391 2.815 20 30 CFEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337380853 382812155 /nfs/dbraw/zinc/81/21/55/382812155.db2.gz CBJZANHDDOPSER-SJORKVTESA-N 2 2 280.456 2.775 20 30 CFEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337380853 382812158 /nfs/dbraw/zinc/81/21/58/382812158.db2.gz CBJZANHDDOPSER-SJORKVTESA-N 2 2 280.456 2.775 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578263646 382905742 /nfs/dbraw/zinc/90/57/42/382905742.db2.gz OQEMKDQYCKDVIP-BBRMVZONSA-N 2 2 280.375 2.842 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000442790475 382958091 /nfs/dbraw/zinc/95/80/91/382958091.db2.gz GSQPIEIDRAZQHZ-UONOGXRCSA-N 2 2 258.369 2.556 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245587989 383012043 /nfs/dbraw/zinc/01/20/43/383012043.db2.gz KFDCTOJWCNYCPT-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245587989 383012045 /nfs/dbraw/zinc/01/20/45/383012045.db2.gz KFDCTOJWCNYCPT-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@H]21 ZINC000245750653 383032427 /nfs/dbraw/zinc/03/24/27/383032427.db2.gz HBADUERTJFISDU-SWLSCSKDSA-N 2 2 275.421 2.536 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@H]21 ZINC000245750653 383032430 /nfs/dbraw/zinc/03/24/30/383032430.db2.gz HBADUERTJFISDU-SWLSCSKDSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@H]21 ZINC000245750653 383032432 /nfs/dbraw/zinc/03/24/32/383032432.db2.gz HBADUERTJFISDU-SWLSCSKDSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@H]21 ZINC000245750653 383032438 /nfs/dbraw/zinc/03/24/38/383032438.db2.gz HBADUERTJFISDU-SWLSCSKDSA-N 2 2 275.421 2.536 20 30 CFEDLP C#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246428791 383075895 /nfs/dbraw/zinc/07/58/95/383075895.db2.gz NTUWOTLNIKEYFT-FUHWJXTLSA-N 2 2 285.435 2.685 20 30 CFEDLP C#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246428791 383075899 /nfs/dbraw/zinc/07/58/99/383075899.db2.gz NTUWOTLNIKEYFT-FUHWJXTLSA-N 2 2 285.435 2.685 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)C(C)C ZINC000246958276 383125682 /nfs/dbraw/zinc/12/56/82/383125682.db2.gz IJTCHJNOKVOOEY-IXDOHACOSA-N 2 2 280.456 2.700 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)C(C)C ZINC000246958296 383125909 /nfs/dbraw/zinc/12/59/09/383125909.db2.gz IJTCHJNOKVOOEY-YESZJQIVSA-N 2 2 280.456 2.700 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000246640788 383088354 /nfs/dbraw/zinc/08/83/54/383088354.db2.gz SEARHSNNXTWJJL-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000246640788 383088357 /nfs/dbraw/zinc/08/83/57/383088357.db2.gz SEARHSNNXTWJJL-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248654954 383278337 /nfs/dbraw/zinc/27/83/37/383278337.db2.gz WAFCJCKICZDWQZ-NRSFXHEJSA-N 2 2 283.419 2.646 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248654954 383278345 /nfs/dbraw/zinc/27/83/45/383278345.db2.gz WAFCJCKICZDWQZ-NRSFXHEJSA-N 2 2 283.419 2.646 20 30 CFEDLP C=CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449484336 383324383 /nfs/dbraw/zinc/32/43/83/383324383.db2.gz GNFAILAPFMOGPP-UHFFFAOYSA-N 2 2 273.424 2.848 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449694285 383360693 /nfs/dbraw/zinc/36/06/93/383360693.db2.gz BIWDRZSCJYFXJE-BPQIPLTHSA-N 2 2 288.435 2.739 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449694285 383360694 /nfs/dbraw/zinc/36/06/94/383360694.db2.gz BIWDRZSCJYFXJE-BPQIPLTHSA-N 2 2 288.435 2.739 20 30 CFEDLP CC#CCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000482162052 383431709 /nfs/dbraw/zinc/43/17/09/383431709.db2.gz FXDCCUPMHHZLAT-WMZOPIPTSA-N 2 2 270.420 2.900 20 30 CFEDLP CC#CCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000482162052 383431712 /nfs/dbraw/zinc/43/17/12/383431712.db2.gz FXDCCUPMHHZLAT-WMZOPIPTSA-N 2 2 270.420 2.900 20 30 CFEDLP CC[NH+](C/C=C\C[N@@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000255369686 383481352 /nfs/dbraw/zinc/48/13/52/383481352.db2.gz DUHAJRKBPXZYQZ-CMKSSICZSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[NH+](C/C=C\C[N@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000255369686 383481354 /nfs/dbraw/zinc/48/13/54/383481354.db2.gz DUHAJRKBPXZYQZ-CMKSSICZSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[NH+](C/C=C\C[N@H+](CC)C[C@@H](C)C#N)C[C@H](C)C#N ZINC000255369686 383481356 /nfs/dbraw/zinc/48/13/56/383481356.db2.gz DUHAJRKBPXZYQZ-CMKSSICZSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[NH+](C/C=C\C[N@@H+](CC)C[C@@H](C)C#N)C[C@H](C)C#N ZINC000255369686 383481358 /nfs/dbraw/zinc/48/13/58/383481358.db2.gz DUHAJRKBPXZYQZ-CMKSSICZSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000428391058 383464630 /nfs/dbraw/zinc/46/46/30/383464630.db2.gz FHBLQAFXMDADNT-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000428391058 383464635 /nfs/dbraw/zinc/46/46/35/383464635.db2.gz FHBLQAFXMDADNT-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000428391058 383464638 /nfs/dbraw/zinc/46/46/38/383464638.db2.gz FHBLQAFXMDADNT-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000428391058 383464645 /nfs/dbraw/zinc/46/46/45/383464645.db2.gz FHBLQAFXMDADNT-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268786846 384662151 /nfs/dbraw/zinc/66/21/51/384662151.db2.gz BTDPFJANJUSTRH-HUUCEWRRSA-N 2 2 283.375 2.634 20 30 CFEDLP C=CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270371700 385076266 /nfs/dbraw/zinc/07/62/66/385076266.db2.gz UJHWIEPQHSLAMC-CQSZACIVSA-N 2 2 255.365 2.995 20 30 CFEDLP C=CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270371700 385076280 /nfs/dbraw/zinc/07/62/80/385076280.db2.gz UJHWIEPQHSLAMC-CQSZACIVSA-N 2 2 255.365 2.995 20 30 CFEDLP C#CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000272049369 385435196 /nfs/dbraw/zinc/43/51/96/385435196.db2.gz QBEVRWBBNJDQII-MRXNPFEDSA-N 2 2 253.349 2.627 20 30 CFEDLP C=C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000286297848 385584857 /nfs/dbraw/zinc/58/48/57/385584857.db2.gz GJNYUWQCCMOLMT-UHFFFAOYSA-N 2 2 299.462 2.851 20 30 CFEDLP C=CCCCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000274408963 385790161 /nfs/dbraw/zinc/79/01/61/385790161.db2.gz GICXQCLALQZXDW-UHFFFAOYSA-N 2 2 294.362 2.979 20 30 CFEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000681083751 542408309 /nfs/dbraw/zinc/40/83/09/542408309.db2.gz YGMADGOQENNFJM-SJLPKXTDSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CCOCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000681083751 542408313 /nfs/dbraw/zinc/40/83/13/542408313.db2.gz YGMADGOQENNFJM-SJLPKXTDSA-N 2 2 288.435 2.689 20 30 CFEDLP N#Cc1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)c(F)c1 ZINC000179424039 393466880 /nfs/dbraw/zinc/46/68/80/393466880.db2.gz OYGRTMMUFBACEW-UHFFFAOYSA-N 2 2 280.306 2.635 20 30 CFEDLP C=CC[N@@H+](C)CCN(CC)Cc1cn2cc(C)ccc2[nH+]1 ZINC000411640549 393733721 /nfs/dbraw/zinc/73/37/21/393733721.db2.gz KUCZUSLOBWDRGI-UHFFFAOYSA-N 2 2 286.423 2.582 20 30 CFEDLP C=CC[N@H+](C)CCN(CC)Cc1cn2cc(C)ccc2[nH+]1 ZINC000411640549 393733723 /nfs/dbraw/zinc/73/37/23/393733723.db2.gz KUCZUSLOBWDRGI-UHFFFAOYSA-N 2 2 286.423 2.582 20 30 CFEDLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1CC[C@H](C#N)C1 ZINC000339103512 393819623 /nfs/dbraw/zinc/81/96/23/393819623.db2.gz SMBUKDSRPYHBBR-DZJNRPSUSA-N 2 2 298.434 2.698 20 30 CFEDLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1CC[C@H](C#N)C1 ZINC000339103512 393819630 /nfs/dbraw/zinc/81/96/30/393819630.db2.gz SMBUKDSRPYHBBR-DZJNRPSUSA-N 2 2 298.434 2.698 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@@H]1CC[C@H](C#N)C1 ZINC000339103512 393819637 /nfs/dbraw/zinc/81/96/37/393819637.db2.gz SMBUKDSRPYHBBR-DZJNRPSUSA-N 2 2 298.434 2.698 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@@H]1CC[C@H](C#N)C1 ZINC000339103512 393819641 /nfs/dbraw/zinc/81/96/41/393819641.db2.gz SMBUKDSRPYHBBR-DZJNRPSUSA-N 2 2 298.434 2.698 20 30 CFEDLP Cc1cc[nH+]cc1CCC[NH+]1CCC(F)(C#N)CC1 ZINC000348699964 393956294 /nfs/dbraw/zinc/95/62/94/393956294.db2.gz AZHJQIHYLSDAJL-UHFFFAOYSA-N 2 2 261.344 2.650 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000349179690 393964704 /nfs/dbraw/zinc/96/47/04/393964704.db2.gz CENROUFQYSDVJM-MRXNPFEDSA-N 2 2 297.402 2.974 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000349179690 393964708 /nfs/dbraw/zinc/96/47/08/393964708.db2.gz CENROUFQYSDVJM-MRXNPFEDSA-N 2 2 297.402 2.974 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000349308563 393967508 /nfs/dbraw/zinc/96/75/08/393967508.db2.gz AIBQVXPIMBTOBT-KURKYZTESA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000349308563 393967510 /nfs/dbraw/zinc/96/75/10/393967510.db2.gz AIBQVXPIMBTOBT-KURKYZTESA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353254542 394026948 /nfs/dbraw/zinc/02/69/48/394026948.db2.gz MABSXPOGUFSCOK-PJSAGSTRSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353254542 394026950 /nfs/dbraw/zinc/02/69/50/394026950.db2.gz MABSXPOGUFSCOK-PJSAGSTRSA-N 2 2 281.403 2.618 20 30 CFEDLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439437374 394115614 /nfs/dbraw/zinc/11/56/14/394115614.db2.gz JYPZHJHRZMWTAW-ZDUSSCGKSA-N 2 2 277.799 2.595 20 30 CFEDLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439437374 394115618 /nfs/dbraw/zinc/11/56/18/394115618.db2.gz JYPZHJHRZMWTAW-ZDUSSCGKSA-N 2 2 277.799 2.595 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000359509555 394136205 /nfs/dbraw/zinc/13/62/05/394136205.db2.gz RBQYKDFSXQMUTO-HZPDHXFCSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000359509555 394136208 /nfs/dbraw/zinc/13/62/08/394136208.db2.gz RBQYKDFSXQMUTO-HZPDHXFCSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccco1 ZINC000286030141 394181955 /nfs/dbraw/zinc/18/19/55/394181955.db2.gz KDNYFVREICSAPY-INIZCTEOSA-N 2 2 292.423 2.987 20 30 CFEDLP C#CCCC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000372047507 394304721 /nfs/dbraw/zinc/30/47/21/394304721.db2.gz YZAWGUDUWHCFKL-UHFFFAOYSA-N 2 2 274.383 2.793 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000648500178 395176126 /nfs/dbraw/zinc/17/61/26/395176126.db2.gz OETYXRNTABBVTG-HNNXBMFYSA-N 2 2 268.445 2.822 20 30 CFEDLP N#Cc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)s1 ZINC000351569199 163149184 /nfs/dbraw/zinc/14/91/84/163149184.db2.gz QOVGKIAQQDPOTE-UHFFFAOYSA-N 2 2 295.371 2.872 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000020189431 171055670 /nfs/dbraw/zinc/05/56/70/171055670.db2.gz DMBNMTUPVUKIGK-UHFFFAOYSA-N 2 2 286.419 2.661 20 30 CFEDLP C=C(CNc1cc(C)[nH+]c(C)n1)CNc1cc(C)[nH+]c(C)n1 ZINC000664629378 413872539 /nfs/dbraw/zinc/87/25/39/413872539.db2.gz RGFYBWSSFCGABY-UHFFFAOYSA-N 2 2 298.394 2.580 20 30 CFEDLP C=CCOCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657657818 413824420 /nfs/dbraw/zinc/82/44/20/413824420.db2.gz DWAFPOZUMPKEHL-UHFFFAOYSA-N 2 2 271.364 2.555 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658018700 414105266 /nfs/dbraw/zinc/10/52/66/414105266.db2.gz FLEUOHPEKHSZGL-MGPQQGTHSA-N 2 2 259.397 2.992 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000658018700 414105270 /nfs/dbraw/zinc/10/52/70/414105270.db2.gz FLEUOHPEKHSZGL-MGPQQGTHSA-N 2 2 259.397 2.992 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000658026403 414112762 /nfs/dbraw/zinc/11/27/62/414112762.db2.gz UEXXOTSODBCKED-IXDOHACOSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000658026403 414112770 /nfs/dbraw/zinc/11/27/70/414112770.db2.gz UEXXOTSODBCKED-IXDOHACOSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000661756941 414195296 /nfs/dbraw/zinc/19/52/96/414195296.db2.gz YHWXFQMAYNCNKV-QGZVFWFLSA-N 2 2 290.451 2.766 20 30 CFEDLP C=CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000661756941 414195302 /nfs/dbraw/zinc/19/53/02/414195302.db2.gz YHWXFQMAYNCNKV-QGZVFWFLSA-N 2 2 290.451 2.766 20 30 CFEDLP C=CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000661756941 414195305 /nfs/dbraw/zinc/19/53/05/414195305.db2.gz YHWXFQMAYNCNKV-QGZVFWFLSA-N 2 2 290.451 2.766 20 30 CFEDLP C=CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000661756941 414195309 /nfs/dbraw/zinc/19/53/09/414195309.db2.gz YHWXFQMAYNCNKV-QGZVFWFLSA-N 2 2 290.451 2.766 20 30 CFEDLP C=CCCC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000665236978 414196095 /nfs/dbraw/zinc/19/60/95/414196095.db2.gz XMXSOYNDRGGILR-IAGOWNOFSA-N 2 2 292.467 2.870 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037213771 260074559 /nfs/dbraw/zinc/07/45/59/260074559.db2.gz XJVKAJZBQIQWAB-GOEBONIOSA-N 2 2 287.407 2.724 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037213771 260074560 /nfs/dbraw/zinc/07/45/60/260074560.db2.gz XJVKAJZBQIQWAB-GOEBONIOSA-N 2 2 287.407 2.724 20 30 CFEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361460222 261280653 /nfs/dbraw/zinc/28/06/53/261280653.db2.gz SXHUQJPFGUPRGD-XUWVNRHRSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361460222 261280655 /nfs/dbraw/zinc/28/06/55/261280655.db2.gz SXHUQJPFGUPRGD-XUWVNRHRSA-N 2 2 263.429 2.921 20 30 CFEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCCC#N)[C@H](C)C2)s1 ZINC000364917554 262264539 /nfs/dbraw/zinc/26/45/39/262264539.db2.gz QSGRNMOUPCYFLI-DOMZBBRYSA-N 2 2 292.452 2.555 20 30 CFEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCCC#N)[C@H](C)C2)s1 ZINC000364917554 262264540 /nfs/dbraw/zinc/26/45/40/262264540.db2.gz QSGRNMOUPCYFLI-DOMZBBRYSA-N 2 2 292.452 2.555 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000414765387 263040779 /nfs/dbraw/zinc/04/07/79/263040779.db2.gz FUDINDKVCMGUTL-GDBMZVCRSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])c1 ZINC000414765387 263040780 /nfs/dbraw/zinc/04/07/80/263040780.db2.gz FUDINDKVCMGUTL-GDBMZVCRSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000414765389 263040970 /nfs/dbraw/zinc/04/09/70/263040970.db2.gz FUDINDKVCMGUTL-GOEBONIOSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])c1 ZINC000414765389 263040971 /nfs/dbraw/zinc/04/09/71/263040971.db2.gz FUDINDKVCMGUTL-GOEBONIOSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000414796908 263049800 /nfs/dbraw/zinc/04/98/00/263049800.db2.gz XZKVTBHMWMUVHN-UHFFFAOYSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000414796908 263049801 /nfs/dbraw/zinc/04/98/01/263049801.db2.gz XZKVTBHMWMUVHN-UHFFFAOYSA-N 2 2 260.381 2.565 20 30 CFEDLP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000289437902 263110237 /nfs/dbraw/zinc/11/02/37/263110237.db2.gz SUQUTJSBINCGRV-JKSUJKDBSA-N 2 2 271.408 2.961 20 30 CFEDLP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000289437902 263110238 /nfs/dbraw/zinc/11/02/38/263110238.db2.gz SUQUTJSBINCGRV-JKSUJKDBSA-N 2 2 271.408 2.961 20 30 CFEDLP C=CCOc1ccc(C[NH2+]C[C@@H](C)[NH2+]CC)cc1Cl ZINC000414959680 263164619 /nfs/dbraw/zinc/16/46/19/263164619.db2.gz QCWWASVXZLLYKU-GFCCVEGCSA-N 2 2 282.815 2.992 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000341326147 263331353 /nfs/dbraw/zinc/33/13/53/263331353.db2.gz WDTHVZVZHCITTJ-SOLBZPMBSA-N 2 2 288.435 2.596 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000341326147 263331356 /nfs/dbraw/zinc/33/13/56/263331356.db2.gz WDTHVZVZHCITTJ-SOLBZPMBSA-N 2 2 288.435 2.596 20 30 CFEDLP N#CCC1(C[NH2+]C2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000366760008 263383748 /nfs/dbraw/zinc/38/37/48/263383748.db2.gz RBPWRVDCBPJCSB-UHFFFAOYSA-N 2 2 289.448 2.996 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000125746217 264027458 /nfs/dbraw/zinc/02/74/58/264027458.db2.gz XUBOAIKJPUTSEA-CRAIPNDOSA-N 2 2 288.410 2.839 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000125746217 264027462 /nfs/dbraw/zinc/02/74/62/264027462.db2.gz XUBOAIKJPUTSEA-CRAIPNDOSA-N 2 2 288.410 2.839 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000125746217 264027466 /nfs/dbraw/zinc/02/74/66/264027466.db2.gz XUBOAIKJPUTSEA-CRAIPNDOSA-N 2 2 288.410 2.839 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000125746217 264027470 /nfs/dbraw/zinc/02/74/70/264027470.db2.gz XUBOAIKJPUTSEA-CRAIPNDOSA-N 2 2 288.410 2.839 20 30 CFEDLP Cc1cc(C)c(NC(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)[nH+]1 ZINC000331250350 264181046 /nfs/dbraw/zinc/18/10/46/264181046.db2.gz YMAKKSLJLOHOJP-GFCCVEGCSA-N 2 2 287.367 2.618 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC[NH+](CCCC(C)(C)C#N)CC2)CCO1 ZINC000363308711 267086704 /nfs/dbraw/zinc/08/67/04/267086704.db2.gz ICWAYWDHFRLAKE-HNNXBMFYSA-N 2 2 293.455 2.501 20 30 CFEDLP C[C@H]1C[N@H+](C2CC[NH+](CCCC(C)(C)C#N)CC2)CCO1 ZINC000363308711 267086706 /nfs/dbraw/zinc/08/67/06/267086706.db2.gz ICWAYWDHFRLAKE-HNNXBMFYSA-N 2 2 293.455 2.501 20 30 CFEDLP C[N@H+](CCCCC#N)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371209602 267372055 /nfs/dbraw/zinc/37/20/55/267372055.db2.gz UZBQCXDDKYHAEI-UHFFFAOYSA-N 2 2 286.423 2.672 20 30 CFEDLP C[N@@H+](CCCCC#N)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371209602 267372057 /nfs/dbraw/zinc/37/20/57/267372057.db2.gz UZBQCXDDKYHAEI-UHFFFAOYSA-N 2 2 286.423 2.672 20 30 CFEDLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423391390 273579976 /nfs/dbraw/zinc/57/99/76/273579976.db2.gz PINIIEFJVADUJV-SJORKVTESA-N 2 2 283.419 2.913 20 30 CFEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C2 ZINC000333115759 277271124 /nfs/dbraw/zinc/27/11/24/277271124.db2.gz UBLRDZWLTAGIBQ-IHRRRGAJSA-N 2 2 286.423 2.777 20 30 CFEDLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cccc(C#N)c3)n2c1 ZINC000155788538 289925632 /nfs/dbraw/zinc/92/56/32/289925632.db2.gz OKDDTDSISZQVBN-UHFFFAOYSA-N 2 2 276.343 2.804 20 30 CFEDLP CC#CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339660524 328012534 /nfs/dbraw/zinc/01/25/34/328012534.db2.gz XTMGSDPWTJZPCZ-OAHLLOKOSA-N 2 2 267.376 2.832 20 30 CFEDLP CC#CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339660524 328012536 /nfs/dbraw/zinc/01/25/36/328012536.db2.gz XTMGSDPWTJZPCZ-OAHLLOKOSA-N 2 2 267.376 2.832 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000271531769 328196820 /nfs/dbraw/zinc/19/68/20/328196820.db2.gz WXOQCGYSXPJHBS-GLJUWKHASA-N 2 2 299.418 2.722 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000271531769 328196822 /nfs/dbraw/zinc/19/68/22/328196822.db2.gz WXOQCGYSXPJHBS-GLJUWKHASA-N 2 2 299.418 2.722 20 30 CFEDLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000177861271 323705457 /nfs/dbraw/zinc/70/54/57/323705457.db2.gz ZOUXHLDQZQVTCB-UHFFFAOYSA-N 2 2 275.371 2.660 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000518287825 327150934 /nfs/dbraw/zinc/15/09/34/327150934.db2.gz MUCODURODRJAGH-UHFFFAOYSA-N 2 2 284.407 2.693 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000518287825 327150935 /nfs/dbraw/zinc/15/09/35/327150935.db2.gz MUCODURODRJAGH-UHFFFAOYSA-N 2 2 284.407 2.693 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378337871 329046617 /nfs/dbraw/zinc/04/66/17/329046617.db2.gz BIIHHGVUWIFQGK-UHFFFAOYSA-N 2 2 295.386 2.801 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000181716740 329235994 /nfs/dbraw/zinc/23/59/94/329235994.db2.gz VQVLAJDWHGCYEQ-CVEARBPZSA-N 2 2 278.440 2.574 20 30 CFEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000184090830 329256188 /nfs/dbraw/zinc/25/61/88/329256188.db2.gz CJKDHUVCTJNRGC-LLVKDONJSA-N 2 2 277.334 2.685 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185221677 329268932 /nfs/dbraw/zinc/26/89/32/329268932.db2.gz CJNZMHLAIFSWLT-JKSUJKDBSA-N 2 2 280.456 2.819 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000185803131 329329362 /nfs/dbraw/zinc/32/93/62/329329362.db2.gz CRZQSPRUOZFWIP-OWCLPIDISA-N 2 2 263.429 2.779 20 30 CFEDLP CCc1[nH+]c2cc(CNC(=[NH2+])NC(C)C)ccc2n1C1CC1 ZINC000261607974 329973120 /nfs/dbraw/zinc/97/31/20/329973120.db2.gz DZDCEIWPFLAFHH-UHFFFAOYSA-N 2 2 299.422 2.746 20 30 CFEDLP Cn1c[nH+]cc1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000262316939 330005722 /nfs/dbraw/zinc/00/57/22/330005722.db2.gz QWMXCVZXERMWRI-UHFFFAOYSA-N 2 2 297.406 2.874 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422904024 330159541 /nfs/dbraw/zinc/15/95/41/330159541.db2.gz GJVXBLZYDCSFMZ-HOTGVXAUSA-N 2 2 274.408 2.872 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422903587 330162216 /nfs/dbraw/zinc/16/22/16/330162216.db2.gz FRXMMYCDIZTPLV-GOEBONIOSA-N 2 2 274.408 2.872 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC000438977254 330731669 /nfs/dbraw/zinc/73/16/69/330731669.db2.gz KEIYOGVTSFWIDZ-LSDHHAIUSA-N 2 2 268.470 2.758 20 30 CFEDLP C=CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452126302 331055242 /nfs/dbraw/zinc/05/52/42/331055242.db2.gz ZYRRGEBWQKPOON-UHFFFAOYSA-N 2 2 250.308 2.521 20 30 CFEDLP C=CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452126302 331055243 /nfs/dbraw/zinc/05/52/43/331055243.db2.gz ZYRRGEBWQKPOON-UHFFFAOYSA-N 2 2 250.308 2.521 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000545948978 334008342 /nfs/dbraw/zinc/00/83/42/334008342.db2.gz OCBNPLDNZCAUHC-CYBMUJFWSA-N 2 2 260.385 2.539 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000545948978 334008344 /nfs/dbraw/zinc/00/83/44/334008344.db2.gz OCBNPLDNZCAUHC-CYBMUJFWSA-N 2 2 260.385 2.539 20 30 CFEDLP CC1CC[NH+](CC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000135148822 334117715 /nfs/dbraw/zinc/11/77/15/334117715.db2.gz GFRYIPPWDOOKBU-UHFFFAOYSA-N 2 2 251.418 2.638 20 30 CFEDLP C=CCOCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000548095586 334139348 /nfs/dbraw/zinc/13/93/48/334139348.db2.gz IPVHNEQGSRFFGS-UHFFFAOYSA-N 2 2 275.396 2.551 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]CC1(O)CCCC1)C(C)C ZINC000567262549 334699061 /nfs/dbraw/zinc/69/90/61/334699061.db2.gz UCHLVSPGAICUMW-MRXNPFEDSA-N 2 2 280.456 2.580 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000174237696 526621594 /nfs/dbraw/zinc/62/15/94/526621594.db2.gz RKMWBOVEAYGRMF-UHFFFAOYSA-N 2 2 295.386 2.905 20 30 CFEDLP C=CCC[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000349448722 527424235 /nfs/dbraw/zinc/42/42/35/527424235.db2.gz FAQNYBBDYUIHRE-CQSZACIVSA-N 2 2 268.445 2.820 20 30 CFEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccc1)c1ccccc1 ZINC000161480463 618119556 /nfs/dbraw/zinc/11/95/56/618119556.db2.gz NLFKBJCWLSLALH-MRXNPFEDSA-N 2 2 282.391 2.716 20 30 CFEDLP C#CCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178059054 618621842 /nfs/dbraw/zinc/62/18/42/618621842.db2.gz LCXGMYIOSXWFCR-CQSZACIVSA-N 2 2 253.349 2.936 20 30 CFEDLP Cc1cc(C[NH+]2CCC(C)([NH+](C)C)CC2)ccc1C#N ZINC000931352720 618953054 /nfs/dbraw/zinc/95/30/54/618953054.db2.gz RHQPZRDLSLLJLC-UHFFFAOYSA-N 2 2 271.408 2.783 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924983638 619316705 /nfs/dbraw/zinc/31/67/05/619316705.db2.gz DEDKSPQHVLPMSS-ZWKOTPCHSA-N 2 2 291.483 2.633 20 30 CFEDLP C=CCCC[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000898244367 620356262 /nfs/dbraw/zinc/35/62/62/620356262.db2.gz IDVIHXQJNMJAEI-UHFFFAOYSA-N 2 2 267.442 2.993 20 30 CFEDLP C=CCCC[N@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000898244367 620356265 /nfs/dbraw/zinc/35/62/65/620356265.db2.gz IDVIHXQJNMJAEI-UHFFFAOYSA-N 2 2 267.442 2.993 20 30 CFEDLP C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902894173 621201458 /nfs/dbraw/zinc/20/14/58/621201458.db2.gz JHLPXLVLRINTNU-LSDHHAIUSA-N 2 2 285.391 2.708 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000904462541 621597436 /nfs/dbraw/zinc/59/74/36/621597436.db2.gz VQAUOVANOUGHRY-RTBURBONSA-N 2 2 294.398 2.966 20 30 CFEDLP N#CC1CCC(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000929803817 623746451 /nfs/dbraw/zinc/74/64/51/623746451.db2.gz ODVAFFQNMPHPBV-UHFFFAOYSA-N 2 2 272.396 2.919 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921486058 624911983 /nfs/dbraw/zinc/91/19/83/624911983.db2.gz BWTZZXRYOFOTEH-INIZCTEOSA-N 2 2 271.408 2.749 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921486058 624911986 /nfs/dbraw/zinc/91/19/86/624911986.db2.gz BWTZZXRYOFOTEH-INIZCTEOSA-N 2 2 271.408 2.749 20 30 CFEDLP CC(C)[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921498709 625242940 /nfs/dbraw/zinc/24/29/40/625242940.db2.gz LBGUGDOELKJMKO-UHFFFAOYSA-N 2 2 263.410 2.582 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766276014 627190122 /nfs/dbraw/zinc/19/01/22/627190122.db2.gz ZYFDBYCNFIMYIG-CVEARBPZSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766276014 627190123 /nfs/dbraw/zinc/19/01/23/627190123.db2.gz ZYFDBYCNFIMYIG-CVEARBPZSA-N 2 2 286.419 2.834 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2c(C)onc2CC)CC1 ZINC000769871278 627482743 /nfs/dbraw/zinc/48/27/43/627482743.db2.gz FXNMKHUPXVQQLX-GFCCVEGCSA-N 2 2 277.412 2.846 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000775573608 628041600 /nfs/dbraw/zinc/04/16/00/628041600.db2.gz IDVGWEDBNXNIGZ-QZTJIDSGSA-N 2 2 290.451 2.554 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000783293396 628697921 /nfs/dbraw/zinc/69/79/21/628697921.db2.gz GQJSNBKXDFCXIM-UHFFFAOYSA-N 2 2 298.434 2.840 20 30 CFEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000792292118 629418345 /nfs/dbraw/zinc/41/83/45/629418345.db2.gz TYSRREZVTZEIIE-UHFFFAOYSA-N 2 2 265.360 2.778 20 30 CFEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000792292118 629418348 /nfs/dbraw/zinc/41/83/48/629418348.db2.gz TYSRREZVTZEIIE-UHFFFAOYSA-N 2 2 265.360 2.778 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806137129 630771331 /nfs/dbraw/zinc/77/13/31/630771331.db2.gz HATVWEBCHSYMAM-CQSZACIVSA-N 2 2 291.826 2.962 20 30 CFEDLP C=C(Br)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000105453953 632135044 /nfs/dbraw/zinc/13/50/44/632135044.db2.gz DFOUGRBJEKHNSZ-UHFFFAOYSA-N 2 2 292.180 2.871 20 30 CFEDLP CC(C)=CCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000853673273 635069972 /nfs/dbraw/zinc/06/99/72/635069972.db2.gz CPCOVHYUHSPOPU-UHFFFAOYSA-N 2 2 275.396 2.741 20 30 CFEDLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866240769 638777642 /nfs/dbraw/zinc/77/76/42/638777642.db2.gz MXOWORAYVASSGI-UONOGXRCSA-N 2 2 287.407 2.646 20 30 CFEDLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866240769 638777645 /nfs/dbraw/zinc/77/76/45/638777645.db2.gz MXOWORAYVASSGI-UONOGXRCSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866336551 638798402 /nfs/dbraw/zinc/79/84/02/638798402.db2.gz LFWFXXQEENJNQF-CYBMUJFWSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(C#N)c1O ZINC000866370090 638807457 /nfs/dbraw/zinc/80/74/57/638807457.db2.gz SAPGXKNLIWBSFY-CYBMUJFWSA-N 2 2 287.407 2.789 20 30 CFEDLP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C#N)c1O ZINC000866370090 638807459 /nfs/dbraw/zinc/80/74/59/638807459.db2.gz SAPGXKNLIWBSFY-CYBMUJFWSA-N 2 2 287.407 2.789 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000876837307 643033385 /nfs/dbraw/zinc/03/33/85/643033385.db2.gz CINFEZPTAXEXHX-HNNXBMFYSA-N 2 2 286.423 2.790 20 30 CFEDLP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1C#N ZINC000880475157 644727896 /nfs/dbraw/zinc/72/78/96/644727896.db2.gz BEHXSNNRIDVODI-UHFFFAOYSA-N 2 2 283.419 2.927 20 30 CFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCO1 ZINC000883188220 645650430 /nfs/dbraw/zinc/65/04/30/645650430.db2.gz GTFJHZBRESDLBM-YESZJQIVSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCCO1 ZINC000883188220 645650433 /nfs/dbraw/zinc/65/04/33/645650433.db2.gz GTFJHZBRESDLBM-YESZJQIVSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCCO1 ZINC000883234015 645682716 /nfs/dbraw/zinc/68/27/16/645682716.db2.gz UWAZJFRNOOMEDM-OWCLPIDISA-N 2 2 280.456 2.963 20 30 CFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCCO1 ZINC000883234015 645682721 /nfs/dbraw/zinc/68/27/21/645682721.db2.gz UWAZJFRNOOMEDM-OWCLPIDISA-N 2 2 280.456 2.963 20 30 CFEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)N1CCCCCC1 ZINC000305047216 651041888 /nfs/dbraw/zinc/04/18/88/651041888.db2.gz FWKNAEJSROIXEU-UHFFFAOYSA-N 2 2 297.406 2.563 20 30 CFEDLP C=C(Cl)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886659115 647093593 /nfs/dbraw/zinc/09/35/93/647093593.db2.gz CZIXYODTBUYZGI-UHFFFAOYSA-N 2 2 253.777 2.958 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000924668313 648023584 /nfs/dbraw/zinc/02/35/84/648023584.db2.gz SXESZTDRXSBJHT-CQSZACIVSA-N 2 2 251.418 2.636 20 30 CFEDLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(C#N)c1O ZINC000924712761 648034029 /nfs/dbraw/zinc/03/40/29/648034029.db2.gz JSMWYBOBIWLFDH-MRXNPFEDSA-N 2 2 298.390 2.900 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608701 648237180 /nfs/dbraw/zinc/23/71/80/648237180.db2.gz HZBGMEJYBPMDNS-GOEBONIOSA-N 3 2 279.472 2.523 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000925620727 648244209 /nfs/dbraw/zinc/24/42/09/648244209.db2.gz XWHCXLVKASUQIV-WBVHZDCISA-N 2 2 299.418 2.742 20 30 CFEDLP CSc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1C#N ZINC000925773865 648317795 /nfs/dbraw/zinc/31/77/95/648317795.db2.gz PYNRBWKWBWDXJV-SWLSCSKDSA-N 2 2 289.448 2.900 20 30 CFEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926512599 648516008 /nfs/dbraw/zinc/51/60/08/648516008.db2.gz HXOYPTUPFZSEQN-CAOSSQGBSA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926512599 648516012 /nfs/dbraw/zinc/51/60/12/648516012.db2.gz HXOYPTUPFZSEQN-CAOSSQGBSA-N 2 2 261.413 2.675 20 30 CFEDLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1O ZINC000926538874 648524043 /nfs/dbraw/zinc/52/40/43/648524043.db2.gz DULRAKRLOAPUJJ-UCMJJCQDSA-N 2 2 299.418 2.930 20 30 CFEDLP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1O ZINC000926538874 648524048 /nfs/dbraw/zinc/52/40/48/648524048.db2.gz DULRAKRLOAPUJJ-UCMJJCQDSA-N 2 2 299.418 2.930 20 30 CFEDLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1O ZINC000926538873 648524115 /nfs/dbraw/zinc/52/41/15/648524115.db2.gz DULRAKRLOAPUJJ-BTFYYFJDSA-N 2 2 299.418 2.930 20 30 CFEDLP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1O ZINC000926538873 648524117 /nfs/dbraw/zinc/52/41/17/648524117.db2.gz DULRAKRLOAPUJJ-BTFYYFJDSA-N 2 2 299.418 2.930 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000328030757 775695328 /nfs/dbraw/zinc/69/53/28/775695328.db2.gz VGNBUKLXLJOZCA-HNNXBMFYSA-N 2 2 274.408 2.609 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000328030757 775695334 /nfs/dbraw/zinc/69/53/34/775695334.db2.gz VGNBUKLXLJOZCA-HNNXBMFYSA-N 2 2 274.408 2.609 20 30 CFEDLP C=CCC[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001268073888 776539857 /nfs/dbraw/zinc/53/98/57/776539857.db2.gz CBNXBUVZOZVMBL-AWEZNQCLSA-N 2 2 289.423 2.633 20 30 CFEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCC1 ZINC001167958673 777278518 /nfs/dbraw/zinc/27/85/18/777278518.db2.gz HWCMZZBZNAOMIA-MQVJKMGUSA-N 2 2 273.424 2.675 20 30 CFEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCC1 ZINC001167958673 777278523 /nfs/dbraw/zinc/27/85/23/777278523.db2.gz HWCMZZBZNAOMIA-MQVJKMGUSA-N 2 2 273.424 2.675 20 30 CFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235017832 778355867 /nfs/dbraw/zinc/35/58/67/778355867.db2.gz PVWFGEUEAHRWIR-IXDOHACOSA-N 2 2 260.425 2.973 20 30 CFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC001235017832 778355871 /nfs/dbraw/zinc/35/58/71/778355871.db2.gz PVWFGEUEAHRWIR-IXDOHACOSA-N 2 2 260.425 2.973 20 30 CFEDLP N#Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1F ZINC001235895601 778595889 /nfs/dbraw/zinc/59/58/89/778595889.db2.gz OFTWJZIDWVDAIE-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1F ZINC001235895601 778595890 /nfs/dbraw/zinc/59/58/90/778595890.db2.gz OFTWJZIDWVDAIE-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP C=CC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001235961404 778629951 /nfs/dbraw/zinc/62/99/51/778629951.db2.gz CQSQFCITTMRVOJ-INIZCTEOSA-N 2 2 274.408 2.789 20 30 CFEDLP C=CC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)Cc1ccccc1 ZINC001235961404 778629952 /nfs/dbraw/zinc/62/99/52/778629952.db2.gz CQSQFCITTMRVOJ-INIZCTEOSA-N 2 2 274.408 2.789 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC001236093406 778687325 /nfs/dbraw/zinc/68/73/25/778687325.db2.gz HGHJOJBHXRSPOK-UZLBHIALSA-N 2 2 290.410 2.865 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C[C@@H]1[NH3+] ZINC001236093406 778687329 /nfs/dbraw/zinc/68/73/29/778687329.db2.gz HGHJOJBHXRSPOK-UZLBHIALSA-N 2 2 290.410 2.865 20 30 CFEDLP C=CCc1cccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1O ZINC001236240540 778749117 /nfs/dbraw/zinc/74/91/17/778749117.db2.gz QDJQXZWMGQATKM-QGZVFWFLSA-N 2 2 286.419 2.837 20 30 CFEDLP C=CCc1cccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1O ZINC001236240540 778749122 /nfs/dbraw/zinc/74/91/22/778749122.db2.gz QDJQXZWMGQATKM-QGZVFWFLSA-N 2 2 286.419 2.837 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000695787366 778856022 /nfs/dbraw/zinc/85/60/22/778856022.db2.gz MGZHPFJXJHDXNM-KBPBESRZSA-N 2 2 251.418 2.779 20 30 CFEDLP N#Cc1cccc(CCC[N@@H+](CC[NH3+])Cc2ccccc2)c1 ZINC001236522061 778857998 /nfs/dbraw/zinc/85/79/98/778857998.db2.gz KNAVLXJHJFFTJE-UHFFFAOYSA-N 2 2 293.414 2.952 20 30 CFEDLP N#Cc1cccc(CCC[N@H+](CC[NH3+])Cc2ccccc2)c1 ZINC001236522061 778858007 /nfs/dbraw/zinc/85/80/07/778858007.db2.gz KNAVLXJHJFFTJE-UHFFFAOYSA-N 2 2 293.414 2.952 20 30 CFEDLP C=CCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237144532 779025788 /nfs/dbraw/zinc/02/57/88/779025788.db2.gz VMLGFGCMBIMZBB-MRXNPFEDSA-N 2 2 266.429 2.577 20 30 CFEDLP C=CCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237144532 779025792 /nfs/dbraw/zinc/02/57/92/779025792.db2.gz VMLGFGCMBIMZBB-MRXNPFEDSA-N 2 2 266.429 2.577 20 30 CFEDLP C=CC[NH2+]CC[NH+]1CCC2(CCNc3ccccc32)CC1 ZINC001237318600 779075172 /nfs/dbraw/zinc/07/51/72/779075172.db2.gz GATUFOYZTXYYJE-UHFFFAOYSA-N 2 2 285.435 2.611 20 30 CFEDLP N#Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001240161108 779981026 /nfs/dbraw/zinc/98/10/26/779981026.db2.gz XJZBXCFDXGLCNU-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001240161108 779981029 /nfs/dbraw/zinc/98/10/29/779981029.db2.gz XJZBXCFDXGLCNU-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP C#Cc1cccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241919274 781181688 /nfs/dbraw/zinc/18/16/88/781181688.db2.gz DJMIAELEYOOELH-LJQANCHMSA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1cccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241919274 781181693 /nfs/dbraw/zinc/18/16/93/781181693.db2.gz DJMIAELEYOOELH-LJQANCHMSA-N 2 2 276.383 2.868 20 30 CFEDLP Cc1cc(-c2ccc(N3CC[NH2+]CC3)c(C#N)c2)cc(C)[nH+]1 ZINC001241992612 781220233 /nfs/dbraw/zinc/22/02/33/781220233.db2.gz TUFJUQCZNLBXET-UHFFFAOYSA-N 2 2 292.386 2.647 20 30 CFEDLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(C#N)cc1 ZINC000594914197 349504353 /nfs/dbraw/zinc/50/43/53/349504353.db2.gz FCPWPBCADMJDBR-GFCCVEGCSA-N 2 2 266.348 2.552 20 30 CFEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594914825 349504379 /nfs/dbraw/zinc/50/43/79/349504379.db2.gz MAULTDZHOUAMRM-AWEZNQCLSA-N 2 2 280.375 2.617 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000594962877 349532152 /nfs/dbraw/zinc/53/21/52/349532152.db2.gz MOTLMBUMHDHHBE-ZDUSSCGKSA-N 2 2 251.418 2.779 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000594962877 349532154 /nfs/dbraw/zinc/53/21/54/349532154.db2.gz MOTLMBUMHDHHBE-ZDUSSCGKSA-N 2 2 251.418 2.779 20 30 CFEDLP C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000595385914 349613156 /nfs/dbraw/zinc/61/31/56/349613156.db2.gz AVQFWURWGGYRIQ-MAUKXSAKSA-N 2 2 294.402 2.880 20 30 CFEDLP C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000595385914 349613161 /nfs/dbraw/zinc/61/31/61/349613161.db2.gz AVQFWURWGGYRIQ-MAUKXSAKSA-N 2 2 294.402 2.880 20 30 CFEDLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595888534 349762337 /nfs/dbraw/zinc/76/23/37/349762337.db2.gz OCCYVYQFUOZVTE-ZYHUDNBSSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595888534 349762339 /nfs/dbraw/zinc/76/23/39/349762339.db2.gz OCCYVYQFUOZVTE-ZYHUDNBSSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595895972 349764373 /nfs/dbraw/zinc/76/43/73/349764373.db2.gz XPIBINMAFHLEOR-CQSZACIVSA-N 2 2 297.324 2.748 20 30 CFEDLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595895972 349764377 /nfs/dbraw/zinc/76/43/77/349764377.db2.gz XPIBINMAFHLEOR-CQSZACIVSA-N 2 2 297.324 2.748 20 30 CFEDLP N#C[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000596649373 349967579 /nfs/dbraw/zinc/96/75/79/349967579.db2.gz ZLGZDQNJAPGCQI-DZJNRPSUSA-N 2 2 283.419 2.804 20 30 CFEDLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000596654926 349969214 /nfs/dbraw/zinc/96/92/14/349969214.db2.gz NWYXAPJMSLZDTJ-BLLLJJGKSA-N 2 2 257.381 2.523 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000080961587 347389763 /nfs/dbraw/zinc/38/97/63/347389763.db2.gz JCMLQIIARLZJQJ-CQSZACIVSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000080961587 347389764 /nfs/dbraw/zinc/38/97/64/347389764.db2.gz JCMLQIIARLZJQJ-CQSZACIVSA-N 2 2 284.338 2.800 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)C1CC1 ZINC000090917478 347562748 /nfs/dbraw/zinc/56/27/48/347562748.db2.gz WPHJCAIQLQQRNN-ZACQAIPSSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)C1CC1 ZINC000090917478 347562750 /nfs/dbraw/zinc/56/27/50/347562750.db2.gz WPHJCAIQLQQRNN-ZACQAIPSSA-N 2 2 278.440 2.574 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073088 347609207 /nfs/dbraw/zinc/60/92/07/347609207.db2.gz IGRRLUAITKIIPP-MRXNPFEDSA-N 2 2 295.386 2.801 20 30 CFEDLP C#CCOc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073088 347609208 /nfs/dbraw/zinc/60/92/08/347609208.db2.gz IGRRLUAITKIIPP-MRXNPFEDSA-N 2 2 295.386 2.801 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(C)[nH+]cn1)C(C)C ZINC000110127723 347747971 /nfs/dbraw/zinc/74/79/71/347747971.db2.gz LVZCEYCYRIIBAX-HNNXBMFYSA-N 2 2 274.412 2.896 20 30 CFEDLP C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248546789 348274258 /nfs/dbraw/zinc/27/42/58/348274258.db2.gz DZESIXAWNHOUCB-ARFHVFGLSA-N 2 2 288.439 2.673 20 30 CFEDLP C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248546789 348274260 /nfs/dbraw/zinc/27/42/60/348274260.db2.gz DZESIXAWNHOUCB-ARFHVFGLSA-N 2 2 288.439 2.673 20 30 CFEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000328388058 348440725 /nfs/dbraw/zinc/44/07/25/348440725.db2.gz XBHGLYCDPVVPJX-CZUORRHYSA-N 2 2 257.381 2.693 20 30 CFEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000328388058 348440728 /nfs/dbraw/zinc/44/07/28/348440728.db2.gz XBHGLYCDPVVPJX-CZUORRHYSA-N 2 2 257.381 2.693 20 30 CFEDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@@H](C#N)C3)cn21 ZINC000592402559 349116741 /nfs/dbraw/zinc/11/67/41/349116741.db2.gz JCNJSCRJDBJUDK-HUUCEWRRSA-N 2 2 282.391 2.857 20 30 CFEDLP C=CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1cccc(C#N)c1 ZINC000596999646 350014450 /nfs/dbraw/zinc/01/44/50/350014450.db2.gz GISVVBINBAWXLR-UHFFFAOYSA-N 2 2 280.375 2.788 20 30 CFEDLP C=CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1cccc(C#N)c1 ZINC000596999646 350014452 /nfs/dbraw/zinc/01/44/52/350014452.db2.gz GISVVBINBAWXLR-UHFFFAOYSA-N 2 2 280.375 2.788 20 30 CFEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)[C@@H]2C1 ZINC000597077688 350024844 /nfs/dbraw/zinc/02/48/44/350024844.db2.gz WVVINCOCRTXBGB-FUHWJXTLSA-N 2 2 295.430 2.768 20 30 CFEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)[C@@H]2C1 ZINC000597077688 350024847 /nfs/dbraw/zinc/02/48/47/350024847.db2.gz WVVINCOCRTXBGB-FUHWJXTLSA-N 2 2 295.430 2.768 20 30 CFEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@@H]2C1 ZINC000597077688 350024851 /nfs/dbraw/zinc/02/48/51/350024851.db2.gz WVVINCOCRTXBGB-FUHWJXTLSA-N 2 2 295.430 2.768 20 30 CFEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@@H]2C1 ZINC000597077688 350024855 /nfs/dbraw/zinc/02/48/55/350024855.db2.gz WVVINCOCRTXBGB-FUHWJXTLSA-N 2 2 295.430 2.768 20 30 CFEDLP N#Cc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)cc1 ZINC000598918744 350346755 /nfs/dbraw/zinc/34/67/55/350346755.db2.gz YVGHGLDPTBLVTO-UHFFFAOYSA-N 2 2 293.361 2.625 20 30 CFEDLP C[C@@H](C[NH2+]Cc1cccc(F)c1C#N)C[NH+]1CCCC1 ZINC000602005171 350827944 /nfs/dbraw/zinc/82/79/44/350827944.db2.gz NFPTWGAZIGQIDV-ZDUSSCGKSA-N 2 2 275.371 2.519 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000602514295 350910971 /nfs/dbraw/zinc/91/09/71/350910971.db2.gz JAPODNVTNFSFHV-FXQLRMTLSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000602514295 350910976 /nfs/dbraw/zinc/91/09/76/350910976.db2.gz JAPODNVTNFSFHV-FXQLRMTLSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000602514299 350911449 /nfs/dbraw/zinc/91/14/49/350911449.db2.gz JAPODNVTNFSFHV-QVOMUQBLSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000602514299 350911453 /nfs/dbraw/zinc/91/14/53/350911453.db2.gz JAPODNVTNFSFHV-QVOMUQBLSA-N 2 2 263.429 2.779 20 30 CFEDLP C[N@H+](CC[NH2+]C1CCC(C#N)CC1)Cc1ccccc1 ZINC000602524859 350914051 /nfs/dbraw/zinc/91/40/51/350914051.db2.gz GINQDQDJNUROCT-UHFFFAOYSA-N 2 2 271.408 2.790 20 30 CFEDLP C[N@@H+](CC[NH2+]C1CCC(C#N)CC1)Cc1ccccc1 ZINC000602524859 350914054 /nfs/dbraw/zinc/91/40/54/350914054.db2.gz GINQDQDJNUROCT-UHFFFAOYSA-N 2 2 271.408 2.790 20 30 CFEDLP N#CC1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000602710479 350992878 /nfs/dbraw/zinc/99/28/78/350992878.db2.gz LOXJQKKSPDMBGD-FJBKBRRZSA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000602710479 350992882 /nfs/dbraw/zinc/99/28/82/350992882.db2.gz LOXJQKKSPDMBGD-FJBKBRRZSA-N 2 2 261.413 2.675 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000609258031 351494025 /nfs/dbraw/zinc/49/40/25/351494025.db2.gz JBPFOWBWJVGEBZ-HNNXBMFYSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000609258031 351494027 /nfs/dbraw/zinc/49/40/27/351494027.db2.gz JBPFOWBWJVGEBZ-HNNXBMFYSA-N 2 2 284.338 2.731 20 30 CFEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611268145 351661278 /nfs/dbraw/zinc/66/12/78/351661278.db2.gz UCPUUSWSPCCLNU-AWEZNQCLSA-N 2 2 260.385 2.850 20 30 CFEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611268145 351661279 /nfs/dbraw/zinc/66/12/79/351661279.db2.gz UCPUUSWSPCCLNU-AWEZNQCLSA-N 2 2 260.385 2.850 20 30 CFEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611235432 351654256 /nfs/dbraw/zinc/65/42/56/351654256.db2.gz SLUACZXSGUHFSN-MRXNPFEDSA-N 2 2 296.374 2.600 20 30 CFEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611235432 351654259 /nfs/dbraw/zinc/65/42/59/351654259.db2.gz SLUACZXSGUHFSN-MRXNPFEDSA-N 2 2 296.374 2.600 20 30 CFEDLP CC(C)[NH2+][C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000612099107 351774446 /nfs/dbraw/zinc/77/44/46/351774446.db2.gz NNMMXTKQWMFZLI-KRWDZBQOSA-N 2 2 271.408 2.715 20 30 CFEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000612099107 351774450 /nfs/dbraw/zinc/77/44/50/351774450.db2.gz NNMMXTKQWMFZLI-KRWDZBQOSA-N 2 2 271.408 2.715 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000614397421 352089420 /nfs/dbraw/zinc/08/94/20/352089420.db2.gz SDUWIKUNVYPSIC-QGZVFWFLSA-N 2 2 280.375 2.900 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000614397421 352089421 /nfs/dbraw/zinc/08/94/21/352089421.db2.gz SDUWIKUNVYPSIC-QGZVFWFLSA-N 2 2 280.375 2.900 20 30 CFEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000619621278 353040999 /nfs/dbraw/zinc/04/09/99/353040999.db2.gz JCXCELTXWUHMRV-MRXNPFEDSA-N 2 2 293.455 2.549 20 30 CFEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000619621278 353041003 /nfs/dbraw/zinc/04/10/03/353041003.db2.gz JCXCELTXWUHMRV-MRXNPFEDSA-N 2 2 293.455 2.549 20 30 CFEDLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000619672830 353047667 /nfs/dbraw/zinc/04/76/67/353047667.db2.gz KNKRGGXMRFPORY-OIISXLGYSA-N 2 2 294.402 2.986 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154131680 188125408 /nfs/dbraw/zinc/12/54/08/188125408.db2.gz PVCDRBCQWNNHCD-KRWDZBQOSA-N 2 2 288.410 2.841 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154131680 188125410 /nfs/dbraw/zinc/12/54/10/188125410.db2.gz PVCDRBCQWNNHCD-KRWDZBQOSA-N 2 2 288.410 2.841 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622006207 353465504 /nfs/dbraw/zinc/46/55/04/353465504.db2.gz WJRZVPDNULNRHB-NVXWUHKLSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622006207 353465506 /nfs/dbraw/zinc/46/55/06/353465506.db2.gz WJRZVPDNULNRHB-NVXWUHKLSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622005809 353465523 /nfs/dbraw/zinc/46/55/23/353465523.db2.gz MRWMACVMPLPKLF-RDJZCZTQSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622005809 353465526 /nfs/dbraw/zinc/46/55/26/353465526.db2.gz MRWMACVMPLPKLF-RDJZCZTQSA-N 2 2 272.392 2.565 20 30 CFEDLP C=C(CC)C[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626089073 354189691 /nfs/dbraw/zinc/18/96/91/354189691.db2.gz ZISLMAKWEQRESL-UHFFFAOYSA-N 2 2 266.429 2.529 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)C(C)C ZINC000631039037 355260303 /nfs/dbraw/zinc/26/03/03/355260303.db2.gz BEFKCOQFJWOTTP-MRXNPFEDSA-N 2 2 289.423 2.575 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(C(C)C)c2)CC1 ZINC000171841739 540355505 /nfs/dbraw/zinc/35/55/05/540355505.db2.gz NMVOTKMOCCAZKG-UHFFFAOYSA-N 2 2 276.428 2.594 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000294924386 199251854 /nfs/dbraw/zinc/25/18/54/199251854.db2.gz HACKIFQFDSXBBB-GFCCVEGCSA-N 2 2 266.335 2.571 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000294924386 199251856 /nfs/dbraw/zinc/25/18/56/199251856.db2.gz HACKIFQFDSXBBB-GFCCVEGCSA-N 2 2 266.335 2.571 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC=C)CC2)cc1 ZINC000177907579 189078129 /nfs/dbraw/zinc/07/81/29/189078129.db2.gz VSDBGPPPOJTWAA-MRXNPFEDSA-N 2 2 298.430 3.000 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000178179036 189095501 /nfs/dbraw/zinc/09/55/01/189095501.db2.gz RUVJFZSQNCKRGN-XEZPLFJOSA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000178179036 189095502 /nfs/dbraw/zinc/09/55/02/189095502.db2.gz RUVJFZSQNCKRGN-XEZPLFJOSA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCc1c[nH+]cn1C ZINC000425535237 239093718 /nfs/dbraw/zinc/09/37/18/239093718.db2.gz NCQMURSDDITHPC-CYBMUJFWSA-N 2 2 268.364 2.527 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000425535237 239093723 /nfs/dbraw/zinc/09/37/23/239093723.db2.gz NCQMURSDDITHPC-CYBMUJFWSA-N 2 2 268.364 2.527 20 30 CFEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1Cl ZINC000666945500 541164769 /nfs/dbraw/zinc/16/47/69/541164769.db2.gz SZRBORZAUJBTHF-STQMWFEESA-N 2 2 298.789 2.694 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000361465048 261281293 /nfs/dbraw/zinc/28/12/93/261281293.db2.gz TXGKUVORNJWBQU-KFWWJZLASA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000361465048 261281295 /nfs/dbraw/zinc/28/12/95/261281295.db2.gz TXGKUVORNJWBQU-KFWWJZLASA-N 2 2 261.413 2.675 20 30 CFEDLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000092165878 375093717 /nfs/dbraw/zinc/09/37/17/375093717.db2.gz ZETKUNSOSPTQTC-UHFFFAOYSA-N 2 2 277.437 2.926 20 30 CFEDLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000092165878 375093721 /nfs/dbraw/zinc/09/37/21/375093721.db2.gz ZETKUNSOSPTQTC-UHFFFAOYSA-N 2 2 277.437 2.926 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccs2)CC1 ZINC000106245903 375795642 /nfs/dbraw/zinc/79/56/42/375795642.db2.gz RFKQRADRRPDZEV-UHFFFAOYSA-N 2 2 250.411 2.878 20 30 CFEDLP C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000118842450 376319898 /nfs/dbraw/zinc/31/98/98/376319898.db2.gz RZFSXZOVEPURHI-OAHLLOKOSA-N 2 2 296.418 2.585 20 30 CFEDLP C[N@H+](Cc1cn2ccccc2c1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000118842450 376319902 /nfs/dbraw/zinc/31/99/02/376319902.db2.gz RZFSXZOVEPURHI-OAHLLOKOSA-N 2 2 296.418 2.585 20 30 CFEDLP C[NH+](Cc1cn2ccccc2c1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842450 376319905 /nfs/dbraw/zinc/31/99/05/376319905.db2.gz RZFSXZOVEPURHI-OAHLLOKOSA-N 2 2 296.418 2.585 20 30 CFEDLP C[NH+](Cc1cn2ccccc2c1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842450 376319909 /nfs/dbraw/zinc/31/99/09/376319909.db2.gz RZFSXZOVEPURHI-OAHLLOKOSA-N 2 2 296.418 2.585 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000119042723 376342105 /nfs/dbraw/zinc/34/21/05/376342105.db2.gz WAUHRSVHONTOIB-UHFFFAOYSA-N 2 2 280.375 2.935 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000130497163 377569083 /nfs/dbraw/zinc/56/90/83/377569083.db2.gz IQFGYVNWXABCQM-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000130497163 377569090 /nfs/dbraw/zinc/56/90/90/377569090.db2.gz IQFGYVNWXABCQM-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000130497163 377569095 /nfs/dbraw/zinc/56/90/95/377569095.db2.gz IQFGYVNWXABCQM-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000130497163 377569100 /nfs/dbraw/zinc/56/91/00/377569100.db2.gz IQFGYVNWXABCQM-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC000130665698 377591976 /nfs/dbraw/zinc/59/19/76/377591976.db2.gz XFKJYLSLRGFONC-VXGBXAGGSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000130665698 377591982 /nfs/dbraw/zinc/59/19/82/377591982.db2.gz XFKJYLSLRGFONC-VXGBXAGGSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000130665698 377591989 /nfs/dbraw/zinc/59/19/89/377591989.db2.gz XFKJYLSLRGFONC-VXGBXAGGSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000130665698 377591995 /nfs/dbraw/zinc/59/19/95/377591995.db2.gz XFKJYLSLRGFONC-VXGBXAGGSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC000130666090 377592747 /nfs/dbraw/zinc/59/27/47/377592747.db2.gz XFKJYLSLRGFONC-NEPJUHHUSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000130666090 377592758 /nfs/dbraw/zinc/59/27/58/377592758.db2.gz XFKJYLSLRGFONC-NEPJUHHUSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000130666090 377592769 /nfs/dbraw/zinc/59/27/69/377592769.db2.gz XFKJYLSLRGFONC-NEPJUHHUSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000130666090 377592781 /nfs/dbraw/zinc/59/27/81/377592781.db2.gz XFKJYLSLRGFONC-NEPJUHHUSA-N 2 2 263.410 2.534 20 30 CFEDLP COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1C#N ZINC000332477373 378768409 /nfs/dbraw/zinc/76/84/09/378768409.db2.gz VKMNSKITCYWJLM-UHFFFAOYSA-N 2 2 296.374 2.670 20 30 CFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C)c1ccccc1Cl ZINC000170906433 379189524 /nfs/dbraw/zinc/18/95/24/379189524.db2.gz DXEBCRIKGUYHBI-AWEZNQCLSA-N 2 2 296.846 2.599 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C[C@H]1n1cc[nH+]c1 ZINC000334387248 379208155 /nfs/dbraw/zinc/20/81/55/379208155.db2.gz PFCROJGXSTZOFX-XJKSGUPXSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C[C@H]1n1cc[nH+]c1 ZINC000334387248 379208164 /nfs/dbraw/zinc/20/81/64/379208164.db2.gz PFCROJGXSTZOFX-XJKSGUPXSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)c(F)c1 ZINC000335727689 379792676 /nfs/dbraw/zinc/79/26/76/379792676.db2.gz GSSAURHOBBIDLE-GXFFZTMASA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)c(F)c1 ZINC000335727689 379792677 /nfs/dbraw/zinc/79/26/77/379792677.db2.gz GSSAURHOBBIDLE-GXFFZTMASA-N 2 2 284.338 2.629 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)o1 ZINC000174256256 379852553 /nfs/dbraw/zinc/85/25/53/379852553.db2.gz CWIDZSJVCSNQLW-UHFFFAOYSA-N 2 2 295.386 2.689 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)o1 ZINC000174256256 379852562 /nfs/dbraw/zinc/85/25/62/379852562.db2.gz CWIDZSJVCSNQLW-UHFFFAOYSA-N 2 2 295.386 2.689 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1[nH+]ccn1C)C(C)C ZINC000182371484 381075363 /nfs/dbraw/zinc/07/53/63/381075363.db2.gz MMLNETXDXWRDBE-JKSUJKDBSA-N 2 2 290.455 2.769 20 30 CFEDLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000290533576 381469947 /nfs/dbraw/zinc/46/99/47/381469947.db2.gz QUVCNMIOJQSCNA-UHFFFAOYSA-N 2 2 265.426 2.783 20 30 CFEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000290533576 381469952 /nfs/dbraw/zinc/46/99/52/381469952.db2.gz QUVCNMIOJQSCNA-UHFFFAOYSA-N 2 2 265.426 2.783 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000342810136 381559161 /nfs/dbraw/zinc/55/91/61/381559161.db2.gz OUGTXQZAHHVHDI-SUMWQHHRSA-N 2 2 281.403 2.620 20 30 CFEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000342810136 381559167 /nfs/dbraw/zinc/55/91/67/381559167.db2.gz OUGTXQZAHHVHDI-SUMWQHHRSA-N 2 2 281.403 2.620 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000359866984 381649513 /nfs/dbraw/zinc/64/95/13/381649513.db2.gz GSCBJDUNWRENIU-YQQAZPJKSA-N 2 2 256.393 2.823 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000359866984 381649525 /nfs/dbraw/zinc/64/95/25/381649525.db2.gz GSCBJDUNWRENIU-YQQAZPJKSA-N 2 2 256.393 2.823 20 30 CFEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(C#N)CC1 ZINC000343322405 381674711 /nfs/dbraw/zinc/67/47/11/381674711.db2.gz QHYXKKAHSLRTNG-UHFFFAOYSA-N 2 2 298.434 2.924 20 30 CFEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(C#N)CC1 ZINC000343322405 381674715 /nfs/dbraw/zinc/67/47/15/381674715.db2.gz QHYXKKAHSLRTNG-UHFFFAOYSA-N 2 2 298.434 2.924 20 30 CFEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC000343607070 381835770 /nfs/dbraw/zinc/83/57/70/381835770.db2.gz RRZIHDGYBHWVQD-UHFFFAOYSA-N 2 2 263.410 2.537 20 30 CFEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC000343607070 381835773 /nfs/dbraw/zinc/83/57/73/381835773.db2.gz RRZIHDGYBHWVQD-UHFFFAOYSA-N 2 2 263.410 2.537 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC34CC4)CC2)cc1 ZINC000417337993 382044666 /nfs/dbraw/zinc/04/46/66/382044666.db2.gz MIONSDMBLNKNEU-QGZVFWFLSA-N 2 2 295.430 2.912 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC34CC4)CC2)cc1 ZINC000417337990 382045237 /nfs/dbraw/zinc/04/52/37/382045237.db2.gz MIONSDMBLNKNEU-KRWDZBQOSA-N 2 2 295.430 2.912 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000374402063 382045532 /nfs/dbraw/zinc/04/55/32/382045532.db2.gz SBGQLMUYBZEPGV-QRQLOZEOSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000374402063 382045535 /nfs/dbraw/zinc/04/55/35/382045535.db2.gz SBGQLMUYBZEPGV-QRQLOZEOSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000374402063 382045539 /nfs/dbraw/zinc/04/55/39/382045539.db2.gz SBGQLMUYBZEPGV-QRQLOZEOSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000374402063 382045546 /nfs/dbraw/zinc/04/55/46/382045546.db2.gz SBGQLMUYBZEPGV-QRQLOZEOSA-N 2 2 298.405 2.593 20 30 CFEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000344091159 382122066 /nfs/dbraw/zinc/12/20/66/382122066.db2.gz QUBHKIXEPCYMMU-OIISXLGYSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000344091159 382122072 /nfs/dbraw/zinc/12/20/72/382122072.db2.gz QUBHKIXEPCYMMU-OIISXLGYSA-N 2 2 271.408 2.789 20 30 CFEDLP C=CCCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000364189047 382279742 /nfs/dbraw/zinc/27/97/42/382279742.db2.gz IDEJZXXMXZQPQL-UHFFFAOYSA-N 2 2 273.424 2.992 20 30 CFEDLP N#Cc1cccc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000378058985 382391790 /nfs/dbraw/zinc/39/17/90/382391790.db2.gz MOUYOIJWRMCIPA-UHFFFAOYSA-N 2 2 296.374 2.540 20 30 CFEDLP C=CCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000352929090 382483400 /nfs/dbraw/zinc/48/34/00/382483400.db2.gz GCCVSMDGJXDUDJ-DOTOQJQBSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000352929090 382483402 /nfs/dbraw/zinc/48/34/02/382483402.db2.gz GCCVSMDGJXDUDJ-DOTOQJQBSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000352929090 382483406 /nfs/dbraw/zinc/48/34/06/382483406.db2.gz GCCVSMDGJXDUDJ-DOTOQJQBSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000352929090 382483409 /nfs/dbraw/zinc/48/34/09/382483409.db2.gz GCCVSMDGJXDUDJ-DOTOQJQBSA-N 2 2 286.419 2.777 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000294981031 382558817 /nfs/dbraw/zinc/55/88/17/382558817.db2.gz KQPSEANDPRGAMB-IBGZPJMESA-N 2 2 293.414 2.716 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000294981031 382558820 /nfs/dbraw/zinc/55/88/20/382558820.db2.gz KQPSEANDPRGAMB-IBGZPJMESA-N 2 2 293.414 2.716 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000367308377 382564415 /nfs/dbraw/zinc/56/44/15/382564415.db2.gz OPLVHBUSXVBLLP-KRWDZBQOSA-N 2 2 265.360 2.702 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC000578099984 382891691 /nfs/dbraw/zinc/89/16/91/382891691.db2.gz SGHLVZAXWKJMLT-UHFFFAOYSA-N 2 2 262.397 2.635 20 30 CFEDLP C=CCOc1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC000578099984 382891696 /nfs/dbraw/zinc/89/16/96/382891696.db2.gz SGHLVZAXWKJMLT-UHFFFAOYSA-N 2 2 262.397 2.635 20 30 CFEDLP C#CCCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000246250681 383069511 /nfs/dbraw/zinc/06/95/11/383069511.db2.gz PKEUXZALOQEDKM-DOTOQJQBSA-N 2 2 256.393 2.825 20 30 CFEDLP C#CCCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000246250681 383069515 /nfs/dbraw/zinc/06/95/15/383069515.db2.gz PKEUXZALOQEDKM-DOTOQJQBSA-N 2 2 256.393 2.825 20 30 CFEDLP C=C(C)COCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246609301 383086816 /nfs/dbraw/zinc/08/68/16/383086816.db2.gz URCHOIOICRUOCQ-FUHWJXTLSA-N 2 2 288.435 2.689 20 30 CFEDLP C=C(C)COCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246609301 383086819 /nfs/dbraw/zinc/08/68/19/383086819.db2.gz URCHOIOICRUOCQ-FUHWJXTLSA-N 2 2 288.435 2.689 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247452395 383173871 /nfs/dbraw/zinc/17/38/71/383173871.db2.gz JHONGLBOUQTFHH-WMLDXEAASA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247452395 383173876 /nfs/dbraw/zinc/17/38/76/383173876.db2.gz JHONGLBOUQTFHH-WMLDXEAASA-N 2 2 280.375 2.838 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449123716 383179869 /nfs/dbraw/zinc/17/98/69/383179869.db2.gz OKBQDXZARKUCHJ-UHFFFAOYSA-N 2 2 271.364 2.568 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449393992 383261326 /nfs/dbraw/zinc/26/13/26/383261326.db2.gz DENFFGSLSUNLKL-HOTGVXAUSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449393992 383261330 /nfs/dbraw/zinc/26/13/30/383261330.db2.gz DENFFGSLSUNLKL-HOTGVXAUSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449396211 383262135 /nfs/dbraw/zinc/26/21/35/383262135.db2.gz KSIYIWYZHXGXFN-CVEARBPZSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449396211 383262137 /nfs/dbraw/zinc/26/21/37/383262137.db2.gz KSIYIWYZHXGXFN-CVEARBPZSA-N 2 2 268.445 2.558 20 30 CFEDLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000519857823 383242668 /nfs/dbraw/zinc/24/26/68/383242668.db2.gz BYTUITSRGCVQHL-GOEBONIOSA-N 2 2 275.440 2.923 20 30 CFEDLP C=CC[N@H+](Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261903923 383578237 /nfs/dbraw/zinc/57/82/37/383578237.db2.gz WOISOZWJKKTSPQ-INIZCTEOSA-N 2 2 262.372 2.813 20 30 CFEDLP C=CC[N@@H+](Cc1ccccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261903923 383578241 /nfs/dbraw/zinc/57/82/41/383578241.db2.gz WOISOZWJKKTSPQ-INIZCTEOSA-N 2 2 262.372 2.813 20 30 CFEDLP C[NH+](C/C=C\C[N@@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433324643 383761729 /nfs/dbraw/zinc/76/17/29/383761729.db2.gz FFERJBFINKVZBN-FPLPWBNLSA-N 2 2 276.428 2.506 20 30 CFEDLP C[NH+](C/C=C\C[N@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433324643 383761731 /nfs/dbraw/zinc/76/17/31/383761731.db2.gz FFERJBFINKVZBN-FPLPWBNLSA-N 2 2 276.428 2.506 20 30 CFEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000289396332 197327050 /nfs/dbraw/zinc/32/70/50/197327050.db2.gz OCWHXGSGSBRKOE-CYBMUJFWSA-N 2 2 276.811 2.916 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269425619 384758067 /nfs/dbraw/zinc/75/80/67/384758067.db2.gz NHUJDXIIPBMKQN-UHFFFAOYSA-N 2 2 287.382 2.827 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000289097680 197234049 /nfs/dbraw/zinc/23/40/49/197234049.db2.gz BXPQOCROOQBLFT-SFHVURJKSA-N 2 2 270.420 2.898 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cscn2)CC1 ZINC000271070139 385328149 /nfs/dbraw/zinc/32/81/49/385328149.db2.gz DZVCGRMRRDZNQF-LBPRGKRZSA-N 2 2 265.426 2.834 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn3cc(C)ccc3n2)CC1 ZINC000284050310 385529031 /nfs/dbraw/zinc/52/90/31/385529031.db2.gz SHMSFEGUJMNRJO-UHFFFAOYSA-N 2 2 298.434 2.773 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000281502333 195267782 /nfs/dbraw/zinc/26/77/82/195267782.db2.gz WSXRBMBGRSSMEX-UHFFFAOYSA-N 2 2 290.455 2.903 20 30 CFEDLP CC[NH+]1CCC([N@H+](CC#Cc2ccccc2)C2CC2)CC1 ZINC000373810454 393472816 /nfs/dbraw/zinc/47/28/16/393472816.db2.gz CCGBLNOTLCXICU-UHFFFAOYSA-N 2 2 282.431 2.987 20 30 CFEDLP CC[NH+]1CCC([N@@H+](CC#Cc2ccccc2)C2CC2)CC1 ZINC000373810454 393472831 /nfs/dbraw/zinc/47/28/31/393472831.db2.gz CCGBLNOTLCXICU-UHFFFAOYSA-N 2 2 282.431 2.987 20 30 CFEDLP C=CCOc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000195251201 393735926 /nfs/dbraw/zinc/73/59/26/393735926.db2.gz NVVSYPUFOWOCKP-HNNXBMFYSA-N 2 2 285.391 2.874 20 30 CFEDLP C=CCOCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000339082647 393816166 /nfs/dbraw/zinc/81/61/66/393816166.db2.gz WQSKVPONRXCDDD-UHFFFAOYSA-N 2 2 277.412 2.578 20 30 CFEDLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1CC[C@H](C#N)C1 ZINC000339103514 393819883 /nfs/dbraw/zinc/81/98/83/393819883.db2.gz SMBUKDSRPYHBBR-LEUOFYLZSA-N 2 2 298.434 2.698 20 30 CFEDLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1CC[C@H](C#N)C1 ZINC000339103514 393819887 /nfs/dbraw/zinc/81/98/87/393819887.db2.gz SMBUKDSRPYHBBR-LEUOFYLZSA-N 2 2 298.434 2.698 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@H]1CC[C@H](C#N)C1 ZINC000339103514 393819891 /nfs/dbraw/zinc/81/98/91/393819891.db2.gz SMBUKDSRPYHBBR-LEUOFYLZSA-N 2 2 298.434 2.698 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@H]1CC[C@H](C#N)C1 ZINC000339103514 393819893 /nfs/dbraw/zinc/81/98/93/393819893.db2.gz SMBUKDSRPYHBBR-LEUOFYLZSA-N 2 2 298.434 2.698 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C[C@H]1n1cc[nH+]c1 ZINC000245729124 393824915 /nfs/dbraw/zinc/82/49/15/393824915.db2.gz FACOMTLLLBHBAS-IUODEOHRSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@H]1n1cc[nH+]c1 ZINC000245729124 393824922 /nfs/dbraw/zinc/82/49/22/393824922.db2.gz FACOMTLLLBHBAS-IUODEOHRSA-N 2 2 286.404 2.899 20 30 CFEDLP C=C(C)[C@H](CO)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000684621145 542838521 /nfs/dbraw/zinc/83/85/21/542838521.db2.gz SZSPIDNUIMKMJA-SFHVURJKSA-N 2 2 299.418 2.919 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000349309381 393967436 /nfs/dbraw/zinc/96/74/36/393967436.db2.gz DIXSMWOHNCCUOG-SPUZQDLCSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000349309381 393967437 /nfs/dbraw/zinc/96/74/37/393967437.db2.gz DIXSMWOHNCCUOG-SPUZQDLCSA-N 2 2 283.419 2.931 20 30 CFEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000352405532 394014031 /nfs/dbraw/zinc/01/40/31/394014031.db2.gz IIMRNSQBSYRYTL-DLBZAZTESA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[N@H+](C)C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000352405532 394014036 /nfs/dbraw/zinc/01/40/36/394014036.db2.gz IIMRNSQBSYRYTL-DLBZAZTESA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[NH+](C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000352405532 394014038 /nfs/dbraw/zinc/01/40/38/394014038.db2.gz IIMRNSQBSYRYTL-DLBZAZTESA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000352405532 394014042 /nfs/dbraw/zinc/01/40/42/394014042.db2.gz IIMRNSQBSYRYTL-DLBZAZTESA-N 2 2 273.424 2.972 20 30 CFEDLP C#CCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282024181 394112882 /nfs/dbraw/zinc/11/28/82/394112882.db2.gz KMSZZKIHXUQRKT-HNNXBMFYSA-N 2 2 271.408 2.812 20 30 CFEDLP C#CCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282024181 394112886 /nfs/dbraw/zinc/11/28/86/394112886.db2.gz KMSZZKIHXUQRKT-HNNXBMFYSA-N 2 2 271.408 2.812 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423550922 394296501 /nfs/dbraw/zinc/29/65/01/394296501.db2.gz IPHSHODTRDSHMU-HZPDHXFCSA-N 2 2 257.381 2.741 20 30 CFEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1F ZINC000453359824 394390541 /nfs/dbraw/zinc/39/05/41/394390541.db2.gz QIKGFTYHPFYLSX-JZIBPQBNSA-N 2 2 287.382 2.973 20 30 CFEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)cc1F ZINC000453359824 394390543 /nfs/dbraw/zinc/39/05/43/394390543.db2.gz QIKGFTYHPFYLSX-JZIBPQBNSA-N 2 2 287.382 2.973 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000541904743 394691218 /nfs/dbraw/zinc/69/12/18/394691218.db2.gz CYAVQZZRSMBUBA-TZMCWYRMSA-N 2 2 275.371 2.690 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000541904743 394691224 /nfs/dbraw/zinc/69/12/24/394691224.db2.gz CYAVQZZRSMBUBA-TZMCWYRMSA-N 2 2 275.371 2.690 20 30 CFEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+]C1 ZINC000647872644 395448056 /nfs/dbraw/zinc/44/80/56/395448056.db2.gz MTXNHXAHCVLKSR-NSHDSACASA-N 2 2 270.829 2.999 20 30 CFEDLP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CC[NH2+]C1 ZINC000647872644 395448060 /nfs/dbraw/zinc/44/80/60/395448060.db2.gz MTXNHXAHCVLKSR-NSHDSACASA-N 2 2 270.829 2.999 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1 ZINC000423391481 287039192 /nfs/dbraw/zinc/03/91/92/287039192.db2.gz PMSHMBWJYJZGQH-CZUORRHYSA-N 2 2 271.408 2.987 20 30 CFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000651665357 413550565 /nfs/dbraw/zinc/55/05/65/413550565.db2.gz WVOKZDBJCJOUJP-BRWVUGGUSA-N 2 2 280.456 2.678 20 30 CFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000651665357 413550575 /nfs/dbraw/zinc/55/05/75/413550575.db2.gz WVOKZDBJCJOUJP-BRWVUGGUSA-N 2 2 280.456 2.678 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658018701 414104350 /nfs/dbraw/zinc/10/43/50/414104350.db2.gz FLEUOHPEKHSZGL-RDBSUJKOSA-N 2 2 259.397 2.992 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000658018701 414104361 /nfs/dbraw/zinc/10/43/61/414104361.db2.gz FLEUOHPEKHSZGL-RDBSUJKOSA-N 2 2 259.397 2.992 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000658026406 414113174 /nfs/dbraw/zinc/11/31/74/414113174.db2.gz UEXXOTSODBCKED-ZACQAIPSSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000658026406 414113178 /nfs/dbraw/zinc/11/31/78/414113178.db2.gz UEXXOTSODBCKED-ZACQAIPSSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CCCC1(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CCCC1 ZINC000665236917 414191932 /nfs/dbraw/zinc/19/19/32/414191932.db2.gz WKLCCCUXYCLIFS-HZPDHXFCSA-N 2 2 280.456 2.870 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347963462 226389866 /nfs/dbraw/zinc/38/98/66/226389866.db2.gz QODOTKSLRNURNL-ZIAGYGMSSA-N 2 2 261.413 2.533 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347963462 226389868 /nfs/dbraw/zinc/38/98/68/226389868.db2.gz QODOTKSLRNURNL-ZIAGYGMSSA-N 2 2 261.413 2.533 20 30 CFEDLP C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000126732330 260356751 /nfs/dbraw/zinc/35/67/51/260356751.db2.gz AKUSAHOMANROFQ-NXVRBGIVSA-N 2 2 283.419 2.683 20 30 CFEDLP C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000126732330 260356753 /nfs/dbraw/zinc/35/67/53/260356753.db2.gz AKUSAHOMANROFQ-NXVRBGIVSA-N 2 2 283.419 2.683 20 30 CFEDLP C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000126732523 260356884 /nfs/dbraw/zinc/35/68/84/260356884.db2.gz AKUSAHOMANROFQ-MXWWQKGMSA-N 2 2 283.419 2.683 20 30 CFEDLP C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000126732523 260356885 /nfs/dbraw/zinc/35/68/85/260356885.db2.gz AKUSAHOMANROFQ-MXWWQKGMSA-N 2 2 283.419 2.683 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000106245763 260630987 /nfs/dbraw/zinc/63/09/87/260630987.db2.gz ZPCIYKNONQVHJE-UHFFFAOYSA-N 2 2 262.372 2.956 20 30 CFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C)c1ccccc1Cl ZINC000170906436 261447691 /nfs/dbraw/zinc/44/76/91/261447691.db2.gz DXEBCRIKGUYHBI-CQSZACIVSA-N 2 2 296.846 2.599 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000185711349 262068098 /nfs/dbraw/zinc/06/80/98/262068098.db2.gz WMKMDDVVYIIGMM-ZIAGYGMSSA-N 2 2 268.364 2.549 20 30 CFEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185792135 262071852 /nfs/dbraw/zinc/07/18/52/262071852.db2.gz DPDOYQUWPUCASG-KSZLIROESA-N 2 2 285.435 2.831 20 30 CFEDLP CC(C)(C#N)CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336821466 262397653 /nfs/dbraw/zinc/39/76/53/262397653.db2.gz HXTXBOJWOGHRKO-HNNXBMFYSA-N 2 2 273.380 2.865 20 30 CFEDLP CC(C)(C#N)CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336821466 262397654 /nfs/dbraw/zinc/39/76/54/262397654.db2.gz HXTXBOJWOGHRKO-HNNXBMFYSA-N 2 2 273.380 2.865 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000414762440 263040348 /nfs/dbraw/zinc/04/03/48/263040348.db2.gz ALEQCLDNPDEQSG-HOCLYGCPSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000414762440 263040349 /nfs/dbraw/zinc/04/03/49/263040349.db2.gz ALEQCLDNPDEQSG-HOCLYGCPSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCOC1(C)C)C(C)C ZINC000340175769 263082978 /nfs/dbraw/zinc/08/29/78/263082978.db2.gz PBTMEQRGXVMGRV-HOTGVXAUSA-N 2 2 280.456 2.842 20 30 CFEDLP C[N@@H+]1CC[C@H]([NH2+]CCCCC#N)[C@H]1c1ccccc1 ZINC000284337489 263086471 /nfs/dbraw/zinc/08/64/71/263086471.db2.gz QWWWZLSIFXPNFA-JKSUJKDBSA-N 2 2 257.381 2.715 20 30 CFEDLP C[N@H+]1CC[C@H]([NH2+]CCCCC#N)[C@H]1c1ccccc1 ZINC000284337489 263086472 /nfs/dbraw/zinc/08/64/72/263086472.db2.gz QWWWZLSIFXPNFA-JKSUJKDBSA-N 2 2 257.381 2.715 20 30 CFEDLP C[C@H](CCC#N)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000298456418 263220142 /nfs/dbraw/zinc/22/01/42/263220142.db2.gz HTZVHWFYGQMWSA-VNQPRFMTSA-N 2 2 257.381 2.714 20 30 CFEDLP C[C@H](CCC#N)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000298456418 263220143 /nfs/dbraw/zinc/22/01/43/263220143.db2.gz HTZVHWFYGQMWSA-VNQPRFMTSA-N 2 2 257.381 2.714 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000341326141 263331490 /nfs/dbraw/zinc/33/14/90/263331490.db2.gz WDTHVZVZHCITTJ-BQFCYCMXSA-N 2 2 288.435 2.596 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000341326141 263331492 /nfs/dbraw/zinc/33/14/92/263331492.db2.gz WDTHVZVZHCITTJ-BQFCYCMXSA-N 2 2 288.435 2.596 20 30 CFEDLP Cc1cc(C)c(NC(=O)N[C@H](C)CC[NH+](C)C)c(C)[nH+]1 ZINC000331245848 264178885 /nfs/dbraw/zinc/17/88/85/264178885.db2.gz UIGQEPAACFUHJH-LLVKDONJSA-N 2 2 278.400 2.673 20 30 CFEDLP C=CCSCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358019211 266398616 /nfs/dbraw/zinc/39/86/16/266398616.db2.gz KNZNZURWRDVCRS-UHFFFAOYSA-N 2 2 291.464 2.555 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccco1 ZINC000367589969 267102559 /nfs/dbraw/zinc/10/25/59/267102559.db2.gz RSWOFGOXFZURSJ-JYJNAYRXSA-N 2 2 290.407 2.740 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccco1 ZINC000367589969 267102562 /nfs/dbraw/zinc/10/25/62/267102562.db2.gz RSWOFGOXFZURSJ-JYJNAYRXSA-N 2 2 290.407 2.740 20 30 CFEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370494683 267324043 /nfs/dbraw/zinc/32/40/43/267324043.db2.gz INKHZVCDUWFAPZ-HOTGVXAUSA-N 2 2 291.439 2.971 20 30 CFEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370494683 267324045 /nfs/dbraw/zinc/32/40/45/267324045.db2.gz INKHZVCDUWFAPZ-HOTGVXAUSA-N 2 2 291.439 2.971 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000370665460 267336354 /nfs/dbraw/zinc/33/63/54/267336354.db2.gz BTUSJFWFJCFDCE-DOTOQJQBSA-N 2 2 298.434 2.575 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000370665460 267336356 /nfs/dbraw/zinc/33/63/56/267336356.db2.gz BTUSJFWFJCFDCE-DOTOQJQBSA-N 2 2 298.434 2.575 20 30 CFEDLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423391387 275816083 /nfs/dbraw/zinc/81/60/83/275816083.db2.gz PINIIEFJVADUJV-DLBZAZTESA-N 2 2 283.419 2.913 20 30 CFEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292098031 277160524 /nfs/dbraw/zinc/16/05/24/277160524.db2.gz HORIVPPFCUHHPJ-QGZVFWFLSA-N 2 2 288.822 2.719 20 30 CFEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292098031 277160526 /nfs/dbraw/zinc/16/05/26/277160526.db2.gz HORIVPPFCUHHPJ-QGZVFWFLSA-N 2 2 288.822 2.719 20 30 CFEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292098031 277160527 /nfs/dbraw/zinc/16/05/27/277160527.db2.gz HORIVPPFCUHHPJ-QGZVFWFLSA-N 2 2 288.822 2.719 20 30 CFEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292098031 277160528 /nfs/dbraw/zinc/16/05/28/277160528.db2.gz HORIVPPFCUHHPJ-QGZVFWFLSA-N 2 2 288.822 2.719 20 30 CFEDLP Cc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1C#N ZINC000551616746 281839226 /nfs/dbraw/zinc/83/92/26/281839226.db2.gz HAFUWRHFGPFPHF-UHFFFAOYSA-N 2 2 280.375 2.689 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000564432177 290209119 /nfs/dbraw/zinc/20/91/19/290209119.db2.gz QWOPJRJPHGVRLM-KRWDZBQOSA-N 2 2 280.375 2.812 20 30 CFEDLP C[C@H](CCC#N)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000298348870 328295967 /nfs/dbraw/zinc/29/59/67/328295967.db2.gz BUKLXWCAACVJEC-CQSZACIVSA-N 2 2 263.385 2.726 20 30 CFEDLP C[C@H](CCC#N)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000298348870 328295969 /nfs/dbraw/zinc/29/59/69/328295969.db2.gz BUKLXWCAACVJEC-CQSZACIVSA-N 2 2 263.385 2.726 20 30 CFEDLP C[C@H](CCC#N)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000298348870 328295970 /nfs/dbraw/zinc/29/59/70/328295970.db2.gz BUKLXWCAACVJEC-CQSZACIVSA-N 2 2 263.385 2.726 20 30 CFEDLP C[C@H](CCC#N)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000298348870 328295972 /nfs/dbraw/zinc/29/59/72/328295972.db2.gz BUKLXWCAACVJEC-CQSZACIVSA-N 2 2 263.385 2.726 20 30 CFEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000119729118 328307154 /nfs/dbraw/zinc/30/71/54/328307154.db2.gz SRVULYPSUHQHFF-UHFFFAOYSA-N 2 2 288.395 2.552 20 30 CFEDLP C#CCOc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000378342157 329046599 /nfs/dbraw/zinc/04/65/99/329046599.db2.gz NXNHWRUNJRKUML-UHFFFAOYSA-N 2 2 295.386 2.801 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000181716668 329236003 /nfs/dbraw/zinc/23/60/03/329236003.db2.gz LOEADEXIJHFVRX-SJORKVTESA-N 2 2 292.467 2.964 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000181716614 329236095 /nfs/dbraw/zinc/23/60/95/329236095.db2.gz LOEADEXIJHFVRX-DLBZAZTESA-N 2 2 292.467 2.964 20 30 CFEDLP N#C[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000185711961 329330541 /nfs/dbraw/zinc/33/05/41/329330541.db2.gz YFJGZUPXBMKWES-GOEBONIOSA-N 2 2 284.407 2.722 20 30 CFEDLP CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000185756025 329330956 /nfs/dbraw/zinc/33/09/56/329330956.db2.gz DSCJINPBNCQLCO-GJZGRUSLSA-N 2 2 263.429 2.923 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2(OC)CCCC2)CC1 ZINC000421835004 330091686 /nfs/dbraw/zinc/09/16/86/330091686.db2.gz PHDDLAVKGZHINM-CQSZACIVSA-N 2 2 266.429 2.574 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2nc(C)[nH+]cc2C)CC1 ZINC000515072609 330469996 /nfs/dbraw/zinc/46/99/96/330469996.db2.gz LQYDCICLRLEHQX-UHFFFAOYSA-N 2 2 260.385 2.546 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000442782241 330782732 /nfs/dbraw/zinc/78/27/32/330782732.db2.gz KUDGMQRRWGJQIE-DZGCQCFKSA-N 2 2 266.348 2.654 20 30 CFEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442853958 330787203 /nfs/dbraw/zinc/78/72/03/330787203.db2.gz VKLZRRKLMNGPPE-KBPBESRZSA-N 2 2 282.391 2.788 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccncc2)CC1 ZINC000453102408 331089262 /nfs/dbraw/zinc/08/92/62/331089262.db2.gz PLRZJMHNYZBNNW-INIZCTEOSA-N 2 2 259.397 2.773 20 30 CFEDLP C[N@H+](CC#Cc1ccccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000135096503 334115248 /nfs/dbraw/zinc/11/52/48/334115248.db2.gz BARQLEGOSVKNGS-HNNXBMFYSA-N 2 2 290.838 2.965 20 30 CFEDLP C[N@@H+](CC#Cc1ccccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000135096503 334115250 /nfs/dbraw/zinc/11/52/50/334115250.db2.gz BARQLEGOSVKNGS-HNNXBMFYSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000135096503 334115251 /nfs/dbraw/zinc/11/52/51/334115251.db2.gz BARQLEGOSVKNGS-HNNXBMFYSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000135096503 334115253 /nfs/dbraw/zinc/11/52/53/334115253.db2.gz BARQLEGOSVKNGS-HNNXBMFYSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000337888791 521617720 /nfs/dbraw/zinc/61/77/20/521617720.db2.gz XZLLCEVCQFKQLV-AWEZNQCLSA-N 2 2 275.371 2.519 20 30 CFEDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000337888791 521617723 /nfs/dbraw/zinc/61/77/23/521617723.db2.gz XZLLCEVCQFKQLV-AWEZNQCLSA-N 2 2 275.371 2.519 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000336119491 522040295 /nfs/dbraw/zinc/04/02/95/522040295.db2.gz WMCRJSZKNUGFAR-OAHLLOKOSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000336119491 522040304 /nfs/dbraw/zinc/04/03/04/522040304.db2.gz WMCRJSZKNUGFAR-OAHLLOKOSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC000336119512 522098644 /nfs/dbraw/zinc/09/86/44/522098644.db2.gz ZIMJKYPPOUXBQD-HNNXBMFYSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000336119512 522098655 /nfs/dbraw/zinc/09/86/55/522098655.db2.gz ZIMJKYPPOUXBQD-HNNXBMFYSA-N 2 2 275.371 2.613 20 30 CFEDLP C=CCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000274591380 534690552 /nfs/dbraw/zinc/69/05/52/534690552.db2.gz NLQXMEGRHLMOKY-UHFFFAOYSA-N 2 2 259.397 2.996 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)c3F)CC[C@@H]21 ZINC000223558932 523856199 /nfs/dbraw/zinc/85/61/99/523856199.db2.gz HZZKFWIBCBRMEO-HOCLYGCPSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)c3F)CC[C@@H]21 ZINC000223558932 523856204 /nfs/dbraw/zinc/85/62/04/523856204.db2.gz HZZKFWIBCBRMEO-HOCLYGCPSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C#N)c3F)CC[C@@H]21 ZINC000223558932 523856211 /nfs/dbraw/zinc/85/62/11/523856211.db2.gz HZZKFWIBCBRMEO-HOCLYGCPSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C#N)c3F)CC[C@@H]21 ZINC000223558932 523856219 /nfs/dbraw/zinc/85/62/19/523856219.db2.gz HZZKFWIBCBRMEO-HOCLYGCPSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3C#N)CC[C@@H]21 ZINC000336452882 523858192 /nfs/dbraw/zinc/85/81/92/523858192.db2.gz ARENJFCRISNJPN-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3C#N)CC[C@@H]21 ZINC000336452882 523858197 /nfs/dbraw/zinc/85/81/97/523858197.db2.gz ARENJFCRISNJPN-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3C#N)CC[C@@H]21 ZINC000336452882 523858200 /nfs/dbraw/zinc/85/82/00/523858200.db2.gz ARENJFCRISNJPN-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3C#N)CC[C@@H]21 ZINC000336452882 523858206 /nfs/dbraw/zinc/85/82/06/523858206.db2.gz ARENJFCRISNJPN-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)o1 ZINC000174302237 526625395 /nfs/dbraw/zinc/62/53/95/526625395.db2.gz ZZJSAJQZUITQCG-UHFFFAOYSA-N 2 2 278.315 2.627 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344343441 526903667 /nfs/dbraw/zinc/90/36/67/526903667.db2.gz CNWQISDYZFJIEG-RHSMWYFYSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344343441 526903672 /nfs/dbraw/zinc/90/36/72/526903672.db2.gz CNWQISDYZFJIEG-RHSMWYFYSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344343442 526903826 /nfs/dbraw/zinc/90/38/26/526903826.db2.gz CNWQISDYZFJIEG-WMLDXEAASA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344343442 526903829 /nfs/dbraw/zinc/90/38/29/526903829.db2.gz CNWQISDYZFJIEG-WMLDXEAASA-N 2 2 274.408 2.824 20 30 CFEDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000171599468 527427666 /nfs/dbraw/zinc/42/76/66/527427666.db2.gz DJNIHKDIDKXKJS-UHFFFAOYSA-N 2 2 294.402 2.746 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(C#N)c3)CC[C@@H]21 ZINC000892228637 618015597 /nfs/dbraw/zinc/01/55/97/618015597.db2.gz POTDFJYOYUKWMD-ZFWWWQNUSA-N 2 2 275.421 2.536 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(C#N)c3)CC[C@@H]21 ZINC000892228637 618015599 /nfs/dbraw/zinc/01/55/99/618015599.db2.gz POTDFJYOYUKWMD-ZFWWWQNUSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(C#N)c3)CC[C@@H]21 ZINC000892228637 618015603 /nfs/dbraw/zinc/01/56/03/618015603.db2.gz POTDFJYOYUKWMD-ZFWWWQNUSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(C#N)c3)CC[C@@H]21 ZINC000892228637 618015608 /nfs/dbraw/zinc/01/56/08/618015608.db2.gz POTDFJYOYUKWMD-ZFWWWQNUSA-N 2 2 275.421 2.536 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310757 618937642 /nfs/dbraw/zinc/93/76/42/618937642.db2.gz MWZRCYSAHMQVJE-OLMNPRSZSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310757 618937644 /nfs/dbraw/zinc/93/76/44/618937644.db2.gz MWZRCYSAHMQVJE-OLMNPRSZSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310757 618937645 /nfs/dbraw/zinc/93/76/45/618937645.db2.gz MWZRCYSAHMQVJE-OLMNPRSZSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310757 618937649 /nfs/dbraw/zinc/93/76/49/618937649.db2.gz MWZRCYSAHMQVJE-OLMNPRSZSA-N 2 2 283.419 2.893 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924983628 619316749 /nfs/dbraw/zinc/31/67/49/619316749.db2.gz DEDKSPQHVLPMSS-MSOLQXFVSA-N 2 2 291.483 2.633 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ccn2)CC1 ZINC000924985052 619317091 /nfs/dbraw/zinc/31/70/91/619317091.db2.gz FZUQBRPDVDVWCT-AWEZNQCLSA-N 2 2 289.423 2.781 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034811 620327133 /nfs/dbraw/zinc/32/71/33/620327133.db2.gz XQVUBPTUEOXMHS-ZDUSSCGKSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034811 620327136 /nfs/dbraw/zinc/32/71/36/620327136.db2.gz XQVUBPTUEOXMHS-ZDUSSCGKSA-N 2 2 251.418 2.636 20 30 CFEDLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000902446649 621089283 /nfs/dbraw/zinc/08/92/83/621089283.db2.gz UUUKPIZVQPTPDR-SJORKVTESA-N 2 2 283.419 2.913 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000902483880 621110573 /nfs/dbraw/zinc/11/05/73/621110573.db2.gz SKVPZHVCROCLAU-BBRMVZONSA-N 2 2 257.381 2.741 20 30 CFEDLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902736710 621161786 /nfs/dbraw/zinc/16/17/86/621161786.db2.gz KSFGKQIYEAMEKT-AWEZNQCLSA-N 2 2 286.423 2.724 20 30 CFEDLP C#C[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCO1 ZINC000902958771 621214206 /nfs/dbraw/zinc/21/42/06/621214206.db2.gz SRFMRCRJYHGNOA-JLSDUUJJSA-N 2 2 295.386 2.704 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903001291 621225615 /nfs/dbraw/zinc/22/56/15/621225615.db2.gz SXSLUXSIKHXFIV-LBPRGKRZSA-N 2 2 299.340 2.706 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903001291 621225617 /nfs/dbraw/zinc/22/56/17/621225617.db2.gz SXSLUXSIKHXFIV-LBPRGKRZSA-N 2 2 299.340 2.706 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955801 621490067 /nfs/dbraw/zinc/49/00/67/621490067.db2.gz ZHVDDZICUNUKCX-CQSZACIVSA-N 2 2 296.361 2.586 20 30 CFEDLP CCCCCCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817914012 625961995 /nfs/dbraw/zinc/96/19/95/625961995.db2.gz VHRGQMQGJGLURX-HOTGVXAUSA-N 2 2 268.445 2.704 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768517857 627348395 /nfs/dbraw/zinc/34/83/95/627348395.db2.gz PEKZOYAXWIPEJJ-AEFFLSMTSA-N 2 2 270.420 2.900 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768517857 627348398 /nfs/dbraw/zinc/34/83/98/627348398.db2.gz PEKZOYAXWIPEJJ-AEFFLSMTSA-N 2 2 270.420 2.900 20 30 CFEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccccc3)cc2)CC1 ZINC000771553881 627613363 /nfs/dbraw/zinc/61/33/63/627613363.db2.gz SHZWMGOYFVBFCQ-UHFFFAOYSA-N 2 2 294.402 2.884 20 30 CFEDLP C#CC[N@@H+](C)CCCNc1cc[nH+]c2c(OC)cccc12 ZINC000814930360 632169710 /nfs/dbraw/zinc/16/97/10/632169710.db2.gz ZZTVPAJLABVGSZ-UHFFFAOYSA-N 2 2 283.375 2.610 20 30 CFEDLP C#CC[N@H+](C)CCCNc1cc[nH+]c2c(OC)cccc12 ZINC000814930360 632169712 /nfs/dbraw/zinc/16/97/12/632169712.db2.gz ZZTVPAJLABVGSZ-UHFFFAOYSA-N 2 2 283.375 2.610 20 30 CFEDLP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1C#N ZINC000817915239 632731693 /nfs/dbraw/zinc/73/16/93/632731693.db2.gz JSIGNQREZBVZRO-DLBZAZTESA-N 2 2 293.370 2.801 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OCC#N)cc1 ZINC000817955297 632754562 /nfs/dbraw/zinc/75/45/62/632754562.db2.gz VIXUVOXMPQWUIM-KBXCAEBGSA-N 2 2 295.386 2.940 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000863540410 637688096 /nfs/dbraw/zinc/68/80/96/637688096.db2.gz ABWCCYUSIAYFNB-RHSMWYFYSA-N 2 2 284.403 2.634 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(F)ccc2N(C)C)CC1 ZINC000865454160 638345606 /nfs/dbraw/zinc/34/56/06/638345606.db2.gz RVSBARVFKRANHW-UHFFFAOYSA-N 2 2 291.414 2.632 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000866280919 638788543 /nfs/dbraw/zinc/78/85/43/638788543.db2.gz CPLCBZWNRZYGQK-CFVMTHIKSA-N 2 2 287.407 2.787 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000866280921 638788587 /nfs/dbraw/zinc/78/85/87/638788587.db2.gz CPLCBZWNRZYGQK-NWANDNLSSA-N 2 2 287.407 2.787 20 30 CFEDLP C#CCCCCCC[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000877074237 643136173 /nfs/dbraw/zinc/13/61/73/643136173.db2.gz DEBWBUWGRMAECV-OAHLLOKOSA-N 2 2 268.470 2.597 20 30 CFEDLP CCC1([NH+]2CCCCC2)CC[NH+](CCOCCC#N)CC1 ZINC000880254577 644614755 /nfs/dbraw/zinc/61/47/55/644614755.db2.gz HHUQXLDQIDNVDQ-UHFFFAOYSA-N 2 2 293.455 2.647 20 30 CFEDLP C#CCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570061 644769095 /nfs/dbraw/zinc/76/90/95/644769095.db2.gz SVSYIDMFUYWRJG-INIZCTEOSA-N 2 2 253.349 2.627 20 30 CFEDLP CCCCCCNC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000303865898 651004439 /nfs/dbraw/zinc/00/44/39/651004439.db2.gz BWJDSEBOIVAZGG-UHFFFAOYSA-N 2 2 299.422 2.857 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000883176019 645641498 /nfs/dbraw/zinc/64/14/98/645641498.db2.gz UAYBZBPPVFRUTM-HZPDHXFCSA-N 2 2 277.412 2.767 20 30 CFEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)o1 ZINC000135159543 646480607 /nfs/dbraw/zinc/48/06/07/646480607.db2.gz UNSGEVKNNIPVGI-CQSZACIVSA-N 2 2 272.352 2.552 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](OC)CC2)CC1 ZINC000885973033 646791198 /nfs/dbraw/zinc/79/11/98/646791198.db2.gz OJEXYPAGMQZNRF-GDBMZVCRSA-N 2 2 266.429 2.574 20 30 CFEDLP C#CCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000886381583 646994064 /nfs/dbraw/zinc/99/40/64/646994064.db2.gz JFPHAWCBNIWDDS-UHFFFAOYSA-N 2 2 295.386 2.534 20 30 CFEDLP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(C#N)c1O ZINC000924712759 648034065 /nfs/dbraw/zinc/03/40/65/648034065.db2.gz JSMWYBOBIWLFDH-INIZCTEOSA-N 2 2 298.390 2.900 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000924983261 648084190 /nfs/dbraw/zinc/08/41/90/648084190.db2.gz CUAYFAVQTIHWCQ-GOOCMWNKSA-N 2 2 266.454 2.653 20 30 CFEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000925011924 648088822 /nfs/dbraw/zinc/08/88/22/648088822.db2.gz SUQTZTUGCXFGNX-CJNGLKHVSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000925011924 648088824 /nfs/dbraw/zinc/08/88/24/648088824.db2.gz SUQTZTUGCXFGNX-CJNGLKHVSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925025567 648089620 /nfs/dbraw/zinc/08/96/20/648089620.db2.gz DANFQUXLSBMLRD-KBPBESRZSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925025567 648089623 /nfs/dbraw/zinc/08/96/23/648089623.db2.gz DANFQUXLSBMLRD-KBPBESRZSA-N 2 2 251.418 2.779 20 30 CFEDLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1 ZINC000925710853 648290723 /nfs/dbraw/zinc/29/07/23/648290723.db2.gz CFSSVSSSRYOCRH-KBXCAEBGSA-N 2 2 279.387 2.779 20 30 CFEDLP N#CC1CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926357449 648470598 /nfs/dbraw/zinc/47/05/98/648470598.db2.gz WVJXQWMULGJTQO-GQGLESIBSA-N 2 2 275.440 2.923 20 30 CFEDLP N#CC1CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926357449 648470604 /nfs/dbraw/zinc/47/06/04/648470604.db2.gz WVJXQWMULGJTQO-GQGLESIBSA-N 2 2 275.440 2.923 20 30 CFEDLP N#CC1CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926357445 648470888 /nfs/dbraw/zinc/47/08/88/648470888.db2.gz WVJXQWMULGJTQO-BHUNQDJPSA-N 2 2 275.440 2.923 20 30 CFEDLP N#CC1CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926357445 648470891 /nfs/dbraw/zinc/47/08/91/648470891.db2.gz WVJXQWMULGJTQO-BHUNQDJPSA-N 2 2 275.440 2.923 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931315573 649406605 /nfs/dbraw/zinc/40/66/05/649406605.db2.gz XZFINSAUAWKKDR-QZTJIDSGSA-N 2 2 283.419 2.640 20 30 CFEDLP C=CCCCCCC[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235928272 778612942 /nfs/dbraw/zinc/61/29/42/778612942.db2.gz SLMYJIORURBAES-UHFFFAOYSA-N 2 2 266.429 2.576 20 30 CFEDLP C=CCCCCCC[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235928272 778612943 /nfs/dbraw/zinc/61/29/43/778612943.db2.gz SLMYJIORURBAES-UHFFFAOYSA-N 2 2 266.429 2.576 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236005358 778651070 /nfs/dbraw/zinc/65/10/70/778651070.db2.gz LHXWSEQRNCPTID-MRXNPFEDSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1ccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236005358 778651075 /nfs/dbraw/zinc/65/10/75/778651075.db2.gz LHXWSEQRNCPTID-MRXNPFEDSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCc1cccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)c1O ZINC001236007970 778651679 /nfs/dbraw/zinc/65/16/79/778651679.db2.gz ORQCVZWZGBJVRX-MRXNPFEDSA-N 2 2 274.408 2.695 20 30 CFEDLP C=CCc1cccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)c1O ZINC001236007970 778651681 /nfs/dbraw/zinc/65/16/81/778651681.db2.gz ORQCVZWZGBJVRX-MRXNPFEDSA-N 2 2 274.408 2.695 20 30 CFEDLP CCc1cc(C#N)ccc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236210912 778737966 /nfs/dbraw/zinc/73/79/66/778737966.db2.gz XWZCCZNMXIIHLH-KRWDZBQOSA-N 2 2 271.408 2.695 20 30 CFEDLP CCc1cc(C#N)ccc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236210912 778737969 /nfs/dbraw/zinc/73/79/69/778737969.db2.gz XWZCCZNMXIIHLH-KRWDZBQOSA-N 2 2 271.408 2.695 20 30 CFEDLP CCCCCCC[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236331614 778783218 /nfs/dbraw/zinc/78/32/18/778783218.db2.gz XNFJVLLVLZLFSQ-OAHLLOKOSA-N 2 2 256.434 2.657 20 30 CFEDLP CCCCCCC[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236331614 778783221 /nfs/dbraw/zinc/78/32/21/778783221.db2.gz XNFJVLLVLZLFSQ-OAHLLOKOSA-N 2 2 256.434 2.657 20 30 CFEDLP C=CCCCCCCCC[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101411 779010424 /nfs/dbraw/zinc/01/04/24/779010424.db2.gz DXODJCONQZZDRN-LSDHHAIUSA-N 2 2 254.418 2.561 20 30 CFEDLP C=CCCCCCCCC[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101411 779010418 /nfs/dbraw/zinc/01/04/18/779010418.db2.gz DXODJCONQZZDRN-LSDHHAIUSA-N 2 2 254.418 2.561 20 30 CFEDLP N#Cc1ccc2c(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237401534 779095971 /nfs/dbraw/zinc/09/59/71/779095971.db2.gz DKMNCCHZYXYITC-WMLDXEAASA-N 2 2 294.402 2.613 20 30 CFEDLP N#Cc1ccc2c(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237401534 779095976 /nfs/dbraw/zinc/09/59/76/779095976.db2.gz DKMNCCHZYXYITC-WMLDXEAASA-N 2 2 294.402 2.613 20 30 CFEDLP CCCC[NH+]1CCC([N@H+](C)Cc2ccnc(C#N)c2)CC1 ZINC001237462218 779113205 /nfs/dbraw/zinc/11/32/05/779113205.db2.gz GWQFULDFTGJULH-UHFFFAOYSA-N 2 2 286.423 2.650 20 30 CFEDLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccnc(C#N)c2)CC1 ZINC001237462218 779113207 /nfs/dbraw/zinc/11/32/07/779113207.db2.gz GWQFULDFTGJULH-UHFFFAOYSA-N 2 2 286.423 2.650 20 30 CFEDLP C[N@H+](Cc1cccc(C#N)c1)Cc1cccc2c[nH+]cn21 ZINC001238111959 779255827 /nfs/dbraw/zinc/25/58/27/779255827.db2.gz ZZBWUCUSVOVISY-UHFFFAOYSA-N 2 2 276.343 2.838 20 30 CFEDLP C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2c[nH+]cn21 ZINC001238111959 779255831 /nfs/dbraw/zinc/25/58/31/779255831.db2.gz ZZBWUCUSVOVISY-UHFFFAOYSA-N 2 2 276.343 2.838 20 30 CFEDLP N#Cc1cc(-c2ccn3cc[nH+]c3c2)cc(C2C[NH2+]C2)c1 ZINC001240345890 780096627 /nfs/dbraw/zinc/09/66/27/780096627.db2.gz SOSPKLLTGCPLJK-UHFFFAOYSA-N 2 2 274.327 2.560 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000594522107 349441314 /nfs/dbraw/zinc/44/13/14/349441314.db2.gz HSEUEVTXNHFHLQ-IAGOWNOFSA-N 2 2 287.382 2.804 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000594522107 349441318 /nfs/dbraw/zinc/44/13/18/349441318.db2.gz HSEUEVTXNHFHLQ-IAGOWNOFSA-N 2 2 287.382 2.804 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1C#N ZINC000594523145 349442266 /nfs/dbraw/zinc/44/22/66/349442266.db2.gz OELSPMJXPBPHOD-QZTJIDSGSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1C#N ZINC000594523145 349442270 /nfs/dbraw/zinc/44/22/70/349442270.db2.gz OELSPMJXPBPHOD-QZTJIDSGSA-N 2 2 283.419 2.973 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000594961772 349531178 /nfs/dbraw/zinc/53/11/78/349531178.db2.gz HSBRTOIFIITNLR-BBBYJDLNSA-N 2 2 263.429 2.921 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000594961772 349531182 /nfs/dbraw/zinc/53/11/82/349531182.db2.gz HSBRTOIFIITNLR-BBBYJDLNSA-N 2 2 263.429 2.921 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000594964013 349532276 /nfs/dbraw/zinc/53/22/76/349532276.db2.gz NNYVVNZJFJWHDW-HNNXBMFYSA-N 2 2 257.381 2.521 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000594964013 349532281 /nfs/dbraw/zinc/53/22/81/349532281.db2.gz NNYVVNZJFJWHDW-HNNXBMFYSA-N 2 2 257.381 2.521 20 30 CFEDLP N#Cc1ccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000595465169 349634859 /nfs/dbraw/zinc/63/48/59/349634859.db2.gz GQBYCCJFIXMQFS-GOSISDBHSA-N 2 2 293.370 2.649 20 30 CFEDLP N#Cc1ccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000595465169 349634862 /nfs/dbraw/zinc/63/48/62/349634862.db2.gz GQBYCCJFIXMQFS-GOSISDBHSA-N 2 2 293.370 2.649 20 30 CFEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(C#N)c1F)C2 ZINC000595505683 349646129 /nfs/dbraw/zinc/64/61/29/349646129.db2.gz XDEDZCZQYCLGMC-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(C#N)c1F)C2 ZINC000595505683 349646133 /nfs/dbraw/zinc/64/61/33/349646133.db2.gz XDEDZCZQYCLGMC-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000595505683 349646136 /nfs/dbraw/zinc/64/61/36/349646136.db2.gz XDEDZCZQYCLGMC-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000595505683 349646140 /nfs/dbraw/zinc/64/61/40/349646140.db2.gz XDEDZCZQYCLGMC-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000295003142 199294793 /nfs/dbraw/zinc/29/47/93/199294793.db2.gz MEDPNSAWYRZHHP-OAHLLOKOSA-N 2 2 281.403 2.841 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000295003142 199294795 /nfs/dbraw/zinc/29/47/95/199294795.db2.gz MEDPNSAWYRZHHP-OAHLLOKOSA-N 2 2 281.403 2.841 20 30 CFEDLP N#Cc1cccc(C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000030661411 346290035 /nfs/dbraw/zinc/29/00/35/346290035.db2.gz GVXMVHFGPFHDCO-UHFFFAOYSA-N 2 2 276.343 2.538 20 30 CFEDLP C[N@H+](CCCCC#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440350 347304452 /nfs/dbraw/zinc/30/44/52/347304452.db2.gz YJWOBHALUULWHD-UHFFFAOYSA-N 2 2 272.396 2.676 20 30 CFEDLP C[N@@H+](CCCCC#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440350 347304454 /nfs/dbraw/zinc/30/44/54/347304454.db2.gz YJWOBHALUULWHD-UHFFFAOYSA-N 2 2 272.396 2.676 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080973226 347391392 /nfs/dbraw/zinc/39/13/92/347391392.db2.gz RTAVHTBBIHLRPI-OAHLLOKOSA-N 2 2 266.348 2.661 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080973226 347391394 /nfs/dbraw/zinc/39/13/94/347391394.db2.gz RTAVHTBBIHLRPI-OAHLLOKOSA-N 2 2 266.348 2.661 20 30 CFEDLP CC(C)(CCC#N)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866345 347686456 /nfs/dbraw/zinc/68/64/56/347686456.db2.gz VAAQKNAVEGNVLG-OAHLLOKOSA-N 2 2 273.380 2.865 20 30 CFEDLP CC(C)(CCC#N)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866345 347686458 /nfs/dbraw/zinc/68/64/58/347686458.db2.gz VAAQKNAVEGNVLG-OAHLLOKOSA-N 2 2 273.380 2.865 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000592290788 349104890 /nfs/dbraw/zinc/10/48/90/349104890.db2.gz CCGXXYSZDARSNH-UHFFFAOYSA-N 2 2 284.407 2.693 20 30 CFEDLP C[NH+](C)C1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596984487 350012586 /nfs/dbraw/zinc/01/25/86/350012586.db2.gz UDMHZXQRCCEGTI-UHFFFAOYSA-N 2 2 283.419 2.768 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090721409 180032181 /nfs/dbraw/zinc/03/21/81/180032181.db2.gz STKIWLIQDKYINU-HOCLYGCPSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090721409 180032183 /nfs/dbraw/zinc/03/21/83/180032183.db2.gz STKIWLIQDKYINU-HOCLYGCPSA-N 2 2 274.408 2.824 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066739 180316713 /nfs/dbraw/zinc/31/67/13/180316713.db2.gz VFNIGWLJUIRBTB-DYVFJYSZSA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066739 180316714 /nfs/dbraw/zinc/31/67/14/180316714.db2.gz VFNIGWLJUIRBTB-DYVFJYSZSA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000092066739 180316716 /nfs/dbraw/zinc/31/67/16/180316716.db2.gz VFNIGWLJUIRBTB-DYVFJYSZSA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000092066739 180316718 /nfs/dbraw/zinc/31/67/18/180316718.db2.gz VFNIGWLJUIRBTB-DYVFJYSZSA-N 2 2 285.391 2.600 20 30 CFEDLP CC(C)(C#N)CCCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599471797 350442113 /nfs/dbraw/zinc/44/21/13/350442113.db2.gz CDNRVJMKVAZLCN-UHFFFAOYSA-N 2 2 293.455 2.503 20 30 CFEDLP N#CCc1cccc2c1CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000599676678 350480217 /nfs/dbraw/zinc/48/02/17/350480217.db2.gz BSGUGPHPIHJHAN-UHFFFAOYSA-N 2 2 297.446 2.987 20 30 CFEDLP N#CCc1cccc2c1CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000599676678 350480219 /nfs/dbraw/zinc/48/02/19/350480219.db2.gz BSGUGPHPIHJHAN-UHFFFAOYSA-N 2 2 297.446 2.987 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600712819 350600159 /nfs/dbraw/zinc/60/01/59/350600159.db2.gz ZJYHRMLAJOHUJD-SJORKVTESA-N 2 2 281.403 2.810 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000600773350 350608427 /nfs/dbraw/zinc/60/84/27/350608427.db2.gz HBCXFNBFDOUAPJ-KGLIPLIRSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000600773350 350608432 /nfs/dbraw/zinc/60/84/32/350608432.db2.gz HBCXFNBFDOUAPJ-KGLIPLIRSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1c(F)cccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000602014486 350831509 /nfs/dbraw/zinc/83/15/09/350831509.db2.gz UOZPGZAFTMUVFP-UHFFFAOYSA-N 2 2 284.338 2.684 20 30 CFEDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602007120 350828885 /nfs/dbraw/zinc/82/88/85/350828885.db2.gz MTMDORPVUXLWHG-ZDUSSCGKSA-N 2 2 275.371 2.519 20 30 CFEDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602007120 350828889 /nfs/dbraw/zinc/82/88/89/350828889.db2.gz MTMDORPVUXLWHG-ZDUSSCGKSA-N 2 2 275.371 2.519 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000602501588 350907274 /nfs/dbraw/zinc/90/72/74/350907274.db2.gz AVEJORGCSDODDO-WBVHZDCISA-N 2 2 273.424 2.689 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](C)CCC#N ZINC000602515386 350911626 /nfs/dbraw/zinc/91/16/26/350911626.db2.gz XCGMKHDCKPSCKV-ZDUSSCGKSA-N 2 2 270.380 2.874 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000602521847 350913359 /nfs/dbraw/zinc/91/33/59/350913359.db2.gz SNXCYYWLSAONNS-AWEZNQCLSA-N 2 2 268.364 2.902 20 30 CFEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602542343 350918578 /nfs/dbraw/zinc/91/85/78/350918578.db2.gz VNYHIKLUELLGAJ-NRXISQOPSA-N 2 2 251.418 2.635 20 30 CFEDLP C#CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000271534328 191197894 /nfs/dbraw/zinc/19/78/94/191197894.db2.gz QBZVREXUXQPJLI-LESCRADOSA-N 2 2 268.404 2.966 20 30 CFEDLP C#CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000271534328 191197895 /nfs/dbraw/zinc/19/78/95/191197895.db2.gz QBZVREXUXQPJLI-LESCRADOSA-N 2 2 268.404 2.966 20 30 CFEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618567739 352810956 /nfs/dbraw/zinc/81/09/56/352810956.db2.gz DGLWQQQCHUEQBI-CABCVRRESA-N 2 2 293.455 2.548 20 30 CFEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000618741966 352875980 /nfs/dbraw/zinc/87/59/80/352875980.db2.gz JDZBYSXYTWFZFI-KRWDZBQOSA-N 2 2 288.354 2.983 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754891 353063596 /nfs/dbraw/zinc/06/35/96/353063596.db2.gz NZGFJVPGGQKPFN-ZBEGNZNMSA-N 2 2 289.810 2.784 20 30 CFEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754891 353063597 /nfs/dbraw/zinc/06/35/97/353063597.db2.gz NZGFJVPGGQKPFN-ZBEGNZNMSA-N 2 2 289.810 2.784 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cncs2)CC1 ZINC000152978389 188057296 /nfs/dbraw/zinc/05/72/96/188057296.db2.gz INOGHHIJHUWHTJ-LBPRGKRZSA-N 2 2 265.426 2.834 20 30 CFEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000154262319 188132231 /nfs/dbraw/zinc/13/22/31/188132231.db2.gz WEVUFIHJSLOVHO-QGZVFWFLSA-N 2 2 288.410 2.841 20 30 CFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000154262319 188132233 /nfs/dbraw/zinc/13/22/33/188132233.db2.gz WEVUFIHJSLOVHO-QGZVFWFLSA-N 2 2 288.410 2.841 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154262319 188132235 /nfs/dbraw/zinc/13/22/35/188132235.db2.gz WEVUFIHJSLOVHO-QGZVFWFLSA-N 2 2 288.410 2.841 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154262319 188132236 /nfs/dbraw/zinc/13/22/36/188132236.db2.gz WEVUFIHJSLOVHO-QGZVFWFLSA-N 2 2 288.410 2.841 20 30 CFEDLP C[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271836477 191356992 /nfs/dbraw/zinc/35/69/92/191356992.db2.gz FZDHMTFVHOXSOF-RHSMWYFYSA-N 2 2 283.419 2.768 20 30 CFEDLP N#Cc1ccc(C[N@H+](CC[NH3+])CCc2ccccc2)cc1 ZINC000261812962 283138742 /nfs/dbraw/zinc/13/87/42/283138742.db2.gz SVLPHLZIFRXARN-UHFFFAOYSA-N 2 2 279.387 2.562 20 30 CFEDLP N#Cc1ccc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1 ZINC000261812962 283138743 /nfs/dbraw/zinc/13/87/43/283138743.db2.gz SVLPHLZIFRXARN-UHFFFAOYSA-N 2 2 279.387 2.562 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000352838608 283145173 /nfs/dbraw/zinc/14/51/73/283145173.db2.gz GAFYFOIYTMRHQX-UHFFFAOYSA-N 2 2 294.280 2.563 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000360838688 283192350 /nfs/dbraw/zinc/19/23/50/283192350.db2.gz DGXHNNODIYQDGR-QGZVFWFLSA-N 2 2 280.375 2.812 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000294877110 199226444 /nfs/dbraw/zinc/22/64/44/199226444.db2.gz DDFZKMYTQDCIHN-INIZCTEOSA-N 2 2 288.439 2.576 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000294877110 199226446 /nfs/dbraw/zinc/22/64/46/199226446.db2.gz DDFZKMYTQDCIHN-INIZCTEOSA-N 2 2 288.439 2.576 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CC2 ZINC000423254661 238312291 /nfs/dbraw/zinc/31/22/91/238312291.db2.gz ZBEBSNSJIZNDLP-QZTJIDSGSA-N 2 2 277.371 2.835 20 30 CFEDLP C=CCOCCC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000348026876 781941121 /nfs/dbraw/zinc/94/11/21/781941121.db2.gz AXNVOPFPMZTSKR-HNNXBMFYSA-N 2 2 277.412 2.675 20 30 CFEDLP C=CCOCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000348026876 781941125 /nfs/dbraw/zinc/94/11/25/781941125.db2.gz AXNVOPFPMZTSKR-HNNXBMFYSA-N 2 2 277.412 2.675 20 30 CFEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000036679452 372585565 /nfs/dbraw/zinc/58/55/65/372585565.db2.gz GYRWNUWIRCIWKO-MRXNPFEDSA-N 2 2 271.408 2.933 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500821 373980551 /nfs/dbraw/zinc/98/05/51/373980551.db2.gz KDBXUDSSXNZGQS-OAHLLOKOSA-N 2 2 285.391 2.874 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000076003155 374521498 /nfs/dbraw/zinc/52/14/98/374521498.db2.gz VGOPHNWMMBUTSC-HNNXBMFYSA-N 2 2 271.408 2.722 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000076003155 374521504 /nfs/dbraw/zinc/52/15/04/374521504.db2.gz VGOPHNWMMBUTSC-HNNXBMFYSA-N 2 2 271.408 2.722 20 30 CFEDLP N#Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1F ZINC000571513006 383700846 /nfs/dbraw/zinc/70/08/46/383700846.db2.gz JUBJWYPJRNMLJI-UHFFFAOYSA-N 2 2 284.338 2.520 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc[nH+]cc1F)C(C)C ZINC000678788771 542070423 /nfs/dbraw/zinc/07/04/23/542070423.db2.gz NTIUVCRKULRDOC-INIZCTEOSA-N 2 2 277.387 2.753 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc(C)cs2)CC1 ZINC000117385475 376241743 /nfs/dbraw/zinc/24/17/43/376241743.db2.gz XEOMFJUVPYMBSA-UHFFFAOYSA-N 2 2 265.426 2.582 20 30 CFEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000120837266 376702661 /nfs/dbraw/zinc/70/26/61/376702661.db2.gz NEBXLGZKOLJWRN-CQSZACIVSA-N 2 2 275.396 2.609 20 30 CFEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000120837266 376702672 /nfs/dbraw/zinc/70/26/72/376702672.db2.gz NEBXLGZKOLJWRN-CQSZACIVSA-N 2 2 275.396 2.609 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000334387241 379207564 /nfs/dbraw/zinc/20/75/64/379207564.db2.gz PFCROJGXSTZOFX-BBRMVZONSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000334387241 379207571 /nfs/dbraw/zinc/20/75/71/379207571.db2.gz PFCROJGXSTZOFX-BBRMVZONSA-N 2 2 298.365 2.977 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000174215652 379845092 /nfs/dbraw/zinc/84/50/92/379845092.db2.gz BXXVZIRVFYUTCC-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000174215652 379845096 /nfs/dbraw/zinc/84/50/96/379845096.db2.gz BXXVZIRVFYUTCC-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP N#Cc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000174263505 379853649 /nfs/dbraw/zinc/85/36/49/379853649.db2.gz BOVVTAJWCOIASH-UHFFFAOYSA-N 2 2 292.342 2.686 20 30 CFEDLP C[C@@H]1CCC[N@H+](CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174271314 379855462 /nfs/dbraw/zinc/85/54/62/379855462.db2.gz WHUPRPZXSNDYLE-CQSZACIVSA-N 2 2 251.418 2.638 20 30 CFEDLP C[C@@H]1CCC[N@@H+](CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174271314 379855468 /nfs/dbraw/zinc/85/54/68/379855468.db2.gz WHUPRPZXSNDYLE-CQSZACIVSA-N 2 2 251.418 2.638 20 30 CFEDLP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000174344060 379867614 /nfs/dbraw/zinc/86/76/14/379867614.db2.gz RBRPWOZTSOTXGR-UHFFFAOYSA-N 2 2 263.385 2.753 20 30 CFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000336375556 380333605 /nfs/dbraw/zinc/33/36/05/380333605.db2.gz XHEUBVMHTFOEPD-SFHVURJKSA-N 2 2 286.394 2.595 20 30 CFEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000336375556 380333608 /nfs/dbraw/zinc/33/36/08/380333608.db2.gz XHEUBVMHTFOEPD-SFHVURJKSA-N 2 2 286.394 2.595 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000336375556 380333612 /nfs/dbraw/zinc/33/36/12/380333612.db2.gz XHEUBVMHTFOEPD-SFHVURJKSA-N 2 2 286.394 2.595 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000336375556 380333617 /nfs/dbraw/zinc/33/36/17/380333617.db2.gz XHEUBVMHTFOEPD-SFHVURJKSA-N 2 2 286.394 2.595 20 30 CFEDLP C[N@H+](CC[NH2+]Cc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000403995615 380897808 /nfs/dbraw/zinc/89/78/08/380897808.db2.gz GDMLXQVRFLHUOC-UHFFFAOYSA-N 2 2 297.377 2.919 20 30 CFEDLP C[N@@H+](CC[NH2+]Cc1ccc(C#N)c(F)c1)Cc1ccccc1 ZINC000403995615 380897814 /nfs/dbraw/zinc/89/78/14/380897814.db2.gz GDMLXQVRFLHUOC-UHFFFAOYSA-N 2 2 297.377 2.919 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OCC#N)cc1 ZINC000368101221 380924094 /nfs/dbraw/zinc/92/40/94/380924094.db2.gz KAEKSQLTRNHHQS-OCCSQVGLSA-N 2 2 296.374 2.520 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OCC#N)cc1 ZINC000368101221 380924098 /nfs/dbraw/zinc/92/40/98/380924098.db2.gz KAEKSQLTRNHHQS-OCCSQVGLSA-N 2 2 296.374 2.520 20 30 CFEDLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358564888 380932941 /nfs/dbraw/zinc/93/29/41/380932941.db2.gz XXFIOUWWMMHXCO-RYUDHWBXSA-N 2 2 263.360 2.688 20 30 CFEDLP N#CCc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000343617759 381847027 /nfs/dbraw/zinc/84/70/27/381847027.db2.gz SXYDYXJGBCUFCD-GOSISDBHSA-N 2 2 293.370 2.801 20 30 CFEDLP N#CCc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000343617759 381847037 /nfs/dbraw/zinc/84/70/37/381847037.db2.gz SXYDYXJGBCUFCD-GOSISDBHSA-N 2 2 293.370 2.801 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000361890933 381871014 /nfs/dbraw/zinc/87/10/14/381871014.db2.gz VSFFASGDXACVDX-LZLYRXPVSA-N 2 2 292.467 2.822 20 30 CFEDLP C=CCCC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374749081 382054821 /nfs/dbraw/zinc/05/48/21/382054821.db2.gz CCOYHTUKOCCOGY-UHFFFAOYSA-N 2 2 287.451 2.987 20 30 CFEDLP C=CCCC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374749081 382054826 /nfs/dbraw/zinc/05/48/26/382054826.db2.gz CCOYHTUKOCCOGY-UHFFFAOYSA-N 2 2 287.451 2.987 20 30 CFEDLP C=CCCCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376057380 382118996 /nfs/dbraw/zinc/11/89/96/382118996.db2.gz YWMRYKBTEQACAI-QZTJIDSGSA-N 2 2 293.499 2.691 20 30 CFEDLP C=CCCCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376057380 382119004 /nfs/dbraw/zinc/11/90/04/382119004.db2.gz YWMRYKBTEQACAI-QZTJIDSGSA-N 2 2 293.499 2.691 20 30 CFEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000344091162 382122631 /nfs/dbraw/zinc/12/26/31/382122631.db2.gz QUBHKIXEPCYMMU-PVAVHDDUSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000344091162 382122636 /nfs/dbraw/zinc/12/26/36/382122636.db2.gz QUBHKIXEPCYMMU-PVAVHDDUSA-N 2 2 271.408 2.789 20 30 CFEDLP C=C(C)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375511581 382088290 /nfs/dbraw/zinc/08/82/90/382088290.db2.gz GOSNGZUSYJVJTM-SWLSCSKDSA-N 2 2 279.453 2.828 20 30 CFEDLP C=C(C)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375511581 382088291 /nfs/dbraw/zinc/08/82/91/382088291.db2.gz GOSNGZUSYJVJTM-SWLSCSKDSA-N 2 2 279.453 2.828 20 30 CFEDLP N#CC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000352431930 382329763 /nfs/dbraw/zinc/32/97/63/382329763.db2.gz NOCNMIFEALVHOT-ROUUACIJSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000352431930 382329767 /nfs/dbraw/zinc/32/97/67/382329767.db2.gz NOCNMIFEALVHOT-ROUUACIJSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000352431930 382329770 /nfs/dbraw/zinc/32/97/70/382329770.db2.gz NOCNMIFEALVHOT-ROUUACIJSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000352431930 382329775 /nfs/dbraw/zinc/32/97/75/382329775.db2.gz NOCNMIFEALVHOT-ROUUACIJSA-N 2 2 295.430 2.744 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365549508 382410276 /nfs/dbraw/zinc/41/02/76/382410276.db2.gz RPJBDRYXDYQVQV-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365549508 382410281 /nfs/dbraw/zinc/41/02/81/382410281.db2.gz RPJBDRYXDYQVQV-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365549508 382410285 /nfs/dbraw/zinc/41/02/85/382410285.db2.gz RPJBDRYXDYQVQV-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365549508 382410288 /nfs/dbraw/zinc/41/02/88/382410288.db2.gz RPJBDRYXDYQVQV-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c(F)c1 ZINC000365550885 382410527 /nfs/dbraw/zinc/41/05/27/382410527.db2.gz VKBYLLASXRHZGF-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c(F)c1 ZINC000365550885 382410532 /nfs/dbraw/zinc/41/05/32/382410532.db2.gz VKBYLLASXRHZGF-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(F)c1 ZINC000365550885 382410535 /nfs/dbraw/zinc/41/05/35/382410535.db2.gz VKBYLLASXRHZGF-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c(F)c1 ZINC000365550885 382410542 /nfs/dbraw/zinc/41/05/42/382410542.db2.gz VKBYLLASXRHZGF-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000294888532 382539992 /nfs/dbraw/zinc/53/99/92/382539992.db2.gz DUOMXGYRYACEOM-GFCCVEGCSA-N 2 2 266.335 2.571 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000294888532 382539997 /nfs/dbraw/zinc/53/99/97/382539997.db2.gz DUOMXGYRYACEOM-GFCCVEGCSA-N 2 2 266.335 2.571 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353391537 382541843 /nfs/dbraw/zinc/54/18/43/382541843.db2.gz XNAUVLSADTYGBZ-SFHVURJKSA-N 2 2 281.403 2.786 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccco1 ZINC000367589974 382576875 /nfs/dbraw/zinc/57/68/75/382576875.db2.gz RSWOFGOXFZURSJ-XHSDSOJGSA-N 2 2 290.407 2.740 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccco1 ZINC000367589974 382576879 /nfs/dbraw/zinc/57/68/79/382576879.db2.gz RSWOFGOXFZURSJ-XHSDSOJGSA-N 2 2 290.407 2.740 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000295092726 382574397 /nfs/dbraw/zinc/57/43/97/382574397.db2.gz UYULPXZHFCUZRK-INIZCTEOSA-N 2 2 290.382 2.584 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000295092726 382574399 /nfs/dbraw/zinc/57/43/99/382574399.db2.gz UYULPXZHFCUZRK-INIZCTEOSA-N 2 2 290.382 2.584 20 30 CFEDLP C=C(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000346961993 382587363 /nfs/dbraw/zinc/58/73/63/382587363.db2.gz AIXCJUXAZWYTFB-WBVHZDCISA-N 2 2 273.424 2.848 20 30 CFEDLP C=C(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000346961993 382587373 /nfs/dbraw/zinc/58/73/73/382587373.db2.gz AIXCJUXAZWYTFB-WBVHZDCISA-N 2 2 273.424 2.848 20 30 CFEDLP C[C@@]1(C[NH2+]CCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000397995419 382635043 /nfs/dbraw/zinc/63/50/43/382635043.db2.gz RKQFGOWNTQMGON-INIZCTEOSA-N 2 2 257.381 2.544 20 30 CFEDLP C[C@@]1(C[NH2+]CCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000397995419 382635045 /nfs/dbraw/zinc/63/50/45/382635045.db2.gz RKQFGOWNTQMGON-INIZCTEOSA-N 2 2 257.381 2.544 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000189978984 382648304 /nfs/dbraw/zinc/64/83/04/382648304.db2.gz JQGXLHNWDQPGHL-AWEZNQCLSA-N 2 2 268.364 2.838 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000189978984 382648305 /nfs/dbraw/zinc/64/83/05/382648305.db2.gz JQGXLHNWDQPGHL-AWEZNQCLSA-N 2 2 268.364 2.838 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442648969 382941109 /nfs/dbraw/zinc/94/11/09/382941109.db2.gz MTJOPVZNRYXASS-KGLIPLIRSA-N 2 2 268.364 2.627 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000536593707 382956060 /nfs/dbraw/zinc/95/60/60/382956060.db2.gz WCMSFGMHSNALNF-HNNXBMFYSA-N 2 2 299.805 2.915 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000536593707 382956063 /nfs/dbraw/zinc/95/60/63/382956063.db2.gz WCMSFGMHSNALNF-HNNXBMFYSA-N 2 2 299.805 2.915 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000578398182 382917573 /nfs/dbraw/zinc/91/75/73/382917573.db2.gz GBWHSHZWACKANY-NVXWUHKLSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000578398182 382917575 /nfs/dbraw/zinc/91/75/75/382917575.db2.gz GBWHSHZWACKANY-NVXWUHKLSA-N 2 2 283.419 2.933 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000245724986 383027264 /nfs/dbraw/zinc/02/72/64/383027264.db2.gz IQFGYVNWXABCQM-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000245724986 383027269 /nfs/dbraw/zinc/02/72/69/383027269.db2.gz IQFGYVNWXABCQM-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000245724986 383027272 /nfs/dbraw/zinc/02/72/72/383027272.db2.gz IQFGYVNWXABCQM-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000245724986 383027278 /nfs/dbraw/zinc/02/72/78/383027278.db2.gz IQFGYVNWXABCQM-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000554889469 383147313 /nfs/dbraw/zinc/14/73/13/383147313.db2.gz OJQCTHMMIRFRPH-YOEHRIQHSA-N 2 2 280.375 2.713 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC#N ZINC000246996201 383130595 /nfs/dbraw/zinc/13/05/95/383130595.db2.gz LDCFJZQDMBSESN-DOTOQJQBSA-N 2 2 286.423 2.575 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC#N ZINC000246996201 383130599 /nfs/dbraw/zinc/13/05/99/383130599.db2.gz LDCFJZQDMBSESN-DOTOQJQBSA-N 2 2 286.423 2.575 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1OC ZINC000565270445 383177833 /nfs/dbraw/zinc/17/78/33/383177833.db2.gz CTAZBVLYRWDNRA-UHFFFAOYSA-N 2 2 292.423 2.644 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1OC ZINC000565270445 383177836 /nfs/dbraw/zinc/17/78/36/383177836.db2.gz CTAZBVLYRWDNRA-UHFFFAOYSA-N 2 2 292.423 2.644 20 30 CFEDLP Cc1cc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425209120 383340698 /nfs/dbraw/zinc/34/06/98/383340698.db2.gz QNIQFRAFNTXBKH-QGZVFWFLSA-N 2 2 298.365 2.538 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000568583645 383415906 /nfs/dbraw/zinc/41/59/06/383415906.db2.gz CCWMBRJSWNWUCY-HNNXBMFYSA-N 2 2 299.805 2.915 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000568583645 383415909 /nfs/dbraw/zinc/41/59/09/383415909.db2.gz CCWMBRJSWNWUCY-HNNXBMFYSA-N 2 2 299.805 2.915 20 30 CFEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000483964994 383453346 /nfs/dbraw/zinc/45/33/46/383453346.db2.gz LXSFHEVOYYAYKS-LJQANCHMSA-N 2 2 282.431 2.702 20 30 CFEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000483964994 383453351 /nfs/dbraw/zinc/45/33/51/383453351.db2.gz LXSFHEVOYYAYKS-LJQANCHMSA-N 2 2 282.431 2.702 20 30 CFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483964994 383453355 /nfs/dbraw/zinc/45/33/55/383453355.db2.gz LXSFHEVOYYAYKS-LJQANCHMSA-N 2 2 282.431 2.702 20 30 CFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483964994 383453361 /nfs/dbraw/zinc/45/33/61/383453361.db2.gz LXSFHEVOYYAYKS-LJQANCHMSA-N 2 2 282.431 2.702 20 30 CFEDLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1C#N ZINC000527807699 383471608 /nfs/dbraw/zinc/47/16/08/383471608.db2.gz ICQSZWGVGLPFHF-SFHVURJKSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1C#N ZINC000527807699 383471611 /nfs/dbraw/zinc/47/16/11/383471611.db2.gz ICQSZWGVGLPFHF-SFHVURJKSA-N 2 2 283.419 2.973 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000435737270 383779388 /nfs/dbraw/zinc/77/93/88/383779388.db2.gz GLXOQJPADKIBLC-AEFFLSMTSA-N 2 2 297.402 2.943 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000572727838 383811488 /nfs/dbraw/zinc/81/14/88/383811488.db2.gz SFXGJXWESDOJDD-UHFFFAOYSA-N 2 2 278.371 2.574 20 30 CFEDLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000278253508 384510336 /nfs/dbraw/zinc/51/03/36/384510336.db2.gz MUFPGADSBPWWFW-XJKSGUPXSA-N 2 2 268.364 2.884 20 30 CFEDLP C=C(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000268821277 384668433 /nfs/dbraw/zinc/66/84/33/384668433.db2.gz LZOOFFLJAQBJED-GOEBONIOSA-N 2 2 256.393 2.915 20 30 CFEDLP C=C(C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000268821277 384668438 /nfs/dbraw/zinc/66/84/38/384668438.db2.gz LZOOFFLJAQBJED-GOEBONIOSA-N 2 2 256.393 2.915 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3OC)CC1 ZINC000268860054 384679708 /nfs/dbraw/zinc/67/97/08/384679708.db2.gz HQBAYGNAKUGEKR-KRWDZBQOSA-N 2 2 286.419 2.923 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2csc(C)n2)CC1 ZINC000269424674 384758156 /nfs/dbraw/zinc/75/81/56/384758156.db2.gz NFEHBIAPGNVPQX-NSHDSACASA-N 2 2 265.426 2.753 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000289265582 197279861 /nfs/dbraw/zinc/27/98/61/197279861.db2.gz NBAWSIHPTYUGHA-CRAIPNDOSA-N 2 2 279.387 2.948 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000289265582 197279862 /nfs/dbraw/zinc/27/98/62/197279862.db2.gz NBAWSIHPTYUGHA-CRAIPNDOSA-N 2 2 279.387 2.948 20 30 CFEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271937464 385405713 /nfs/dbraw/zinc/40/57/13/385405713.db2.gz NRQFPXOWWOPMRG-RYUDHWBXSA-N 2 2 272.327 2.633 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271963248 385412498 /nfs/dbraw/zinc/41/24/98/385412498.db2.gz RTDQSEYYCCTRSP-XUJVJEKNSA-N 2 2 287.382 2.973 20 30 CFEDLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271974223 385415716 /nfs/dbraw/zinc/41/57/16/385415716.db2.gz XJGLGGGZUBNCRY-LBPRGKRZSA-N 2 2 275.371 2.832 20 30 CFEDLP C#CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272588928 385570000 /nfs/dbraw/zinc/57/00/00/385570000.db2.gz HPDVVYKWSBZTPY-IEBWSBKVSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272588928 385570003 /nfs/dbraw/zinc/57/00/03/385570003.db2.gz HPDVVYKWSBZTPY-IEBWSBKVSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272588928 385570007 /nfs/dbraw/zinc/57/00/07/385570007.db2.gz HPDVVYKWSBZTPY-IEBWSBKVSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272588928 385570008 /nfs/dbraw/zinc/57/00/08/385570008.db2.gz HPDVVYKWSBZTPY-IEBWSBKVSA-N 2 2 298.430 2.615 20 30 CFEDLP C=CCOCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000681083752 542407907 /nfs/dbraw/zinc/40/79/07/542407907.db2.gz YGMADGOQENNFJM-WMZOPIPTSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CCOCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000681083752 542407910 /nfs/dbraw/zinc/40/79/10/542407910.db2.gz YGMADGOQENNFJM-WMZOPIPTSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183499725 393521269 /nfs/dbraw/zinc/52/12/69/393521269.db2.gz ILGAGVPUVYATAV-ZDUSSCGKSA-N 2 2 260.381 2.693 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000081094940 393731466 /nfs/dbraw/zinc/73/14/66/393731466.db2.gz AWKLANRZBGTVMD-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000081094940 393731468 /nfs/dbraw/zinc/73/14/68/393731468.db2.gz AWKLANRZBGTVMD-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000081094940 393731471 /nfs/dbraw/zinc/73/14/71/393731471.db2.gz AWKLANRZBGTVMD-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000081094940 393731474 /nfs/dbraw/zinc/73/14/74/393731474.db2.gz AWKLANRZBGTVMD-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960977 393785288 /nfs/dbraw/zinc/78/52/88/393785288.db2.gz FACOMTLLLBHBAS-WFASDCNBSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960977 393785290 /nfs/dbraw/zinc/78/52/90/393785290.db2.gz FACOMTLLLBHBAS-WFASDCNBSA-N 2 2 286.404 2.899 20 30 CFEDLP N#CC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000343318329 393884184 /nfs/dbraw/zinc/88/41/84/393884184.db2.gz GDHXUKAPTVBGFE-MRXNPFEDSA-N 2 2 275.440 2.878 20 30 CFEDLP N#CC1(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000343318329 393884186 /nfs/dbraw/zinc/88/41/86/393884186.db2.gz GDHXUKAPTVBGFE-MRXNPFEDSA-N 2 2 275.440 2.878 20 30 CFEDLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](C)C#N ZINC000346201957 393923657 /nfs/dbraw/zinc/92/36/57/393923657.db2.gz IWUPWEQKNICEOW-LBPRGKRZSA-N 2 2 274.393 2.915 20 30 CFEDLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](C)C#N ZINC000346201957 393923661 /nfs/dbraw/zinc/92/36/61/393923661.db2.gz IWUPWEQKNICEOW-LBPRGKRZSA-N 2 2 274.393 2.915 20 30 CFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000119992126 393928328 /nfs/dbraw/zinc/92/83/28/393928328.db2.gz MWHFTQLNHCGFPS-AWEZNQCLSA-N 2 2 274.412 2.614 20 30 CFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000119992126 393928330 /nfs/dbraw/zinc/92/83/30/393928330.db2.gz MWHFTQLNHCGFPS-AWEZNQCLSA-N 2 2 274.412 2.614 20 30 CFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCCC1)c1cccs1 ZINC000262326002 393954626 /nfs/dbraw/zinc/95/46/26/393954626.db2.gz QZKKDBLYYUOACK-ZDUSSCGKSA-N 2 2 294.468 2.588 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000349295225 393966719 /nfs/dbraw/zinc/96/67/19/393966719.db2.gz AMNKNDYBRFNQBO-DDBAPUKQSA-N 2 2 283.419 2.789 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000349295225 393966722 /nfs/dbraw/zinc/96/67/22/393966722.db2.gz AMNKNDYBRFNQBO-DDBAPUKQSA-N 2 2 283.419 2.789 20 30 CFEDLP C#C[C@H](CC)[NH2+]Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000491668581 394055937 /nfs/dbraw/zinc/05/59/37/394055937.db2.gz ZDENSWKZOLYECT-CYBMUJFWSA-N 2 2 255.365 2.959 20 30 CFEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000278336796 394060577 /nfs/dbraw/zinc/06/05/77/394060577.db2.gz XBRQMGUDKZPZIK-CVEARBPZSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000278336796 394060581 /nfs/dbraw/zinc/06/05/81/394060581.db2.gz XBRQMGUDKZPZIK-CVEARBPZSA-N 2 2 257.381 2.693 20 30 CFEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000448030000 394154501 /nfs/dbraw/zinc/15/45/01/394154501.db2.gz RKPBGYWHPGTJSZ-ILXRZTDVSA-N 2 2 263.429 2.779 20 30 CFEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000448030000 394154505 /nfs/dbraw/zinc/15/45/05/394154505.db2.gz RKPBGYWHPGTJSZ-ILXRZTDVSA-N 2 2 263.429 2.779 20 30 CFEDLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1F ZINC000136074675 394229520 /nfs/dbraw/zinc/22/95/20/394229520.db2.gz AAACQWZVNAOKOY-UHFFFAOYSA-N 2 2 287.338 2.642 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000174263941 394378287 /nfs/dbraw/zinc/37/82/87/394378287.db2.gz FPFPSVGXGNNUFR-UHFFFAOYSA-N 2 2 283.379 2.687 20 30 CFEDLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1C#N ZINC000527808666 394411197 /nfs/dbraw/zinc/41/11/97/394411197.db2.gz KJTWEUVXFKJGSZ-QGZVFWFLSA-N 2 2 299.418 2.673 20 30 CFEDLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1C#N ZINC000527808666 394411199 /nfs/dbraw/zinc/41/11/99/394411199.db2.gz KJTWEUVXFKJGSZ-QGZVFWFLSA-N 2 2 299.418 2.673 20 30 CFEDLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1C#N ZINC000527812319 394411924 /nfs/dbraw/zinc/41/19/24/394411924.db2.gz ZULLEMIOKNAMAZ-QGZVFWFLSA-N 2 2 299.418 2.673 20 30 CFEDLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1C#N ZINC000527812319 394411925 /nfs/dbraw/zinc/41/19/25/394411925.db2.gz ZULLEMIOKNAMAZ-QGZVFWFLSA-N 2 2 299.418 2.673 20 30 CFEDLP C=C(C)[C@@H](CO)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856196 413619451 /nfs/dbraw/zinc/61/94/51/413619451.db2.gz FUDMUAQMEBYELI-QGZVFWFLSA-N 2 2 299.418 2.754 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000037292760 173097770 /nfs/dbraw/zinc/09/77/70/173097770.db2.gz ZMKFWIIEXXTNQW-RRQGHBQHSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000037292760 173097771 /nfs/dbraw/zinc/09/77/71/173097771.db2.gz ZMKFWIIEXXTNQW-RRQGHBQHSA-N 2 2 269.392 2.836 20 30 CFEDLP C=CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000658294196 414352798 /nfs/dbraw/zinc/35/27/98/414352798.db2.gz MEXOPTDASUAZQH-IAGOWNOFSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CC[C@@]1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CCC[NH2+]1 ZINC000662708122 414596441 /nfs/dbraw/zinc/59/64/41/414596441.db2.gz OZNKMZLCJSJEQT-KRWDZBQOSA-N 2 2 296.374 2.714 20 30 CFEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCCC#N)[C@@H](C)C2)s1 ZINC000364917564 262264757 /nfs/dbraw/zinc/26/47/57/262264757.db2.gz QSGRNMOUPCYFLI-WFASDCNBSA-N 2 2 292.452 2.555 20 30 CFEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCCC#N)[C@@H](C)C2)s1 ZINC000364917564 262264759 /nfs/dbraw/zinc/26/47/59/262264759.db2.gz QSGRNMOUPCYFLI-WFASDCNBSA-N 2 2 292.452 2.555 20 30 CFEDLP Cc1[nH+]ccn1CCC[N@H+](CCC#N)Cc1ccco1 ZINC000336820644 262397684 /nfs/dbraw/zinc/39/76/84/262397684.db2.gz DUSZTVPQPVKZQK-UHFFFAOYSA-N 2 2 272.352 2.591 20 30 CFEDLP Cc1[nH+]ccn1CCC[N@@H+](CCC#N)Cc1ccco1 ZINC000336820644 262397685 /nfs/dbraw/zinc/39/76/85/262397685.db2.gz DUSZTVPQPVKZQK-UHFFFAOYSA-N 2 2 272.352 2.591 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000278281492 263046430 /nfs/dbraw/zinc/04/64/30/263046430.db2.gz PZMCKULWNGXNGJ-SQNIBIBYSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000278281492 263046431 /nfs/dbraw/zinc/04/64/31/263046431.db2.gz PZMCKULWNGXNGJ-SQNIBIBYSA-N 2 2 283.419 2.933 20 30 CFEDLP C=CCOc1ccc(C[NH2+]CC[NH2+]CCC)cc1Cl ZINC000414867438 263080100 /nfs/dbraw/zinc/08/01/00/263080100.db2.gz IOOJKYGXUMFLRC-UHFFFAOYSA-N 2 2 282.815 2.994 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000294182520 263157046 /nfs/dbraw/zinc/15/70/46/263157046.db2.gz QOAPHHGWUGBUCU-CABCVRRESA-N 2 2 285.391 2.926 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000294182556 263157091 /nfs/dbraw/zinc/15/70/91/263157091.db2.gz QOAPHHGWUGBUCU-HUUCEWRRSA-N 2 2 285.391 2.926 20 30 CFEDLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@@H](CC#N)C3)n2c1 ZINC000295128548 263172999 /nfs/dbraw/zinc/17/29/99/263172999.db2.gz XQHPEQPNNITGKG-KBPBESRZSA-N 2 2 268.364 2.815 20 30 CFEDLP CC[NH2+]CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423236926 273685506 /nfs/dbraw/zinc/68/55/06/273685506.db2.gz PGDDZSRCDXNIKM-INIZCTEOSA-N 2 2 257.381 2.525 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000192034719 275388705 /nfs/dbraw/zinc/38/87/05/275388705.db2.gz HTOKDGJZNYHIKM-LJQANCHMSA-N 2 2 282.431 2.988 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000192034719 275388706 /nfs/dbraw/zinc/38/87/06/275388706.db2.gz HTOKDGJZNYHIKM-LJQANCHMSA-N 2 2 282.431 2.988 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000192121877 275388712 /nfs/dbraw/zinc/38/87/12/275388712.db2.gz ZNPSRPVYZZVWBC-UYAOXDASSA-N 2 2 294.442 2.987 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000192121877 275388713 /nfs/dbraw/zinc/38/87/13/275388713.db2.gz ZNPSRPVYZZVWBC-UYAOXDASSA-N 2 2 294.442 2.987 20 30 CFEDLP C(#Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000192121877 275388714 /nfs/dbraw/zinc/38/87/14/275388714.db2.gz ZNPSRPVYZZVWBC-UYAOXDASSA-N 2 2 294.442 2.987 20 30 CFEDLP C(#Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000192121877 275388715 /nfs/dbraw/zinc/38/87/15/275388715.db2.gz ZNPSRPVYZZVWBC-UYAOXDASSA-N 2 2 294.442 2.987 20 30 CFEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000348412084 279134138 /nfs/dbraw/zinc/13/41/38/279134138.db2.gz ZCXYQBPEEXWXFK-CABCVRRESA-N 2 2 263.429 2.780 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccncc2F)CC1 ZINC000340478357 328282375 /nfs/dbraw/zinc/28/23/75/328282375.db2.gz JGUIQIVDSKXSPB-LBPRGKRZSA-N 2 2 263.360 2.522 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)o1 ZINC000174342274 323647299 /nfs/dbraw/zinc/64/72/99/323647299.db2.gz KIYRJGMHAVGNFU-UHFFFAOYSA-N 2 2 270.336 2.528 20 30 CFEDLP N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000560857261 327348222 /nfs/dbraw/zinc/34/82/22/327348222.db2.gz IQMSLYNWIGAYTO-CQSZACIVSA-N 2 2 297.337 2.545 20 30 CFEDLP C#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000377618069 329020649 /nfs/dbraw/zinc/02/06/49/329020649.db2.gz SORVXKDGJSNVCD-UHFFFAOYSA-N 2 2 288.354 2.538 20 30 CFEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CC(C)(C)CCC#N)CCC2 ZINC000377830943 329030694 /nfs/dbraw/zinc/03/06/94/329030694.db2.gz INXBFZLXYNGBJI-AWEZNQCLSA-N 2 2 274.412 2.989 20 30 CFEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000378162634 329041950 /nfs/dbraw/zinc/04/19/50/329041950.db2.gz XJIXSTYIBFKASH-JKSUJKDBSA-N 2 2 291.439 2.798 20 30 CFEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000378162634 329041951 /nfs/dbraw/zinc/04/19/51/329041951.db2.gz XJIXSTYIBFKASH-JKSUJKDBSA-N 2 2 291.439 2.798 20 30 CFEDLP C=CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177159008 329181492 /nfs/dbraw/zinc/18/14/92/329181492.db2.gz COBVCOVVPHLKQK-UHFFFAOYSA-N 2 2 268.364 2.665 20 30 CFEDLP COc1ccc([C@H]([NH2+]CCCCC#N)[C@H]2CCC[NH2+]2)cc1 ZINC000422975857 330164788 /nfs/dbraw/zinc/16/47/88/330164788.db2.gz UGBTURWAKWDQNE-SJORKVTESA-N 2 2 287.407 2.772 20 30 CFEDLP CC1(C#N)CCC([NH2+]C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423239949 330181290 /nfs/dbraw/zinc/18/12/90/330181290.db2.gz BWQSHSSIJPPXMP-PCKAHOCUSA-N 2 2 257.381 2.748 20 30 CFEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000424189371 330322250 /nfs/dbraw/zinc/32/22/50/330322250.db2.gz DIXSMWOHNCCUOG-OWLYRPNTSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000424189371 330322251 /nfs/dbraw/zinc/32/22/51/330322251.db2.gz DIXSMWOHNCCUOG-OWLYRPNTSA-N 2 2 283.419 2.931 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000442714891 330780535 /nfs/dbraw/zinc/78/05/35/330780535.db2.gz MATJEJOZSTYPFD-RHSMWYFYSA-N 2 2 280.375 2.713 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000449165201 330902868 /nfs/dbraw/zinc/90/28/68/330902868.db2.gz UNLUPOFTYZBVRF-HOTGVXAUSA-N 2 2 268.445 2.679 20 30 CFEDLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450877934 331004283 /nfs/dbraw/zinc/00/42/83/331004283.db2.gz RJOGTPUMXXYDAI-QGZVFWFLSA-N 2 2 298.434 2.529 20 30 CFEDLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450877934 331004284 /nfs/dbraw/zinc/00/42/84/331004284.db2.gz RJOGTPUMXXYDAI-QGZVFWFLSA-N 2 2 298.434 2.529 20 30 CFEDLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450877934 331004285 /nfs/dbraw/zinc/00/42/85/331004285.db2.gz RJOGTPUMXXYDAI-QGZVFWFLSA-N 2 2 298.434 2.529 20 30 CFEDLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450877934 331004286 /nfs/dbraw/zinc/00/42/86/331004286.db2.gz RJOGTPUMXXYDAI-QGZVFWFLSA-N 2 2 298.434 2.529 20 30 CFEDLP C[N@H+](CCCC#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122740 331055027 /nfs/dbraw/zinc/05/50/27/331055027.db2.gz VLFPKPVAQVWORI-UHFFFAOYSA-N 2 2 277.334 2.639 20 30 CFEDLP C[N@@H+](CCCC#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122740 331055028 /nfs/dbraw/zinc/05/50/28/331055028.db2.gz VLFPKPVAQVWORI-UHFFFAOYSA-N 2 2 277.334 2.639 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc(C#N)c1 ZINC000423396655 533886595 /nfs/dbraw/zinc/88/65/95/533886595.db2.gz UCPHDQILOSCBBP-BBRMVZONSA-N 2 2 271.408 2.987 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156494669 534039538 /nfs/dbraw/zinc/03/95/38/534039538.db2.gz JHONGLBOUQTFHH-PBHICJAKSA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156494669 534039544 /nfs/dbraw/zinc/03/95/44/534039544.db2.gz JHONGLBOUQTFHH-PBHICJAKSA-N 2 2 280.375 2.838 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)c3F)CC[C@H]21 ZINC000300240096 523855663 /nfs/dbraw/zinc/85/56/63/523855663.db2.gz HZZKFWIBCBRMEO-GOEBONIOSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C#N)c3F)CC[C@H]21 ZINC000300240096 523855668 /nfs/dbraw/zinc/85/56/68/523855668.db2.gz HZZKFWIBCBRMEO-GOEBONIOSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C#N)c3F)CC[C@H]21 ZINC000300240096 523855680 /nfs/dbraw/zinc/85/56/80/523855680.db2.gz HZZKFWIBCBRMEO-GOEBONIOSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C#N)c3F)CC[C@H]21 ZINC000300240096 523855683 /nfs/dbraw/zinc/85/56/83/523855683.db2.gz HZZKFWIBCBRMEO-GOEBONIOSA-N 2 2 287.382 2.613 20 30 CFEDLP N#Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1F ZINC000334919012 526548609 /nfs/dbraw/zinc/54/86/09/526548609.db2.gz LXEHALZCSWJFFW-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)cc(C)n2)CC1 ZINC000347674442 526602624 /nfs/dbraw/zinc/60/26/24/526602624.db2.gz DYFHZWDELVDGHC-UHFFFAOYSA-N 2 2 289.423 2.529 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000106245573 526605104 /nfs/dbraw/zinc/60/51/04/526605104.db2.gz CQEPFERXBOFMLX-UHFFFAOYSA-N 2 2 288.391 2.545 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000347067961 526864795 /nfs/dbraw/zinc/86/47/95/526864795.db2.gz NFHUWVGQGRTVIO-PBHICJAKSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cc1 ZINC000347067961 526864798 /nfs/dbraw/zinc/86/47/98/526864798.db2.gz NFHUWVGQGRTVIO-PBHICJAKSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000353875431 526889636 /nfs/dbraw/zinc/88/96/36/526889636.db2.gz YWOPHQFIUCQMJM-KBXCAEBGSA-N 2 2 286.419 2.824 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000353875431 526889638 /nfs/dbraw/zinc/88/96/38/526889638.db2.gz YWOPHQFIUCQMJM-KBXCAEBGSA-N 2 2 286.419 2.824 20 30 CFEDLP CCC[NH2+]CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423306331 528517825 /nfs/dbraw/zinc/51/78/25/528517825.db2.gz DLSSQNDCSXVJAV-KRWDZBQOSA-N 2 2 271.408 2.915 20 30 CFEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000900458234 620679046 /nfs/dbraw/zinc/67/90/46/620679046.db2.gz MVIUFZNWBDKILH-UHFFFAOYSA-N 2 2 284.363 2.523 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000892105140 617952737 /nfs/dbraw/zinc/95/27/37/617952737.db2.gz JCBFBRMZLCLFNQ-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000892105140 617952740 /nfs/dbraw/zinc/95/27/40/617952740.db2.gz JCBFBRMZLCLFNQ-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000892105140 617952742 /nfs/dbraw/zinc/95/27/42/617952742.db2.gz JCBFBRMZLCLFNQ-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000892105140 617952747 /nfs/dbraw/zinc/95/27/47/617952747.db2.gz JCBFBRMZLCLFNQ-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2csc(C#N)c2)CC[N@@H+]1C ZINC000892105586 617954031 /nfs/dbraw/zinc/95/40/31/617954031.db2.gz NVOWARNVMKUCAV-DGCLKSJQSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2csc(C#N)c2)CC[N@H+]1C ZINC000892105586 617954035 /nfs/dbraw/zinc/95/40/35/617954035.db2.gz NVOWARNVMKUCAV-DGCLKSJQSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2csc(C#N)c2)CC[NH+]1C ZINC000892105586 617954038 /nfs/dbraw/zinc/95/40/38/617954038.db2.gz NVOWARNVMKUCAV-DGCLKSJQSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)CC[NH+]1C ZINC000892105586 617954041 /nfs/dbraw/zinc/95/40/41/617954041.db2.gz NVOWARNVMKUCAV-DGCLKSJQSA-N 2 2 263.410 2.534 20 30 CFEDLP N#CCc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926629345 618318396 /nfs/dbraw/zinc/31/83/96/618318396.db2.gz WLIZSVWTGORCEU-ZWKOTPCHSA-N 2 2 283.419 2.859 20 30 CFEDLP N#CCc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926629345 618318402 /nfs/dbraw/zinc/31/84/02/618318402.db2.gz WLIZSVWTGORCEU-ZWKOTPCHSA-N 2 2 283.419 2.859 20 30 CFEDLP C=C(C[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925634691 618367935 /nfs/dbraw/zinc/36/79/35/618367935.db2.gz JWVOMDSQPVRVJA-INIZCTEOSA-N 2 2 256.393 2.964 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)C[C@@](C)(O)CC)CC1 ZINC000924984074 619317122 /nfs/dbraw/zinc/31/71/22/619317122.db2.gz MPHCWWAWNZOBFM-ZBFHGGJFSA-N 2 2 268.445 2.556 20 30 CFEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000924999697 619325795 /nfs/dbraw/zinc/32/57/95/619325795.db2.gz GBYIMVFCCZSPMI-CQSZACIVSA-N 2 2 295.471 2.794 20 30 CFEDLP COc1cccc(/C=[NH+]\CCCC[N@H+](C)C2CC2)c1O ZINC000840708631 619881890 /nfs/dbraw/zinc/88/18/90/619881890.db2.gz CMCSZYPEMQLTCN-ATVHPVEESA-N 2 2 276.380 2.694 20 30 CFEDLP COc1cccc(/C=[NH+]\CCCC[N@@H+](C)C2CC2)c1O ZINC000840708631 619881894 /nfs/dbraw/zinc/88/18/94/619881894.db2.gz CMCSZYPEMQLTCN-ATVHPVEESA-N 2 2 276.380 2.694 20 30 CFEDLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000926966799 620434339 /nfs/dbraw/zinc/43/43/39/620434339.db2.gz YEICZWYMZJOXTJ-ZWKOTPCHSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000926966799 620434340 /nfs/dbraw/zinc/43/43/40/620434340.db2.gz YEICZWYMZJOXTJ-ZWKOTPCHSA-N 2 2 283.419 2.973 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000924672186 620437585 /nfs/dbraw/zinc/43/75/85/620437585.db2.gz JOXUKLCBONWBEH-UONOGXRCSA-N 2 2 251.418 2.779 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000924672186 620437586 /nfs/dbraw/zinc/43/75/86/620437586.db2.gz JOXUKLCBONWBEH-UONOGXRCSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000902742780 621163117 /nfs/dbraw/zinc/16/31/17/621163117.db2.gz YBXVNJKVPMVIRV-BBRMVZONSA-N 2 2 268.364 2.884 20 30 CFEDLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902759468 621166601 /nfs/dbraw/zinc/16/66/01/621166601.db2.gz YCRFJHRZNZAGJS-CZUORRHYSA-N 2 2 297.406 2.915 20 30 CFEDLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000902962807 621215294 /nfs/dbraw/zinc/21/52/94/621215294.db2.gz MHBOSKLMDCYNQF-JKSUJKDBSA-N 2 2 280.375 2.810 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000902992771 621219885 /nfs/dbraw/zinc/21/98/85/621219885.db2.gz LZEYUDFAYNOSNA-GJZGRUSLSA-N 2 2 280.375 2.880 20 30 CFEDLP C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903092692 621257589 /nfs/dbraw/zinc/25/75/89/621257589.db2.gz DMRJRJPYPFZBGP-GOEBONIOSA-N 2 2 285.391 2.850 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000903091968 621257747 /nfs/dbraw/zinc/25/77/47/621257747.db2.gz DXGWDFQRFCBNLR-HOTGVXAUSA-N 2 2 296.842 2.859 20 30 CFEDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903425124 621380016 /nfs/dbraw/zinc/38/00/16/621380016.db2.gz SZJISXYDTHBKAO-SMDDNHRTSA-N 2 2 277.799 2.771 20 30 CFEDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903425124 621380018 /nfs/dbraw/zinc/38/00/18/621380018.db2.gz SZJISXYDTHBKAO-SMDDNHRTSA-N 2 2 277.799 2.771 20 30 CFEDLP N#CC1CCC(C[N@@H+]2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000903460793 621381288 /nfs/dbraw/zinc/38/12/88/621381288.db2.gz IGHROQJENURVJX-JMLCCBQJSA-N 2 2 283.419 2.874 20 30 CFEDLP N#CC1CCC(C[N@H+]2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000903460793 621381292 /nfs/dbraw/zinc/38/12/92/621381292.db2.gz IGHROQJENURVJX-JMLCCBQJSA-N 2 2 283.419 2.874 20 30 CFEDLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1C#N ZINC000903481552 621391762 /nfs/dbraw/zinc/39/17/62/621391762.db2.gz FXMNIJCSBDWMBJ-MRXNPFEDSA-N 2 2 269.392 2.631 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000774133708 627891908 /nfs/dbraw/zinc/89/19/08/627891908.db2.gz GZGLROAOSMSKMT-KKUMJFAQSA-N 2 2 274.412 2.970 20 30 CFEDLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776163767 628109574 /nfs/dbraw/zinc/10/95/74/628109574.db2.gz WEUSNHMCSAKTGG-CABCVRRESA-N 2 2 287.407 2.724 20 30 CFEDLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776163767 628109578 /nfs/dbraw/zinc/10/95/78/628109578.db2.gz WEUSNHMCSAKTGG-CABCVRRESA-N 2 2 287.407 2.724 20 30 CFEDLP C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000791567478 629334344 /nfs/dbraw/zinc/33/43/44/629334344.db2.gz YVZASXJWYWAEPB-SFHVURJKSA-N 2 2 288.435 2.521 20 30 CFEDLP C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000791567478 629334349 /nfs/dbraw/zinc/33/43/49/629334349.db2.gz YVZASXJWYWAEPB-SFHVURJKSA-N 2 2 288.435 2.521 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000852743768 634819496 /nfs/dbraw/zinc/81/94/96/634819496.db2.gz JRINUWRYJHKGAF-LBPRGKRZSA-N 2 2 297.324 2.748 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000852743768 634819498 /nfs/dbraw/zinc/81/94/98/634819498.db2.gz JRINUWRYJHKGAF-LBPRGKRZSA-N 2 2 297.324 2.748 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000817916647 632733722 /nfs/dbraw/zinc/73/37/22/632733722.db2.gz ADNNZBOLLYZADD-YSVLISHTSA-N 2 2 287.407 2.598 20 30 CFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938136 632742975 /nfs/dbraw/zinc/74/29/75/632742975.db2.gz FDBAVLZWVBANOH-JJRVBVJISA-N 2 2 275.440 2.943 20 30 CFEDLP C#CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000848536525 633281732 /nfs/dbraw/zinc/28/17/32/633281732.db2.gz QUOBKNRYIZRMBG-OALUTQOASA-N 2 2 298.430 2.594 20 30 CFEDLP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000850342576 633946560 /nfs/dbraw/zinc/94/65/60/633946560.db2.gz HTOVKTBFVCEMGC-MRXNPFEDSA-N 2 2 256.393 2.630 20 30 CFEDLP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000850342576 633946563 /nfs/dbraw/zinc/94/65/63/633946563.db2.gz HTOVKTBFVCEMGC-MRXNPFEDSA-N 2 2 256.393 2.630 20 30 CFEDLP C=CCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000850354603 633952070 /nfs/dbraw/zinc/95/20/70/633952070.db2.gz PPVABMVPGFPMBK-UHFFFAOYSA-N 2 2 273.424 2.887 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C=CCC3)CC2)cc1 ZINC000850359226 633955667 /nfs/dbraw/zinc/95/56/67/633955667.db2.gz AKMRMBAYHBLKHE-QGZVFWFLSA-N 2 2 281.403 2.831 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000850471393 634006874 /nfs/dbraw/zinc/00/68/74/634006874.db2.gz PTVNRBDBZVFSGR-GFCCVEGCSA-N 2 2 281.350 2.625 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000850471393 634006878 /nfs/dbraw/zinc/00/68/78/634006878.db2.gz PTVNRBDBZVFSGR-GFCCVEGCSA-N 2 2 281.350 2.625 20 30 CFEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858286128 636176336 /nfs/dbraw/zinc/17/63/36/636176336.db2.gz SVBQMSBPRTVGAF-SFHVURJKSA-N 2 2 298.430 2.805 20 30 CFEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858286128 636176344 /nfs/dbraw/zinc/17/63/44/636176344.db2.gz SVBQMSBPRTVGAF-SFHVURJKSA-N 2 2 298.430 2.805 20 30 CFEDLP Cc1cc(N[NH+]=C2CCCCc3ccc(N)cc32)cc[nH+]1 ZINC000863160548 637575476 /nfs/dbraw/zinc/57/54/76/637575476.db2.gz JMQYYWXHSCDXHT-UHFFFAOYSA-N 2 2 280.375 2.937 20 30 CFEDLP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1O ZINC000866349291 638801677 /nfs/dbraw/zinc/80/16/77/638801677.db2.gz HZSVVKFQQLMHCE-CYBMUJFWSA-N 2 2 299.418 2.789 20 30 CFEDLP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866373786 638808172 /nfs/dbraw/zinc/80/81/72/638808172.db2.gz SREKMFBQEROMFD-ZIAGYGMSSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866373786 638808173 /nfs/dbraw/zinc/80/81/73/638808173.db2.gz SREKMFBQEROMFD-ZIAGYGMSSA-N 2 2 287.407 2.646 20 30 CFEDLP N#Cc1ccc2c(c1)C[N@@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873214021 642070080 /nfs/dbraw/zinc/07/00/80/642070080.db2.gz UZGZNKDVVXITMR-UHFFFAOYSA-N 2 2 295.411 2.781 20 30 CFEDLP N#Cc1ccc2c(c1)C[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873214021 642070086 /nfs/dbraw/zinc/07/00/86/642070086.db2.gz UZGZNKDVVXITMR-UHFFFAOYSA-N 2 2 295.411 2.781 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1cccc(C#N)c1 ZINC000873236863 642088440 /nfs/dbraw/zinc/08/84/40/642088440.db2.gz JSOBYMFPXIGOSE-XJKSGUPXSA-N 2 2 271.408 2.987 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000125257876 642577935 /nfs/dbraw/zinc/57/79/35/642577935.db2.gz ONIDWYZTXPDPMG-UHFFFAOYSA-N 2 2 286.419 2.615 20 30 CFEDLP C#CCOc1ccccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000125257876 642577940 /nfs/dbraw/zinc/57/79/40/642577940.db2.gz ONIDWYZTXPDPMG-UHFFFAOYSA-N 2 2 286.419 2.615 20 30 CFEDLP C#CCCCCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000879060770 644128280 /nfs/dbraw/zinc/12/82/80/644128280.db2.gz GJNHOSUXZWWJTA-UHFFFAOYSA-N 2 2 292.467 2.757 20 30 CFEDLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)ccc1C#N ZINC000880473730 644728513 /nfs/dbraw/zinc/72/85/13/644728513.db2.gz MHEMQGMJRDGNIW-UHFFFAOYSA-N 2 2 283.419 2.927 20 30 CFEDLP C#CCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570062 644768712 /nfs/dbraw/zinc/76/87/12/644768712.db2.gz SVSYIDMFUYWRJG-MRXNPFEDSA-N 2 2 253.349 2.627 20 30 CFEDLP CCCCCCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+](C)C ZINC000303719219 650999950 /nfs/dbraw/zinc/99/99/50/650999950.db2.gz VRNRCVCVCCLZDY-INIZCTEOSA-N 2 2 290.455 2.774 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000883185916 645648166 /nfs/dbraw/zinc/64/81/66/645648166.db2.gz GVCYKOJFWABDAW-BPUTZDHNSA-N 2 2 266.429 2.573 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000883185916 645648170 /nfs/dbraw/zinc/64/81/70/645648170.db2.gz GVCYKOJFWABDAW-BPUTZDHNSA-N 2 2 266.429 2.573 20 30 CFEDLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1 ZINC000925710858 648290572 /nfs/dbraw/zinc/29/05/72/648290572.db2.gz CFSSVSSSRYOCRH-KDOFPFPSSA-N 2 2 279.387 2.779 20 30 CFEDLP CSc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1C#N ZINC000925773861 648317696 /nfs/dbraw/zinc/31/76/96/648317696.db2.gz PYNRBWKWBWDXJV-DOMZBBRYSA-N 2 2 289.448 2.900 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926427223 648483924 /nfs/dbraw/zinc/48/39/24/648483924.db2.gz XLKGMJKGZGHHFX-HUUCEWRRSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926427223 648483926 /nfs/dbraw/zinc/48/39/26/648483926.db2.gz XLKGMJKGZGHHFX-HUUCEWRRSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(C#N)c1O ZINC000926474032 648500873 /nfs/dbraw/zinc/50/08/73/648500873.db2.gz NISTZGHYCRKQMP-WFASDCNBSA-N 2 2 275.396 2.502 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926673932 648570293 /nfs/dbraw/zinc/57/02/93/648570293.db2.gz MGXOOFZBAOESDE-KFWWJZLASA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926673932 648570295 /nfs/dbraw/zinc/57/02/95/648570295.db2.gz MGXOOFZBAOESDE-KFWWJZLASA-N 2 2 263.429 2.921 20 30 CFEDLP Cc1[nH]c(C2CC[NH+](Cc3cncc(C#N)c3)CC2)[nH+]c1C ZINC000931748146 649483378 /nfs/dbraw/zinc/48/33/78/649483378.db2.gz JQKWVMKVKJVADH-UHFFFAOYSA-N 2 2 295.390 2.673 20 30 CFEDLP C#Cc1cccc(C[NH+]2CCC([NH+](CC)CC)CC2)c1 ZINC001231659662 777297371 /nfs/dbraw/zinc/29/73/71/777297371.db2.gz QRHQKRNBICLYRH-UHFFFAOYSA-N 2 2 270.420 2.974 20 30 CFEDLP N#Cc1cccc(C2CC[NH+](C[C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235719502 778546545 /nfs/dbraw/zinc/54/65/45/778546545.db2.gz VOIIPFBOXVCYAD-GOSISDBHSA-N 2 2 283.419 2.880 20 30 CFEDLP C#Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236467802 778837546 /nfs/dbraw/zinc/83/75/46/778837546.db2.gz JSBIEPBFHBCFEC-QGZVFWFLSA-N 2 2 256.393 2.630 20 30 CFEDLP C#Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236467802 778837552 /nfs/dbraw/zinc/83/75/52/778837552.db2.gz JSBIEPBFHBCFEC-QGZVFWFLSA-N 2 2 256.393 2.630 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236530612 778864948 /nfs/dbraw/zinc/86/49/48/778864948.db2.gz SNBACDHZBXWKLZ-INIZCTEOSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)cc1 ZINC001236530612 778864952 /nfs/dbraw/zinc/86/49/52/778864952.db2.gz SNBACDHZBXWKLZ-INIZCTEOSA-N 2 2 274.408 2.824 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1Cl ZINC001205116744 779258165 /nfs/dbraw/zinc/25/81/65/779258165.db2.gz HPFWFTFVZHJKBB-ZDUSSCGKSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1Cl ZINC001205116744 779258169 /nfs/dbraw/zinc/25/81/69/779258169.db2.gz HPFWFTFVZHJKBB-ZDUSSCGKSA-N 2 2 263.772 2.525 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](SC)C2)CC1 ZINC000921702143 780182635 /nfs/dbraw/zinc/18/26/35/780182635.db2.gz HCVNCRGJYBHWQJ-HUUCEWRRSA-N 2 2 268.470 2.901 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3c2OCC3)CC1 ZINC000921702791 780182649 /nfs/dbraw/zinc/18/26/49/780182649.db2.gz NNJHKUFPKALAST-UHFFFAOYSA-N 2 2 286.419 2.752 20 30 CFEDLP Cc1cc(C#N)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242473396 781529309 /nfs/dbraw/zinc/52/93/09/781529309.db2.gz YKDYCWKMCMZWDJ-UHFFFAOYSA-N 2 2 288.354 2.868 20 30 CFEDLP Cc1ccc(C#N)cc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242541537 781580836 /nfs/dbraw/zinc/58/08/36/781580836.db2.gz KYSCAKZXZRXKFQ-UHFFFAOYSA-N 2 2 288.354 2.868 20 30 CFEDLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1C#N ZINC000594523338 349442166 /nfs/dbraw/zinc/44/21/66/349442166.db2.gz QDGLKVACITWJCN-SJORKVTESA-N 2 2 299.418 2.673 20 30 CFEDLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1C#N ZINC000594523338 349442171 /nfs/dbraw/zinc/44/21/71/349442171.db2.gz QDGLKVACITWJCN-SJORKVTESA-N 2 2 299.418 2.673 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594956553 349528670 /nfs/dbraw/zinc/52/86/70/349528670.db2.gz LHWZJMOVNVCYKM-BBBYJDLNSA-N 2 2 263.429 2.921 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594956553 349528674 /nfs/dbraw/zinc/52/86/74/349528674.db2.gz LHWZJMOVNVCYKM-BBBYJDLNSA-N 2 2 263.429 2.921 20 30 CFEDLP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1C#N ZINC000594959255 349529105 /nfs/dbraw/zinc/52/91/05/349529105.db2.gz AZJHTYRECPIBPK-INIZCTEOSA-N 2 2 271.408 2.829 20 30 CFEDLP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1C#N ZINC000594959255 349529108 /nfs/dbraw/zinc/52/91/08/349529108.db2.gz AZJHTYRECPIBPK-INIZCTEOSA-N 2 2 271.408 2.829 20 30 CFEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000595299896 349597173 /nfs/dbraw/zinc/59/71/73/349597173.db2.gz FUTJYCSBUAIRHO-KRWDZBQOSA-N 2 2 280.375 2.634 20 30 CFEDLP N#Cc1ccc(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000595299896 349597175 /nfs/dbraw/zinc/59/71/75/349597175.db2.gz FUTJYCSBUAIRHO-KRWDZBQOSA-N 2 2 280.375 2.634 20 30 CFEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595373049 349611186 /nfs/dbraw/zinc/61/11/86/349611186.db2.gz KWYKTFMRCFVSNO-QGZVFWFLSA-N 2 2 271.408 2.563 20 30 CFEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595373049 349611190 /nfs/dbraw/zinc/61/11/90/349611190.db2.gz KWYKTFMRCFVSNO-QGZVFWFLSA-N 2 2 271.408 2.563 20 30 CFEDLP C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000595385916 349613094 /nfs/dbraw/zinc/61/30/94/349613094.db2.gz AVQFWURWGGYRIQ-YJBOKZPZSA-N 2 2 294.402 2.880 20 30 CFEDLP C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000595385916 349613098 /nfs/dbraw/zinc/61/30/98/349613098.db2.gz AVQFWURWGGYRIQ-YJBOKZPZSA-N 2 2 294.402 2.880 20 30 CFEDLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000596654930 349969644 /nfs/dbraw/zinc/96/96/44/349969644.db2.gz NWYXAPJMSLZDTJ-LRDDRELGSA-N 2 2 257.381 2.523 20 30 CFEDLP C[N@@H+](CC#Cc1ccc(F)cc1)CC[C@H]1CCCC[NH+]1C ZINC000153833256 347975689 /nfs/dbraw/zinc/97/56/89/347975689.db2.gz AJECAWYQXUYRPC-GOSISDBHSA-N 2 2 288.410 2.983 20 30 CFEDLP C[N@H+](CC#Cc1ccc(F)cc1)CC[C@H]1CCCC[NH+]1C ZINC000153833256 347975692 /nfs/dbraw/zinc/97/56/92/347975692.db2.gz AJECAWYQXUYRPC-GOSISDBHSA-N 2 2 288.410 2.983 20 30 CFEDLP C[NH+](CC#Cc1ccc(F)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000153833256 347975696 /nfs/dbraw/zinc/97/56/96/347975696.db2.gz AJECAWYQXUYRPC-GOSISDBHSA-N 2 2 288.410 2.983 20 30 CFEDLP C[NH+](CC#Cc1ccc(F)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000153833256 347975700 /nfs/dbraw/zinc/97/57/00/347975700.db2.gz AJECAWYQXUYRPC-GOSISDBHSA-N 2 2 288.410 2.983 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250269836 348286909 /nfs/dbraw/zinc/28/69/09/348286909.db2.gz ZWJDLNDVPIQPKB-SJORKVTESA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250269836 348286912 /nfs/dbraw/zinc/28/69/12/348286912.db2.gz ZWJDLNDVPIQPKB-SJORKVTESA-N 2 2 269.392 2.665 20 30 CFEDLP C[C@@H]([NH2+]C[C@H](C)C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743299 348407517 /nfs/dbraw/zinc/40/75/17/348407517.db2.gz WSKHDMDQLOBBAF-BFYDXBDKSA-N 2 2 271.408 2.646 20 30 CFEDLP C[C@@H]([NH2+]C[C@H](C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743299 348407519 /nfs/dbraw/zinc/40/75/19/348407519.db2.gz WSKHDMDQLOBBAF-BFYDXBDKSA-N 2 2 271.408 2.646 20 30 CFEDLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)Cc2ccccc2C1 ZINC000361432478 348507138 /nfs/dbraw/zinc/50/71/38/348507138.db2.gz OTWPJMSEHVFFRY-CRAIPNDOSA-N 2 2 297.446 2.758 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000588206909 348779825 /nfs/dbraw/zinc/77/98/25/348779825.db2.gz YEQDVPLNXXMXMN-GOSISDBHSA-N 2 2 293.370 2.915 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000588206909 348779831 /nfs/dbraw/zinc/77/98/31/348779831.db2.gz YEQDVPLNXXMXMN-GOSISDBHSA-N 2 2 293.370 2.915 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccnc(C#N)c1 ZINC000586788293 348751993 /nfs/dbraw/zinc/75/19/93/348751993.db2.gz WLVUDCITTAHZOI-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccnc(C#N)c1 ZINC000586788293 348751998 /nfs/dbraw/zinc/75/19/98/348751998.db2.gz WLVUDCITTAHZOI-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccnc(C#N)c1)Cc1ccco1 ZINC000586788293 348751999 /nfs/dbraw/zinc/75/19/99/348751999.db2.gz WLVUDCITTAHZOI-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccnc(C#N)c1)Cc1ccco1 ZINC000586788293 348752003 /nfs/dbraw/zinc/75/20/03/348752003.db2.gz WLVUDCITTAHZOI-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591578098 349032072 /nfs/dbraw/zinc/03/20/72/349032072.db2.gz YGSYCYOBNFDZBT-WBVHZDCISA-N 2 2 269.392 2.667 20 30 CFEDLP Cc1ccc(CCC[NH2+]CC2(C#N)CCCC2)c[nH+]1 ZINC000593654970 349305980 /nfs/dbraw/zinc/30/59/80/349305980.db2.gz SVUIEPSNRDCNIO-UHFFFAOYSA-N 2 2 257.381 2.996 20 30 CFEDLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000599338541 350417371 /nfs/dbraw/zinc/41/73/71/350417371.db2.gz CWOMZZYAKBEQOJ-HNNXBMFYSA-N 2 2 280.375 2.590 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600712815 350599946 /nfs/dbraw/zinc/59/99/46/350599946.db2.gz ZJYHRMLAJOHUJD-DLBZAZTESA-N 2 2 281.403 2.810 20 30 CFEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602003256 350828154 /nfs/dbraw/zinc/82/81/54/350828154.db2.gz SLMZFIIHAFTWSL-CQSZACIVSA-N 2 2 289.398 2.907 20 30 CFEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602003256 350828157 /nfs/dbraw/zinc/82/81/57/350828157.db2.gz SLMZFIIHAFTWSL-CQSZACIVSA-N 2 2 289.398 2.907 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000602508301 350909797 /nfs/dbraw/zinc/90/97/97/350909797.db2.gz MAEKQNXTTVZEBJ-CVEARBPZSA-N 2 2 293.455 2.549 20 30 CFEDLP CC(C)C[C@@H](C[NH2+]C1CCC(C#N)CC1)[NH+](C)C ZINC000602511592 350910397 /nfs/dbraw/zinc/91/03/97/350910397.db2.gz OVVPDLICUWGYFB-NRXISQOPSA-N 2 2 251.418 2.635 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000602515258 350911329 /nfs/dbraw/zinc/91/13/29/350911329.db2.gz PCRPBWYHJZKMKY-HZPDHXFCSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000602515258 350911334 /nfs/dbraw/zinc/91/13/34/350911334.db2.gz PCRPBWYHJZKMKY-HZPDHXFCSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCC(C)CC1 ZINC000602524668 350914003 /nfs/dbraw/zinc/91/40/03/350914003.db2.gz OPJGRJLWTQWBEN-FHERZECASA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]1CCC(C)CC1 ZINC000602527141 350915095 /nfs/dbraw/zinc/91/50/95/350915095.db2.gz ZSQFJNJTADLOHC-LSDHHAIUSA-N 2 2 251.418 2.636 20 30 CFEDLP N#CC1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000602589460 350937269 /nfs/dbraw/zinc/93/72/69/350937269.db2.gz SFGIUYYHSRVNKY-UHFFFAOYSA-N 2 2 258.369 2.556 20 30 CFEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602643114 350958834 /nfs/dbraw/zinc/95/88/34/350958834.db2.gz IJMBKLWVBVZODO-NRXISQOPSA-N 2 2 263.429 2.779 20 30 CFEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602643114 350958836 /nfs/dbraw/zinc/95/88/36/350958836.db2.gz IJMBKLWVBVZODO-NRXISQOPSA-N 2 2 263.429 2.779 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1(CC#N)CC1 ZINC000602829994 351038984 /nfs/dbraw/zinc/03/89/84/351038984.db2.gz SPNVDCFYJPQKMX-UHFFFAOYSA-N 2 2 275.396 2.727 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1(CC#N)CC1 ZINC000602829994 351038988 /nfs/dbraw/zinc/03/89/88/351038988.db2.gz SPNVDCFYJPQKMX-UHFFFAOYSA-N 2 2 275.396 2.727 20 30 CFEDLP C[NH+](CCC[N@H+](C)CC1(CC#N)CC1)Cc1ccco1 ZINC000602829994 351038994 /nfs/dbraw/zinc/03/89/94/351038994.db2.gz SPNVDCFYJPQKMX-UHFFFAOYSA-N 2 2 275.396 2.727 20 30 CFEDLP C[NH+](CCC[N@@H+](C)CC1(CC#N)CC1)Cc1ccco1 ZINC000602829994 351038997 /nfs/dbraw/zinc/03/89/97/351038997.db2.gz SPNVDCFYJPQKMX-UHFFFAOYSA-N 2 2 275.396 2.727 20 30 CFEDLP C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602746624 351013120 /nfs/dbraw/zinc/01/31/20/351013120.db2.gz HGWHUPASCZWKMT-GOSISDBHSA-N 2 2 295.430 2.768 20 30 CFEDLP C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602746624 351013122 /nfs/dbraw/zinc/01/31/22/351013122.db2.gz HGWHUPASCZWKMT-GOSISDBHSA-N 2 2 295.430 2.768 20 30 CFEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390981 351680368 /nfs/dbraw/zinc/68/03/68/351680368.db2.gz YLKIAQOEEDXUAQ-GUYCJALGSA-N 2 2 280.375 2.810 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1F ZINC000611371592 351676274 /nfs/dbraw/zinc/67/62/74/351676274.db2.gz BVZZXCAQBKUENP-HNNXBMFYSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1F ZINC000611371592 351676281 /nfs/dbraw/zinc/67/62/81/351676281.db2.gz BVZZXCAQBKUENP-HNNXBMFYSA-N 2 2 284.338 2.731 20 30 CFEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000612099118 351774393 /nfs/dbraw/zinc/77/43/93/351774393.db2.gz NNMMXTKQWMFZLI-QGZVFWFLSA-N 2 2 271.408 2.715 20 30 CFEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000612099118 351774395 /nfs/dbraw/zinc/77/43/95/351774395.db2.gz NNMMXTKQWMFZLI-QGZVFWFLSA-N 2 2 271.408 2.715 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406071 351816678 /nfs/dbraw/zinc/81/66/78/351816678.db2.gz HSCSGQUDXVNAMT-KRWDZBQOSA-N 2 2 295.390 2.701 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612406071 351816679 /nfs/dbraw/zinc/81/66/79/351816679.db2.gz HSCSGQUDXVNAMT-KRWDZBQOSA-N 2 2 295.390 2.701 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000123841521 187111156 /nfs/dbraw/zinc/11/11/56/187111156.db2.gz OAGDRJRAXRBSQO-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000123841521 187111157 /nfs/dbraw/zinc/11/11/57/187111157.db2.gz OAGDRJRAXRBSQO-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)CC[NH+]1C ZINC000123841521 187111158 /nfs/dbraw/zinc/11/11/58/187111158.db2.gz OAGDRJRAXRBSQO-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)CC[NH+]1C ZINC000123841521 187111159 /nfs/dbraw/zinc/11/11/59/187111159.db2.gz OAGDRJRAXRBSQO-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C#CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156981257 188290476 /nfs/dbraw/zinc/29/04/76/188290476.db2.gz RHPZRZDOAVVESL-NVXWUHKLSA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156981257 188290477 /nfs/dbraw/zinc/29/04/77/188290477.db2.gz RHPZRZDOAVVESL-NVXWUHKLSA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156981257 188290479 /nfs/dbraw/zinc/29/04/79/188290479.db2.gz RHPZRZDOAVVESL-NVXWUHKLSA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156981257 188290480 /nfs/dbraw/zinc/29/04/80/188290480.db2.gz RHPZRZDOAVVESL-NVXWUHKLSA-N 2 2 256.393 2.605 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000176961805 189017482 /nfs/dbraw/zinc/01/74/82/189017482.db2.gz XRWIEKMALMPBJI-UHFFFAOYSA-N 2 2 286.404 2.997 20 30 CFEDLP C#CCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000179835396 189223019 /nfs/dbraw/zinc/22/30/19/189223019.db2.gz FKGLAROJVOTOBS-UHFFFAOYSA-N 2 2 286.419 2.661 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(CC(C)C)c2)CC1 ZINC000181790810 189306533 /nfs/dbraw/zinc/30/65/33/189306533.db2.gz QFCGTYATJUMGRR-UHFFFAOYSA-N 2 2 290.455 2.669 20 30 CFEDLP CCC#C[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739609 541062655 /nfs/dbraw/zinc/06/26/55/541062655.db2.gz VEMZNLNYKGBSDG-OAHLLOKOSA-N 2 2 262.397 2.835 20 30 CFEDLP CCC#C[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739609 541062657 /nfs/dbraw/zinc/06/26/57/541062657.db2.gz VEMZNLNYKGBSDG-OAHLLOKOSA-N 2 2 262.397 2.835 20 30 CFEDLP CCC#C[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000671739609 541062659 /nfs/dbraw/zinc/06/26/59/541062659.db2.gz VEMZNLNYKGBSDG-OAHLLOKOSA-N 2 2 262.397 2.835 20 30 CFEDLP CCC#C[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000671739609 541062662 /nfs/dbraw/zinc/06/26/62/541062662.db2.gz VEMZNLNYKGBSDG-OAHLLOKOSA-N 2 2 262.397 2.835 20 30 CFEDLP C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101648 189346776 /nfs/dbraw/zinc/34/67/76/189346776.db2.gz UNUINPFKJTUYSV-KGLIPLIRSA-N 2 2 287.407 2.894 20 30 CFEDLP C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101648 189346777 /nfs/dbraw/zinc/34/67/77/189346777.db2.gz UNUINPFKJTUYSV-KGLIPLIRSA-N 2 2 287.407 2.894 20 30 CFEDLP CC#CCC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000360969292 261138925 /nfs/dbraw/zinc/13/89/25/261138925.db2.gz QKNNOCUNUMWZII-WBVHZDCISA-N 2 2 256.393 2.825 20 30 CFEDLP CC#CCC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000360969292 261138927 /nfs/dbraw/zinc/13/89/27/261138927.db2.gz QKNNOCUNUMWZII-WBVHZDCISA-N 2 2 256.393 2.825 20 30 CFEDLP CC[NH+](CC)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000020052150 372223452 /nfs/dbraw/zinc/22/34/52/372223452.db2.gz XULXVLDASJAVIQ-UHFFFAOYSA-N 2 2 263.360 2.519 20 30 CFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC(C)(C)C)c1ccsc1 ZINC000264065634 383692976 /nfs/dbraw/zinc/69/29/76/383692976.db2.gz BBIOZTOKYDHJNS-ZDUSSCGKSA-N 2 2 296.484 2.834 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000093639619 375278472 /nfs/dbraw/zinc/27/84/72/375278472.db2.gz PNHLIFKTKBYQGT-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000093639619 375278474 /nfs/dbraw/zinc/27/84/74/375278474.db2.gz PNHLIFKTKBYQGT-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000093639619 375278480 /nfs/dbraw/zinc/27/84/80/375278480.db2.gz PNHLIFKTKBYQGT-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000093639619 375278481 /nfs/dbraw/zinc/27/84/81/375278481.db2.gz PNHLIFKTKBYQGT-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093693772 375299431 /nfs/dbraw/zinc/29/94/31/375299431.db2.gz HARFAWJBHJYREB-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000093693772 375299436 /nfs/dbraw/zinc/29/94/36/375299436.db2.gz HARFAWJBHJYREB-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@H+](CCC#N)Cc1ccccn1 ZINC000125544410 377167011 /nfs/dbraw/zinc/16/70/11/377167011.db2.gz VJKIETWMRGQFQE-UHFFFAOYSA-N 2 2 297.406 2.783 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@@H+](CCC#N)Cc1ccccn1 ZINC000125544410 377167016 /nfs/dbraw/zinc/16/70/16/377167016.db2.gz VJKIETWMRGQFQE-UHFFFAOYSA-N 2 2 297.406 2.783 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)s1)C2 ZINC000134852153 378054882 /nfs/dbraw/zinc/05/48/82/378054882.db2.gz NWQZZBBPRLFAHI-RYUDHWBXSA-N 2 2 286.404 2.790 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(C#N)o1 ZINC000135134009 378088070 /nfs/dbraw/zinc/08/80/70/378088070.db2.gz UTTOXIAWVSZZNO-UHFFFAOYSA-N 2 2 280.331 2.599 20 30 CFEDLP C=C(Br)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136090938 378179399 /nfs/dbraw/zinc/17/93/99/378179399.db2.gz HFTRLDICYSIYCQ-JQWIXIFHSA-N 2 2 284.201 2.675 20 30 CFEDLP C=C(Br)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136090938 378179402 /nfs/dbraw/zinc/17/94/02/378179402.db2.gz HFTRLDICYSIYCQ-JQWIXIFHSA-N 2 2 284.201 2.675 20 30 CFEDLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C#N)o1 ZINC000289477590 197365531 /nfs/dbraw/zinc/36/55/31/197365531.db2.gz QDCSBWDVNKZTIQ-UHFFFAOYSA-N 2 2 263.385 2.705 20 30 CFEDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C#N)o1 ZINC000289477590 197365533 /nfs/dbraw/zinc/36/55/33/197365533.db2.gz QDCSBWDVNKZTIQ-UHFFFAOYSA-N 2 2 263.385 2.705 20 30 CFEDLP C[N@@H+](CC#Cc1ccc(F)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000153833383 378514476 /nfs/dbraw/zinc/51/44/76/378514476.db2.gz AJECAWYQXUYRPC-SFHVURJKSA-N 2 2 288.410 2.983 20 30 CFEDLP C[N@H+](CC#Cc1ccc(F)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000153833383 378514485 /nfs/dbraw/zinc/51/44/85/378514485.db2.gz AJECAWYQXUYRPC-SFHVURJKSA-N 2 2 288.410 2.983 20 30 CFEDLP C[NH+](CC#Cc1ccc(F)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000153833383 378514490 /nfs/dbraw/zinc/51/44/90/378514490.db2.gz AJECAWYQXUYRPC-SFHVURJKSA-N 2 2 288.410 2.983 20 30 CFEDLP C[NH+](CC#Cc1ccc(F)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000153833383 378514499 /nfs/dbraw/zinc/51/44/99/378514499.db2.gz AJECAWYQXUYRPC-SFHVURJKSA-N 2 2 288.410 2.983 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000157309789 378652551 /nfs/dbraw/zinc/65/25/51/378652551.db2.gz VBEJWOJWGCISQY-SFHVURJKSA-N 2 2 296.345 2.726 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000157309789 378652552 /nfs/dbraw/zinc/65/25/52/378652552.db2.gz VBEJWOJWGCISQY-SFHVURJKSA-N 2 2 296.345 2.726 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1F ZINC000335445907 379310017 /nfs/dbraw/zinc/31/00/17/379310017.db2.gz MNLRYIRFHVKSBR-AWEZNQCLSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1F ZINC000335445907 379310020 /nfs/dbraw/zinc/31/00/20/379310020.db2.gz MNLRYIRFHVKSBR-AWEZNQCLSA-N 2 2 284.338 2.800 20 30 CFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000174377171 379873051 /nfs/dbraw/zinc/87/30/51/379873051.db2.gz UHRMMTBNNCZHMB-CQSZACIVSA-N 2 2 251.418 2.780 20 30 CFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000174377171 379873055 /nfs/dbraw/zinc/87/30/55/379873055.db2.gz UHRMMTBNNCZHMB-CQSZACIVSA-N 2 2 251.418 2.780 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336222241 380291419 /nfs/dbraw/zinc/29/14/19/380291419.db2.gz OOKSFUMUDRYLAU-UPNFEZNFSA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336222241 380291424 /nfs/dbraw/zinc/29/14/24/380291424.db2.gz OOKSFUMUDRYLAU-UPNFEZNFSA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)s1 ZINC000367991945 380877755 /nfs/dbraw/zinc/87/77/55/380877755.db2.gz FKBWEPQECWXDJB-VHSXEESVSA-N 2 2 272.377 2.551 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)s1 ZINC000367991945 380877765 /nfs/dbraw/zinc/87/77/65/380877765.db2.gz FKBWEPQECWXDJB-VHSXEESVSA-N 2 2 272.377 2.551 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OCC#N)cc1 ZINC000368101219 380924289 /nfs/dbraw/zinc/92/42/89/380924289.db2.gz KAEKSQLTRNHHQS-GXTWGEPZSA-N 2 2 296.374 2.520 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OCC#N)cc1 ZINC000368101219 380924294 /nfs/dbraw/zinc/92/42/94/380924294.db2.gz KAEKSQLTRNHHQS-GXTWGEPZSA-N 2 2 296.374 2.520 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347122334 380954946 /nfs/dbraw/zinc/95/49/46/380954946.db2.gz MYPHLQYRLFTSMB-KRWDZBQOSA-N 2 2 279.343 2.607 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347122334 380954956 /nfs/dbraw/zinc/95/49/56/380954956.db2.gz MYPHLQYRLFTSMB-KRWDZBQOSA-N 2 2 279.343 2.607 20 30 CFEDLP C[C@H](CCC#N)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000411393784 381025899 /nfs/dbraw/zinc/02/58/99/381025899.db2.gz ASQJAHZBMHICKM-YCPHGPKFSA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000411393784 381025905 /nfs/dbraw/zinc/02/59/05/381025905.db2.gz ASQJAHZBMHICKM-YCPHGPKFSA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000411393784 381025914 /nfs/dbraw/zinc/02/59/14/381025914.db2.gz ASQJAHZBMHICKM-YCPHGPKFSA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000411393784 381025923 /nfs/dbraw/zinc/02/59/23/381025923.db2.gz ASQJAHZBMHICKM-YCPHGPKFSA-N 2 2 261.413 2.627 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000354032578 381033556 /nfs/dbraw/zinc/03/35/56/381033556.db2.gz CABTUHAMWAQRRJ-ZDUSSCGKSA-N 2 2 285.372 2.668 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)s1 ZINC000354032578 381033562 /nfs/dbraw/zinc/03/35/62/381033562.db2.gz CABTUHAMWAQRRJ-ZDUSSCGKSA-N 2 2 285.372 2.668 20 30 CFEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000354100441 381078920 /nfs/dbraw/zinc/07/89/20/381078920.db2.gz MNWGZSKEVRKGQD-CQSZACIVSA-N 2 2 289.448 2.783 20 30 CFEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000354100441 381078929 /nfs/dbraw/zinc/07/89/29/381078929.db2.gz MNWGZSKEVRKGQD-CQSZACIVSA-N 2 2 289.448 2.783 20 30 CFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000354100441 381078939 /nfs/dbraw/zinc/07/89/39/381078939.db2.gz MNWGZSKEVRKGQD-CQSZACIVSA-N 2 2 289.448 2.783 20 30 CFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000354100441 381078951 /nfs/dbraw/zinc/07/89/51/381078951.db2.gz MNWGZSKEVRKGQD-CQSZACIVSA-N 2 2 289.448 2.783 20 30 CFEDLP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1C#N ZINC000369535426 381282149 /nfs/dbraw/zinc/28/21/49/381282149.db2.gz ANHMWJWEVRNTIH-UHFFFAOYSA-N 2 2 299.418 2.673 20 30 CFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000183818964 381325407 /nfs/dbraw/zinc/32/54/07/381325407.db2.gz IDHMUXQQHNHAIH-CQSZACIVSA-N 2 2 289.398 2.582 20 30 CFEDLP C=CCOCCC[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000348113828 381464847 /nfs/dbraw/zinc/46/48/47/381464847.db2.gz GVZSWGNNMRYTBV-HNNXBMFYSA-N 2 2 289.423 2.601 20 30 CFEDLP C=CCOCCC[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000348113828 381464852 /nfs/dbraw/zinc/46/48/52/381464852.db2.gz GVZSWGNNMRYTBV-HNNXBMFYSA-N 2 2 289.423 2.601 20 30 CFEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C#N)cc1)CCC2 ZINC000372591945 381839108 /nfs/dbraw/zinc/83/91/08/381839108.db2.gz XYUQWTZWGRCGSO-INIZCTEOSA-N 2 2 280.375 2.730 20 30 CFEDLP COc1cc(C#N)ccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372449984 381818095 /nfs/dbraw/zinc/81/80/95/381818095.db2.gz OIZXEOLEBDXTTQ-UHFFFAOYSA-N 2 2 296.374 2.670 20 30 CFEDLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000349385668 381922880 /nfs/dbraw/zinc/92/28/80/381922880.db2.gz QXVZIFCXHXZNGY-UHFFFAOYSA-N 2 2 265.426 2.783 20 30 CFEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000349385668 381922887 /nfs/dbraw/zinc/92/28/87/381922887.db2.gz QXVZIFCXHXZNGY-UHFFFAOYSA-N 2 2 265.426 2.783 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nc3ccccn32)CC1 ZINC000344219959 382206418 /nfs/dbraw/zinc/20/64/18/382206418.db2.gz NOFOSRDQJCDBMH-UHFFFAOYSA-N 2 2 298.434 2.773 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000293748476 382263536 /nfs/dbraw/zinc/26/35/36/382263536.db2.gz XUTSHBLTGGKUOI-CQSZACIVSA-N 2 2 274.408 2.563 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)C(C)C ZINC000346448121 382366254 /nfs/dbraw/zinc/36/62/54/382366254.db2.gz BESBEHPDRDHMGB-GVDBMIGSSA-N 2 2 280.456 2.842 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365549509 382411053 /nfs/dbraw/zinc/41/10/53/382411053.db2.gz RPJBDRYXDYQVQV-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365549509 382411061 /nfs/dbraw/zinc/41/10/61/382411061.db2.gz RPJBDRYXDYQVQV-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365549509 382411069 /nfs/dbraw/zinc/41/10/69/382411069.db2.gz RPJBDRYXDYQVQV-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365549509 382411076 /nfs/dbraw/zinc/41/10/76/382411076.db2.gz RPJBDRYXDYQVQV-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP C#CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000378458726 382466571 /nfs/dbraw/zinc/46/65/71/382466571.db2.gz YAOLBQATFCYSOW-OAHLLOKOSA-N 2 2 281.403 2.524 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367323033 382563877 /nfs/dbraw/zinc/56/38/77/382563877.db2.gz YKSGGYVYWKNFAQ-KRWDZBQOSA-N 2 2 279.387 2.781 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000367323033 382563881 /nfs/dbraw/zinc/56/38/81/382563881.db2.gz YKSGGYVYWKNFAQ-KRWDZBQOSA-N 2 2 279.387 2.781 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353254540 382531295 /nfs/dbraw/zinc/53/12/95/382531295.db2.gz MABSXPOGUFSCOK-NXOUGTEYSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353254540 382531298 /nfs/dbraw/zinc/53/12/98/382531298.db2.gz MABSXPOGUFSCOK-NXOUGTEYSA-N 2 2 281.403 2.618 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000320206426 382535859 /nfs/dbraw/zinc/53/58/59/382535859.db2.gz DNLCAPFZERRQMS-GOEBONIOSA-N 2 2 285.391 2.850 20 30 CFEDLP C[C@]1(C[NH2+]CCC#N)CCC[N@@H+]1Cc1ccccc1 ZINC000397995420 382634939 /nfs/dbraw/zinc/63/49/39/382634939.db2.gz RKQFGOWNTQMGON-MRXNPFEDSA-N 2 2 257.381 2.544 20 30 CFEDLP C[C@]1(C[NH2+]CCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000397995420 382634940 /nfs/dbraw/zinc/63/49/40/382634940.db2.gz RKQFGOWNTQMGON-MRXNPFEDSA-N 2 2 257.381 2.544 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000442720902 382949262 /nfs/dbraw/zinc/94/92/62/382949262.db2.gz SFMHEKJJLSTEOY-LSDHHAIUSA-N 2 2 293.480 2.630 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000442785308 382956836 /nfs/dbraw/zinc/95/68/36/382956836.db2.gz VGDZXEHZUUJSBX-UKRRQHHQSA-N 2 2 266.348 2.654 20 30 CFEDLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000442796442 382958170 /nfs/dbraw/zinc/95/81/70/382958170.db2.gz SVWLFAQPADRIHB-UAGQMJEPSA-N 2 2 271.408 2.880 20 30 CFEDLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000578840540 382958715 /nfs/dbraw/zinc/95/87/15/382958715.db2.gz HWSAYGPWWFUISO-YOEHRIQHSA-N 2 2 271.408 2.941 20 30 CFEDLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000578840540 382958718 /nfs/dbraw/zinc/95/87/18/382958718.db2.gz HWSAYGPWWFUISO-YOEHRIQHSA-N 2 2 271.408 2.941 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccn(C)n2)CC1 ZINC000544570218 382974468 /nfs/dbraw/zinc/97/44/68/382974468.db2.gz NQNVNCSMGOBGQL-HNNXBMFYSA-N 2 2 276.428 2.501 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443959089 382970874 /nfs/dbraw/zinc/97/08/74/382970874.db2.gz LXGKMRUIZJCWNN-UHFFFAOYSA-N 2 2 269.392 2.607 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1 ZINC000423391480 383079368 /nfs/dbraw/zinc/07/93/68/383079368.db2.gz PMSHMBWJYJZGQH-CJNGLKHVSA-N 2 2 271.408 2.987 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247452392 383173704 /nfs/dbraw/zinc/17/37/04/383173704.db2.gz JHONGLBOUQTFHH-RHSMWYFYSA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000247452392 383173710 /nfs/dbraw/zinc/17/37/10/383173710.db2.gz JHONGLBOUQTFHH-RHSMWYFYSA-N 2 2 280.375 2.838 20 30 CFEDLP Cc1cc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425209119 383340798 /nfs/dbraw/zinc/34/07/98/383340798.db2.gz QNIQFRAFNTXBKH-KRWDZBQOSA-N 2 2 298.365 2.538 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309937827 262057792 /nfs/dbraw/zinc/05/77/92/262057792.db2.gz DWANAZMTLWQPHP-UXLLHSPISA-N 2 2 256.393 2.651 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434786300 383771472 /nfs/dbraw/zinc/77/14/72/383771472.db2.gz QZWWKCXWDDHSCX-HNNXBMFYSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434786300 383771473 /nfs/dbraw/zinc/77/14/73/383771473.db2.gz QZWWKCXWDDHSCX-HNNXBMFYSA-N 2 2 263.429 2.923 20 30 CFEDLP CCC1([NH+](C)C)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000640016151 383672696 /nfs/dbraw/zinc/67/26/96/383672696.db2.gz URSNRHUFVSGQEX-UHFFFAOYSA-N 2 2 270.420 2.844 20 30 CFEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574951813 384167622 /nfs/dbraw/zinc/16/76/22/384167622.db2.gz XBISCDUTTROBSI-ROUUACIJSA-N 2 2 296.418 2.542 20 30 CFEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574951813 384167629 /nfs/dbraw/zinc/16/76/29/384167629.db2.gz XBISCDUTTROBSI-ROUUACIJSA-N 2 2 296.418 2.542 20 30 CFEDLP C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289321953 197297371 /nfs/dbraw/zinc/29/73/71/197297371.db2.gz CJKXCOQDIIUPIE-SFHVURJKSA-N 2 2 288.435 2.520 20 30 CFEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289321953 197297366 /nfs/dbraw/zinc/29/73/66/197297366.db2.gz CJKXCOQDIIUPIE-SFHVURJKSA-N 2 2 288.435 2.520 20 30 CFEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289321953 197297367 /nfs/dbraw/zinc/29/73/67/197297367.db2.gz CJKXCOQDIIUPIE-SFHVURJKSA-N 2 2 288.435 2.520 20 30 CFEDLP C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289321953 197297369 /nfs/dbraw/zinc/29/73/69/197297369.db2.gz CJKXCOQDIIUPIE-SFHVURJKSA-N 2 2 288.435 2.520 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3OC)CC1 ZINC000268860057 384679150 /nfs/dbraw/zinc/67/91/50/384679150.db2.gz HQBAYGNAKUGEKR-QGZVFWFLSA-N 2 2 286.419 2.923 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000638523542 384720933 /nfs/dbraw/zinc/72/09/33/384720933.db2.gz BXCMFNIVZZEQFI-UHFFFAOYSA-N 2 2 285.391 2.958 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000269439135 384757319 /nfs/dbraw/zinc/75/73/19/384757319.db2.gz SBEYRUDZLNRCMW-UHFFFAOYSA-N 2 2 287.382 2.804 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000289266809 197279644 /nfs/dbraw/zinc/27/96/44/197279644.db2.gz NBAWSIHPTYUGHA-YJBOKZPZSA-N 2 2 279.387 2.948 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000289266809 197279645 /nfs/dbraw/zinc/27/96/45/197279645.db2.gz NBAWSIHPTYUGHA-YJBOKZPZSA-N 2 2 279.387 2.948 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000271124977 385342773 /nfs/dbraw/zinc/34/27/73/385342773.db2.gz MGFKXWKDQJHOHA-NSHDSACASA-N 2 2 272.377 2.722 20 30 CFEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(C#N)c1 ZINC000281426604 195235865 /nfs/dbraw/zinc/23/58/65/195235865.db2.gz SBAYGDCHHNQNOF-UHFFFAOYSA-N 2 2 275.371 2.615 20 30 CFEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(F)c(C#N)c1 ZINC000281426604 195235867 /nfs/dbraw/zinc/23/58/67/195235867.db2.gz SBAYGDCHHNQNOF-UHFFFAOYSA-N 2 2 275.371 2.615 20 30 CFEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(C#N)cc1F ZINC000425938242 533426776 /nfs/dbraw/zinc/42/67/76/533426776.db2.gz VZSJVMLGZREIQE-NWDGAFQWSA-N 2 2 263.360 2.546 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683007386 542627303 /nfs/dbraw/zinc/62/73/03/542627303.db2.gz VOZFCUZQRSNTLS-QGZVFWFLSA-N 2 2 265.360 2.572 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683007386 542627309 /nfs/dbraw/zinc/62/73/09/542627309.db2.gz VOZFCUZQRSNTLS-QGZVFWFLSA-N 2 2 265.360 2.572 20 30 CFEDLP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301383156 393470609 /nfs/dbraw/zinc/47/06/09/393470609.db2.gz BCGSPGYBQFIELD-UHFFFAOYSA-N 2 2 274.412 2.971 20 30 CFEDLP CC(C)(C#N)CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374214624 393489100 /nfs/dbraw/zinc/48/91/00/393489100.db2.gz YSNGNTLBIGHRHS-UHFFFAOYSA-N 2 2 260.385 2.919 20 30 CFEDLP CCCCCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374318187 393492879 /nfs/dbraw/zinc/49/28/79/393492879.db2.gz PQSZCVUYBOMIST-ZWKOTPCHSA-N 2 2 295.515 2.915 20 30 CFEDLP CCCCCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374318187 393492886 /nfs/dbraw/zinc/49/28/86/393492886.db2.gz PQSZCVUYBOMIST-ZWKOTPCHSA-N 2 2 295.515 2.915 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000349295228 393966501 /nfs/dbraw/zinc/96/65/01/393966501.db2.gz AMNKNDYBRFNQBO-UBDQQSCGSA-N 2 2 283.419 2.789 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000349295228 393966505 /nfs/dbraw/zinc/96/65/05/393966505.db2.gz AMNKNDYBRFNQBO-UBDQQSCGSA-N 2 2 283.419 2.789 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000349309379 393967433 /nfs/dbraw/zinc/96/74/33/393967433.db2.gz DIXSMWOHNCCUOG-BGTYHANMSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000349309379 393967434 /nfs/dbraw/zinc/96/74/34/393967434.db2.gz DIXSMWOHNCCUOG-BGTYHANMSA-N 2 2 283.419 2.931 20 30 CFEDLP C=CCOc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349387022 393969098 /nfs/dbraw/zinc/96/90/98/393969098.db2.gz UJSBARPPVXJWSX-UHFFFAOYSA-N 2 2 285.391 2.970 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349387022 393969100 /nfs/dbraw/zinc/96/91/00/393969100.db2.gz UJSBARPPVXJWSX-UHFFFAOYSA-N 2 2 285.391 2.970 20 30 CFEDLP N#CC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000361042928 394164056 /nfs/dbraw/zinc/16/40/56/394164056.db2.gz CADPWWQCJJDQJC-UHFFFAOYSA-N 2 2 272.396 2.679 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449518687 394280321 /nfs/dbraw/zinc/28/03/21/394280321.db2.gz KHYNRIJWDCKZLY-SPUZQDLCSA-N 2 2 286.419 2.755 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449518687 394280322 /nfs/dbraw/zinc/28/03/22/394280322.db2.gz KHYNRIJWDCKZLY-SPUZQDLCSA-N 2 2 286.419 2.755 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C#N)c(F)c1 ZINC000530216631 394485372 /nfs/dbraw/zinc/48/53/72/394485372.db2.gz CMIJZZAWPYDGSG-IAQYHMDHSA-N 2 2 273.355 2.633 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000373812076 157032444 /nfs/dbraw/zinc/03/24/44/157032444.db2.gz KEAYAOAUWYYWBQ-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000373812076 157032447 /nfs/dbraw/zinc/03/24/47/157032447.db2.gz KEAYAOAUWYYWBQ-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000373812076 157032450 /nfs/dbraw/zinc/03/24/50/157032450.db2.gz KEAYAOAUWYYWBQ-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000373812076 157032452 /nfs/dbraw/zinc/03/24/52/157032452.db2.gz KEAYAOAUWYYWBQ-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000376021299 157316446 /nfs/dbraw/zinc/31/64/46/157316446.db2.gz KSWSRBQZUSITOC-UHFFFAOYSA-N 2 2 269.392 2.665 20 30 CFEDLP C=CCCC1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000665236979 414197855 /nfs/dbraw/zinc/19/78/55/414197855.db2.gz XMXSOYNDRGGILR-IRXDYDNUSA-N 2 2 292.467 2.870 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658209926 414283150 /nfs/dbraw/zinc/28/31/50/414283150.db2.gz KUAYXIQLJXUHLD-SFHVURJKSA-N 2 2 288.435 2.833 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658209926 414283156 /nfs/dbraw/zinc/28/31/56/414283156.db2.gz KUAYXIQLJXUHLD-SFHVURJKSA-N 2 2 288.435 2.833 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000658209925 414284238 /nfs/dbraw/zinc/28/42/38/414284238.db2.gz KUAYXIQLJXUHLD-GOSISDBHSA-N 2 2 288.435 2.833 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000658209925 414284246 /nfs/dbraw/zinc/28/42/46/414284246.db2.gz KUAYXIQLJXUHLD-GOSISDBHSA-N 2 2 288.435 2.833 20 30 CFEDLP C[N@H+](CCC(C)(C)C#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000363461478 260263020 /nfs/dbraw/zinc/26/30/20/260263020.db2.gz RECLRHRQDTXYGP-UHFFFAOYSA-N 2 2 286.423 2.922 20 30 CFEDLP C[N@@H+](CCC(C)(C)C#N)C1CCN(c2cccc[nH+]2)CC1 ZINC000363461478 260263022 /nfs/dbraw/zinc/26/30/22/260263022.db2.gz RECLRHRQDTXYGP-UHFFFAOYSA-N 2 2 286.423 2.922 20 30 CFEDLP CC[N@H+](CC[NH2+]C1CC(C#N)(c2ccccc2)C1)C1CC1 ZINC000126600620 260355605 /nfs/dbraw/zinc/35/56/05/260355605.db2.gz FNTGZDAHTPGJGZ-UHFFFAOYSA-N 2 2 283.419 2.684 20 30 CFEDLP CC[N@@H+](CC[NH2+]C1CC(C#N)(c2ccccc2)C1)C1CC1 ZINC000126600620 260355607 /nfs/dbraw/zinc/35/56/07/260355607.db2.gz FNTGZDAHTPGJGZ-UHFFFAOYSA-N 2 2 283.419 2.684 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309937827 262057791 /nfs/dbraw/zinc/05/77/91/262057791.db2.gz DWANAZMTLWQPHP-UXLLHSPISA-N 2 2 256.393 2.651 20 30 CFEDLP N#C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000185784303 262070440 /nfs/dbraw/zinc/07/04/40/262070440.db2.gz DLNCLGBWLCZRFZ-RDJZCZTQSA-N 2 2 298.434 2.718 20 30 CFEDLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185792155 262071782 /nfs/dbraw/zinc/07/17/82/262071782.db2.gz DPDOYQUWPUCASG-OKZBNKHCSA-N 2 2 285.435 2.831 20 30 CFEDLP C[N@H+](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000185794449 262071792 /nfs/dbraw/zinc/07/17/92/262071792.db2.gz KZNQWEXOFDLZRS-DLBZAZTESA-N 2 2 271.408 2.790 20 30 CFEDLP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000185794449 262071794 /nfs/dbraw/zinc/07/17/94/262071794.db2.gz KZNQWEXOFDLZRS-DLBZAZTESA-N 2 2 271.408 2.790 20 30 CFEDLP N#CC1CCC(C[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000281625179 263070844 /nfs/dbraw/zinc/07/08/44/263070844.db2.gz HTQORAFFQKPRFA-UHFFFAOYSA-N 2 2 268.364 2.754 20 30 CFEDLP CC(C)SCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000282335702 263075998 /nfs/dbraw/zinc/07/59/98/263075998.db2.gz VOIROBCCYZBLLO-UHFFFAOYSA-N 2 2 295.452 2.527 20 30 CFEDLP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000289437900 263110220 /nfs/dbraw/zinc/11/02/20/263110220.db2.gz SUQUTJSBINCGRV-HZPDHXFCSA-N 2 2 271.408 2.961 20 30 CFEDLP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000289437900 263110221 /nfs/dbraw/zinc/11/02/21/263110221.db2.gz SUQUTJSBINCGRV-HZPDHXFCSA-N 2 2 271.408 2.961 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000298554683 263221716 /nfs/dbraw/zinc/22/17/16/263221716.db2.gz ONSOXCCUXHWGAM-CQSZACIVSA-N 2 2 273.380 2.926 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000341326143 263331468 /nfs/dbraw/zinc/33/14/68/263331468.db2.gz WDTHVZVZHCITTJ-RYRKJORJSA-N 2 2 288.435 2.596 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000341326143 263331470 /nfs/dbraw/zinc/33/14/70/263331470.db2.gz WDTHVZVZHCITTJ-RYRKJORJSA-N 2 2 288.435 2.596 20 30 CFEDLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC000519757190 267333336 /nfs/dbraw/zinc/33/33/36/267333336.db2.gz HFNZFXLDSYEAHA-UHFFFAOYSA-N 2 2 275.421 2.680 20 30 CFEDLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(C#N)s1)CC2 ZINC000519757190 267333340 /nfs/dbraw/zinc/33/33/40/267333340.db2.gz HFNZFXLDSYEAHA-UHFFFAOYSA-N 2 2 275.421 2.680 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376717862 268011131 /nfs/dbraw/zinc/01/11/31/268011131.db2.gz TXEWKAJOSHHBNK-UHFFFAOYSA-N 2 2 260.385 2.639 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000377265043 268061044 /nfs/dbraw/zinc/06/10/44/268061044.db2.gz CKPJSWIMTIWPRH-KRWDZBQOSA-N 2 2 279.387 2.651 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000377265043 268061045 /nfs/dbraw/zinc/06/10/45/268061045.db2.gz CKPJSWIMTIWPRH-KRWDZBQOSA-N 2 2 279.387 2.651 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019959982 276174469 /nfs/dbraw/zinc/17/44/69/276174469.db2.gz NQBSGOPWRUCPJU-XJKSGUPXSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019959982 276174470 /nfs/dbraw/zinc/17/44/70/276174470.db2.gz NQBSGOPWRUCPJU-XJKSGUPXSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000562603363 290059003 /nfs/dbraw/zinc/05/90/03/290059003.db2.gz HGMPDQQGSOECDB-CVEARBPZSA-N 2 2 280.375 2.810 20 30 CFEDLP Cc1[nH+]cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1C ZINC000565242721 290288161 /nfs/dbraw/zinc/28/81/61/290288161.db2.gz RFCQUNMVSQXWEQ-KRWDZBQOSA-N 2 2 280.375 2.767 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(CC)c2)CC1 ZINC000566335699 327319912 /nfs/dbraw/zinc/31/99/12/327319912.db2.gz BWPLJZWEHBAUAC-UHFFFAOYSA-N 2 2 258.409 2.989 20 30 CFEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000177185069 329183200 /nfs/dbraw/zinc/18/32/00/329183200.db2.gz PKXGRFMCFACCGO-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000177185069 329183202 /nfs/dbraw/zinc/18/32/02/329183202.db2.gz PKXGRFMCFACCGO-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000177185069 329183204 /nfs/dbraw/zinc/18/32/04/329183204.db2.gz PKXGRFMCFACCGO-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000177185069 329183205 /nfs/dbraw/zinc/18/32/05/329183205.db2.gz PKXGRFMCFACCGO-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127749663 329602013 /nfs/dbraw/zinc/60/20/13/329602013.db2.gz UHTFTIBCNOEICM-UHFFFAOYSA-N 2 2 298.430 2.759 20 30 CFEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000162561731 330069964 /nfs/dbraw/zinc/06/99/64/330069964.db2.gz LSJPJWDGQCUBFY-INIZCTEOSA-N 2 2 256.393 2.652 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422564408 330149324 /nfs/dbraw/zinc/14/93/24/330149324.db2.gz VXAXIKZYVFRDAF-UHFFFAOYSA-N 2 2 272.392 2.579 20 30 CFEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423505302 330208907 /nfs/dbraw/zinc/20/89/07/330208907.db2.gz OJXHLJZHAZYEOW-FRFSOERESA-N 2 2 271.408 2.921 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000424175632 330316146 /nfs/dbraw/zinc/31/61/46/330316146.db2.gz QELOERJGQKSWLG-YJBOKZPZSA-N 2 2 297.402 2.861 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC1(C#N)CCC1 ZINC000450856104 331003134 /nfs/dbraw/zinc/00/31/34/331003134.db2.gz NXVGLOQEGPFISK-UHFFFAOYSA-N 2 2 274.412 2.851 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1(C#N)CCC1 ZINC000450856104 331003135 /nfs/dbraw/zinc/00/31/35/331003135.db2.gz NXVGLOQEGPFISK-UHFFFAOYSA-N 2 2 274.412 2.851 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453341834 331119190 /nfs/dbraw/zinc/11/91/90/331119190.db2.gz DACAGVRTIGDTKJ-XYPHTWIQSA-N 2 2 283.375 2.866 20 30 CFEDLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000459363631 331278426 /nfs/dbraw/zinc/27/84/26/331278426.db2.gz RQGIQOZDGSXAIL-ZWKOTPCHSA-N 2 2 294.402 2.734 20 30 CFEDLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000459363631 331278427 /nfs/dbraw/zinc/27/84/27/331278427.db2.gz RQGIQOZDGSXAIL-ZWKOTPCHSA-N 2 2 294.402 2.734 20 30 CFEDLP CC(C)(CC#N)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000459731302 331296479 /nfs/dbraw/zinc/29/64/79/331296479.db2.gz NGFZZGOBRUCXTQ-UHFFFAOYSA-N 2 2 272.396 2.580 20 30 CFEDLP CC(C)(C#N)CCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727365 333453811 /nfs/dbraw/zinc/45/38/11/333453811.db2.gz KTBWKYDJGDCGSJ-UHFFFAOYSA-N 2 2 293.455 2.503 20 30 CFEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000174271177 335151661 /nfs/dbraw/zinc/15/16/61/335151661.db2.gz QMTRQHFRWAXWES-CQSZACIVSA-N 2 2 251.418 2.780 20 30 CFEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000174271177 335151662 /nfs/dbraw/zinc/15/16/62/335151662.db2.gz QMTRQHFRWAXWES-CQSZACIVSA-N 2 2 251.418 2.780 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]CC1(O)CCCC1)C(C)C ZINC000567262548 334699178 /nfs/dbraw/zinc/69/91/78/334699178.db2.gz UCHLVSPGAICUMW-INIZCTEOSA-N 2 2 280.456 2.580 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000581674659 336126825 /nfs/dbraw/zinc/12/68/25/336126825.db2.gz PTESWRKCQYAHTN-AWEZNQCLSA-N 2 2 274.412 2.929 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000581674659 336126826 /nfs/dbraw/zinc/12/68/26/336126826.db2.gz PTESWRKCQYAHTN-AWEZNQCLSA-N 2 2 274.412 2.929 20 30 CFEDLP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)ccc1C#N ZINC000423124626 533900350 /nfs/dbraw/zinc/90/03/50/533900350.db2.gz OXEWDJCOLFSUOV-DLBZAZTESA-N 2 2 293.370 2.801 20 30 CFEDLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423270004 528310170 /nfs/dbraw/zinc/31/01/70/528310170.db2.gz WFWHGPUWFJBJQF-YPMHNXCESA-N 2 2 263.360 2.721 20 30 CFEDLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423265817 528517742 /nfs/dbraw/zinc/51/77/42/528517742.db2.gz RKBXAURJAQHUFY-SMDDNHRTSA-N 2 2 263.360 2.721 20 30 CFEDLP CC1(C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925608776 618302617 /nfs/dbraw/zinc/30/26/17/618302617.db2.gz JPSNXODMEFOMHG-VNQPRFMTSA-N 2 2 287.382 2.564 20 30 CFEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000895380042 618558602 /nfs/dbraw/zinc/55/86/02/618558602.db2.gz NWGDBNWVARVHHK-PBHICJAKSA-N 2 2 286.423 2.505 20 30 CFEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000895380042 618558603 /nfs/dbraw/zinc/55/86/03/618558603.db2.gz NWGDBNWVARVHHK-PBHICJAKSA-N 2 2 286.423 2.505 20 30 CFEDLP C#CC[NH+]1CCC(Nc2cc[nH+]c3c(OC)cccc23)CC1 ZINC000895808452 619612970 /nfs/dbraw/zinc/61/29/70/619612970.db2.gz MXQAEIWQDUMZRF-UHFFFAOYSA-N 2 2 295.386 2.753 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902447201 621090074 /nfs/dbraw/zinc/09/00/74/621090074.db2.gz XAVTZEKCMLYCKS-LSDHHAIUSA-N 2 2 257.381 2.597 20 30 CFEDLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000902449233 621090988 /nfs/dbraw/zinc/09/09/88/621090988.db2.gz NCFOVTBWGCWIJS-HOTGVXAUSA-N 2 2 269.392 2.523 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)CC2 ZINC000902484318 621110726 /nfs/dbraw/zinc/11/07/26/621110726.db2.gz VMKRGXFKCMCJOJ-RDJZCZTQSA-N 2 2 269.392 2.667 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cccc(C#N)c1 ZINC000902484545 621110783 /nfs/dbraw/zinc/11/07/83/621110783.db2.gz WGZGGDNYTKWCGL-BBRMVZONSA-N 2 2 257.381 2.741 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000902992770 621219796 /nfs/dbraw/zinc/21/97/96/621219796.db2.gz LZEYUDFAYNOSNA-CABCVRRESA-N 2 2 280.375 2.880 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903012076 621229224 /nfs/dbraw/zinc/22/92/24/621229224.db2.gz MXTREXDDTLOWLK-GOEBONIOSA-N 2 2 285.391 2.850 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000903454944 621387903 /nfs/dbraw/zinc/38/79/03/621387903.db2.gz OOFBXJFDEYAIGG-HYSWKAIVSA-N 2 2 271.408 2.651 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000903454945 621388156 /nfs/dbraw/zinc/38/81/56/621388156.db2.gz OOFBXJFDEYAIGG-JDSLSITLSA-N 2 2 271.408 2.651 20 30 CFEDLP C#CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000830334031 624712120 /nfs/dbraw/zinc/71/21/20/624712120.db2.gz UTXVHGYMVORHRY-UHFFFAOYSA-N 2 2 265.360 2.718 20 30 CFEDLP CC(C)O[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000835004702 625952977 /nfs/dbraw/zinc/95/29/77/625952977.db2.gz WOVUIMXUGALKCJ-UHFFFAOYSA-N 2 2 295.814 2.851 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779062945 628348652 /nfs/dbraw/zinc/34/86/52/628348652.db2.gz WUTQLYZNMYONNN-GDBMZVCRSA-N 2 2 295.386 2.561 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000852743767 634819682 /nfs/dbraw/zinc/81/96/82/634819682.db2.gz JRINUWRYJHKGAF-GFCCVEGCSA-N 2 2 297.324 2.748 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(C(F)(F)F)c1 ZINC000852743767 634819686 /nfs/dbraw/zinc/81/96/86/634819686.db2.gz JRINUWRYJHKGAF-GFCCVEGCSA-N 2 2 297.324 2.748 20 30 CFEDLP N#Cc1ccc(CC[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000852748014 634821410 /nfs/dbraw/zinc/82/14/10/634821410.db2.gz GDDMEBJVIXCUCR-RBUKOAKNSA-N 2 2 291.398 2.527 20 30 CFEDLP N#Cc1ccc(CC[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000852748014 634821415 /nfs/dbraw/zinc/82/14/15/634821415.db2.gz GDDMEBJVIXCUCR-RBUKOAKNSA-N 2 2 291.398 2.527 20 30 CFEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000817916641 632733356 /nfs/dbraw/zinc/73/33/56/632733356.db2.gz ADNNZBOLLYZADD-QRTARXTBSA-N 2 2 287.407 2.598 20 30 CFEDLP CCOc1cccc(/C=[NH+]/C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000846756891 632788011 /nfs/dbraw/zinc/78/80/11/632788011.db2.gz OLPSFEDIWYFRIW-MXWHECSWSA-N 2 2 276.380 2.550 20 30 CFEDLP CCN(C)c1ccc(C(C)=[NH+]NCCCn2cc[nH+]c2)cc1 ZINC000848419013 633255927 /nfs/dbraw/zinc/25/59/27/633255927.db2.gz UHURMEYUVOKARP-UHFFFAOYSA-N 2 2 299.422 2.743 20 30 CFEDLP C#CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000848536527 633281479 /nfs/dbraw/zinc/28/14/79/633281479.db2.gz QUOBKNRYIZRMBG-RTBURBONSA-N 2 2 298.430 2.594 20 30 CFEDLP C#CCCCOc1ccc[nH+]c1NCC(C)(C)C[NH+](C)C ZINC000853085801 634899865 /nfs/dbraw/zinc/89/98/65/634899865.db2.gz ZTQREVTVANUKDA-UHFFFAOYSA-N 2 2 289.423 2.874 20 30 CFEDLP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858286127 636175527 /nfs/dbraw/zinc/17/55/27/636175527.db2.gz SVBQMSBPRTVGAF-GOSISDBHSA-N 2 2 298.430 2.805 20 30 CFEDLP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858286127 636175534 /nfs/dbraw/zinc/17/55/34/636175534.db2.gz SVBQMSBPRTVGAF-GOSISDBHSA-N 2 2 298.430 2.805 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865453688 638344604 /nfs/dbraw/zinc/34/46/04/638344604.db2.gz IFABEVPILCOULR-UHFFFAOYSA-N 2 2 283.778 2.614 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1O ZINC000866236353 638776468 /nfs/dbraw/zinc/77/64/68/638776468.db2.gz DCXJHYZKGMKDCH-AEGPPILISA-N 2 2 285.391 2.541 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1O ZINC000866236353 638776471 /nfs/dbraw/zinc/77/64/71/638776471.db2.gz DCXJHYZKGMKDCH-AEGPPILISA-N 2 2 285.391 2.541 20 30 CFEDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C#N)c1O ZINC000866250008 638779840 /nfs/dbraw/zinc/77/98/40/638779840.db2.gz SAIIBWZIQPCUQB-ZDUSSCGKSA-N 2 2 299.418 2.931 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000866364173 638804721 /nfs/dbraw/zinc/80/47/21/638804721.db2.gz PZPHQJCTZVKQDH-MRXNPFEDSA-N 2 2 273.424 2.776 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CCC)c1cc(C)ccn1 ZINC000866364173 638804722 /nfs/dbraw/zinc/80/47/22/638804722.db2.gz PZPHQJCTZVKQDH-MRXNPFEDSA-N 2 2 273.424 2.776 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc(C#N)cc1 ZINC000873236708 642088428 /nfs/dbraw/zinc/08/84/28/642088428.db2.gz IWPCGVOUXDDFAC-CJNGLKHVSA-N 2 2 271.408 2.987 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C#N)CC1 ZINC000876956480 643079672 /nfs/dbraw/zinc/07/96/72/643079672.db2.gz LJCWBGHTBVBMFE-NRXISQOPSA-N 2 2 274.412 2.970 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877009033 643102231 /nfs/dbraw/zinc/10/22/31/643102231.db2.gz FIIKUYCFKJWJNP-UHFFFAOYSA-N 2 2 279.815 2.662 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877074092 643136149 /nfs/dbraw/zinc/13/61/49/643136149.db2.gz ZDIRDCULRYQMAD-UONOGXRCSA-N 2 2 292.814 2.569 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000883131302 645618024 /nfs/dbraw/zinc/61/80/24/645618024.db2.gz VJCBWOFXPKLFER-UHFFFAOYSA-N 2 2 274.339 2.617 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000883131302 645618028 /nfs/dbraw/zinc/61/80/28/645618028.db2.gz VJCBWOFXPKLFER-UHFFFAOYSA-N 2 2 274.339 2.617 20 30 CFEDLP C=CCC[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000883196987 645657837 /nfs/dbraw/zinc/65/78/37/645657837.db2.gz ZUPRMNXQNWBQEI-JKSUJKDBSA-N 2 2 289.423 2.987 20 30 CFEDLP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883389723 645787609 /nfs/dbraw/zinc/78/76/09/645787609.db2.gz WZSZDHSDLIXZNS-HOCLYGCPSA-N 2 2 285.391 2.850 20 30 CFEDLP C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883389724 645787674 /nfs/dbraw/zinc/78/76/74/645787674.db2.gz WZSZDHSDLIXZNS-ZBFHGGJFSA-N 2 2 285.391 2.850 20 30 CFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCC(C)C)c1ccsc1 ZINC000104166741 647552891 /nfs/dbraw/zinc/55/28/91/647552891.db2.gz PFNXOGFDRIQWET-AWEZNQCLSA-N 2 2 296.484 2.691 20 30 CFEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000925011921 648088134 /nfs/dbraw/zinc/08/81/34/648088134.db2.gz SUQTZTUGCXFGNX-BBRMVZONSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000925011921 648088137 /nfs/dbraw/zinc/08/81/37/648088137.db2.gz SUQTZTUGCXFGNX-BBRMVZONSA-N 2 2 287.407 2.646 20 30 CFEDLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000925524587 648198620 /nfs/dbraw/zinc/19/86/20/648198620.db2.gz VXFMHDOHGAFBSX-MGPQQGTHSA-N 2 2 251.418 2.633 20 30 CFEDLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000925524587 648198621 /nfs/dbraw/zinc/19/86/21/648198621.db2.gz VXFMHDOHGAFBSX-MGPQQGTHSA-N 2 2 251.418 2.633 20 30 CFEDLP N#CCc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925710314 648290293 /nfs/dbraw/zinc/29/02/93/648290293.db2.gz WHPUHCNINYNDCR-INIZCTEOSA-N 2 2 269.392 2.517 20 30 CFEDLP CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000925838176 648339081 /nfs/dbraw/zinc/33/90/81/648339081.db2.gz KEJJXXFAIUJULZ-IRXDYDNUSA-N 2 2 271.408 2.877 20 30 CFEDLP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1C#N ZINC000925842145 648340979 /nfs/dbraw/zinc/34/09/79/648340979.db2.gz WTZFMYIHNNEISP-GFCCVEGCSA-N 2 2 266.348 2.525 20 30 CFEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000926812380 648625255 /nfs/dbraw/zinc/62/52/55/648625255.db2.gz MMSMKDIUYOTUST-CEXWTWQISA-N 2 2 295.430 2.632 20 30 CFEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000926812380 648625256 /nfs/dbraw/zinc/62/52/56/648625256.db2.gz MMSMKDIUYOTUST-CEXWTWQISA-N 2 2 295.430 2.632 20 30 CFEDLP C=CC[NH+]1CCN(c2[nH+]c(C)cc3ccccc32)CC1 ZINC001165032098 721868632 /nfs/dbraw/zinc/86/86/32/721868632.db2.gz HFKAGCDZCWQCQU-UHFFFAOYSA-N 2 2 267.376 2.851 20 30 CFEDLP CC[N@H+](CCc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC001208926294 769968345 /nfs/dbraw/zinc/96/83/45/769968345.db2.gz OEZSNKXZXHRMPW-UHFFFAOYSA-N 2 2 271.408 2.517 20 30 CFEDLP CC[N@@H+](CCc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC001208926294 769968354 /nfs/dbraw/zinc/96/83/54/769968354.db2.gz OEZSNKXZXHRMPW-UHFFFAOYSA-N 2 2 271.408 2.517 20 30 CFEDLP C#CC[N@H+](C)CCCNc1[nH+]c2ccccc2cc1C ZINC000328109224 775718241 /nfs/dbraw/zinc/71/82/41/775718241.db2.gz NMFIEMAGYDXIJL-UHFFFAOYSA-N 2 2 267.376 2.910 20 30 CFEDLP C#CC[N@@H+](C)CCCNc1[nH+]c2ccccc2cc1C ZINC000328109224 775718251 /nfs/dbraw/zinc/71/82/51/775718251.db2.gz NMFIEMAGYDXIJL-UHFFFAOYSA-N 2 2 267.376 2.910 20 30 CFEDLP C#Cc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC001231656798 777296250 /nfs/dbraw/zinc/29/62/50/777296250.db2.gz RTGHGYCTKUBDAE-UHFFFAOYSA-N 2 2 268.404 2.728 20 30 CFEDLP C=CCc1cccc(C[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1O ZINC001235114405 778385641 /nfs/dbraw/zinc/38/56/41/778385641.db2.gz CVYPYAXEDDYIRK-SFHVURJKSA-N 2 2 286.419 2.839 20 30 CFEDLP C=CCc1cccc(C[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1O ZINC001235114405 778385649 /nfs/dbraw/zinc/38/56/49/778385649.db2.gz CVYPYAXEDDYIRK-SFHVURJKSA-N 2 2 286.419 2.839 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235179540 778405609 /nfs/dbraw/zinc/40/56/09/778405609.db2.gz RBGWUBHKTKGUCZ-GOSISDBHSA-N 2 2 268.404 2.776 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235179540 778405612 /nfs/dbraw/zinc/40/56/12/778405612.db2.gz RBGWUBHKTKGUCZ-GOSISDBHSA-N 2 2 268.404 2.776 20 30 CFEDLP N#Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1F ZINC001235896017 778596693 /nfs/dbraw/zinc/59/66/93/778596693.db2.gz XLQCQLYCCIDSHL-MRXNPFEDSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1F ZINC001235896017 778596695 /nfs/dbraw/zinc/59/66/95/778596695.db2.gz XLQCQLYCCIDSHL-MRXNPFEDSA-N 2 2 295.361 2.897 20 30 CFEDLP C=CCc1cccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1O ZINC001236206887 778734622 /nfs/dbraw/zinc/73/46/22/778734622.db2.gz LFPYHNAEXZJFRO-KRWDZBQOSA-N 2 2 274.408 2.695 20 30 CFEDLP C=CCc1cccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1O ZINC001236206887 778734624 /nfs/dbraw/zinc/73/46/24/778734624.db2.gz LFPYHNAEXZJFRO-KRWDZBQOSA-N 2 2 274.408 2.695 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236419816 778813705 /nfs/dbraw/zinc/81/37/05/778813705.db2.gz KLQXDMLONIRQPE-CJNGLKHVSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236419816 778813713 /nfs/dbraw/zinc/81/37/13/778813713.db2.gz KLQXDMLONIRQPE-CJNGLKHVSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCc1cccc(C[N@@H+](C(C)C)[C@H]2CC[NH2+]C2)c1O ZINC001236530124 778864591 /nfs/dbraw/zinc/86/45/91/778864591.db2.gz PONXEIXWARYXGJ-INIZCTEOSA-N 2 2 274.408 2.693 20 30 CFEDLP C=CCc1cccc(C[N@H+](C(C)C)[C@H]2CC[NH2+]C2)c1O ZINC001236530124 778864596 /nfs/dbraw/zinc/86/45/96/778864596.db2.gz PONXEIXWARYXGJ-INIZCTEOSA-N 2 2 274.408 2.693 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000921701960 780180998 /nfs/dbraw/zinc/18/09/98/780180998.db2.gz FPDCGWCPEQECLO-AWEZNQCLSA-N 2 2 286.419 2.750 20 30 CFEDLP N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242717189 781717407 /nfs/dbraw/zinc/71/74/07/781717407.db2.gz PRFCIVJIBBLWQM-KRWDZBQOSA-N 2 2 277.371 2.758 20 30 CFEDLP N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242717189 781717412 /nfs/dbraw/zinc/71/74/12/781717412.db2.gz PRFCIVJIBBLWQM-KRWDZBQOSA-N 2 2 277.371 2.758 20 30 CFEDLP N#Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594522498 349442217 /nfs/dbraw/zinc/44/22/17/349442217.db2.gz YUPFFNZVMBBAIL-IAGOWNOFSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594522498 349442221 /nfs/dbraw/zinc/44/22/21/349442221.db2.gz YUPFFNZVMBBAIL-IAGOWNOFSA-N 2 2 269.392 2.665 20 30 CFEDLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(C#N)c1 ZINC000594930346 349514854 /nfs/dbraw/zinc/51/48/54/349514854.db2.gz VEYRACSRCNGFGM-LBPRGKRZSA-N 2 2 266.348 2.552 20 30 CFEDLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1C#N ZINC000594959256 349529182 /nfs/dbraw/zinc/52/91/82/349529182.db2.gz AZJHTYRECPIBPK-MRXNPFEDSA-N 2 2 271.408 2.829 20 30 CFEDLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1C#N ZINC000594959256 349529188 /nfs/dbraw/zinc/52/91/88/349529188.db2.gz AZJHTYRECPIBPK-MRXNPFEDSA-N 2 2 271.408 2.829 20 30 CFEDLP N#CCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000594961383 349531614 /nfs/dbraw/zinc/53/16/14/349531614.db2.gz YMDJUWUFTPINFS-MRXNPFEDSA-N 2 2 280.375 2.964 20 30 CFEDLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1C ZINC000594968605 349534839 /nfs/dbraw/zinc/53/48/39/349534839.db2.gz KAHNZAOUOFBOKZ-UHFFFAOYSA-N 2 2 268.364 2.625 20 30 CFEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595087802 349577241 /nfs/dbraw/zinc/57/72/41/349577241.db2.gz DTKDWBKXJIMJSG-ARFHVFGLSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000595087805 349577481 /nfs/dbraw/zinc/57/74/81/349577481.db2.gz DTKDWBKXJIMJSG-XHSDSOJGSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595896901 349763942 /nfs/dbraw/zinc/76/39/42/349763942.db2.gz ZFNOEEYXDKBNLV-GWCFXTLKSA-N 2 2 297.324 2.889 20 30 CFEDLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595896901 349763945 /nfs/dbraw/zinc/76/39/45/349763945.db2.gz ZFNOEEYXDKBNLV-GWCFXTLKSA-N 2 2 297.324 2.889 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000090047572 347536889 /nfs/dbraw/zinc/53/68/89/347536889.db2.gz MOHHOHXUUQAQJB-JKSUJKDBSA-N 2 2 268.445 2.822 20 30 CFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+]CC(C)(C)CCC#N ZINC000229689224 348202917 /nfs/dbraw/zinc/20/29/17/348202917.db2.gz JNZGIIZJNIEBHE-CQSZACIVSA-N 2 2 251.418 2.780 20 30 CFEDLP C[C@@H]([NH2+]C[C@H](C)C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743301 348407423 /nfs/dbraw/zinc/40/74/23/348407423.db2.gz WSKHDMDQLOBBAF-INMHGKMJSA-N 2 2 271.408 2.646 20 30 CFEDLP C[C@@H]([NH2+]C[C@H](C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743301 348407424 /nfs/dbraw/zinc/40/74/24/348407424.db2.gz WSKHDMDQLOBBAF-INMHGKMJSA-N 2 2 271.408 2.646 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743302 348407461 /nfs/dbraw/zinc/40/74/61/348407461.db2.gz WSKHDMDQLOBBAF-VYDXJSESSA-N 2 2 271.408 2.646 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743302 348407462 /nfs/dbraw/zinc/40/74/62/348407462.db2.gz WSKHDMDQLOBBAF-VYDXJSESSA-N 2 2 271.408 2.646 20 30 CFEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718557 348739714 /nfs/dbraw/zinc/73/97/14/348739714.db2.gz LJXPRPIYWIXXAF-MRXNPFEDSA-N 2 2 293.455 2.503 20 30 CFEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718557 348739711 /nfs/dbraw/zinc/73/97/11/348739711.db2.gz LJXPRPIYWIXXAF-MRXNPFEDSA-N 2 2 293.455 2.503 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591581142 349032937 /nfs/dbraw/zinc/03/29/37/349032937.db2.gz LREBDWPOBADZAC-YQQAZPJKSA-N 2 2 287.382 2.615 20 30 CFEDLP C[C@H]([NH2+]Cc1ccncc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000592098993 349082286 /nfs/dbraw/zinc/08/22/86/349082286.db2.gz IVIVNWHJYQCXFZ-GOEBONIOSA-N 2 2 298.434 2.696 20 30 CFEDLP C[C@H]([NH2+]Cc1ccncc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000592098993 349082288 /nfs/dbraw/zinc/08/22/88/349082288.db2.gz IVIVNWHJYQCXFZ-GOEBONIOSA-N 2 2 298.434 2.696 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(CC)[nH+]cn1)C(C)C ZINC000592455192 349122600 /nfs/dbraw/zinc/12/26/00/349122600.db2.gz KUZLOEPPYGJYHX-MRXNPFEDSA-N 2 2 288.439 2.571 20 30 CFEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035823 349358383 /nfs/dbraw/zinc/35/83/83/349358383.db2.gz SGLIHUVGVKTCOS-MRXNPFEDSA-N 2 2 269.392 2.621 20 30 CFEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035823 349358389 /nfs/dbraw/zinc/35/83/89/349358389.db2.gz SGLIHUVGVKTCOS-MRXNPFEDSA-N 2 2 269.392 2.621 20 30 CFEDLP CC(C)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593688334 349310365 /nfs/dbraw/zinc/31/03/65/349310365.db2.gz OTPFNKUHBHTZNU-UHFFFAOYSA-N 2 2 271.408 2.768 20 30 CFEDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496191 349430356 /nfs/dbraw/zinc/43/03/56/349430356.db2.gz JNIPAXZRKSZTAG-INIZCTEOSA-N 2 2 271.408 2.672 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496191 349430360 /nfs/dbraw/zinc/43/03/60/349430360.db2.gz JNIPAXZRKSZTAG-INIZCTEOSA-N 2 2 271.408 2.672 20 30 CFEDLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CC1(C)C ZINC000598962746 350349798 /nfs/dbraw/zinc/34/97/98/350349798.db2.gz JKBXFIFILSDGKB-CQSZACIVSA-N 2 2 275.371 2.660 20 30 CFEDLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CC1(C)C ZINC000598962746 350349800 /nfs/dbraw/zinc/34/98/00/350349800.db2.gz JKBXFIFILSDGKB-CQSZACIVSA-N 2 2 275.371 2.660 20 30 CFEDLP C[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)CC1(C)C ZINC000598988736 350354695 /nfs/dbraw/zinc/35/46/95/350354695.db2.gz RZVVIBHJZUBBCZ-CQSZACIVSA-N 2 2 263.429 2.923 20 30 CFEDLP C[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)CC1(C)C ZINC000598988736 350354696 /nfs/dbraw/zinc/35/46/96/350354696.db2.gz RZVVIBHJZUBBCZ-CQSZACIVSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[NH+](CC)CCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679201 350480971 /nfs/dbraw/zinc/48/09/71/350480971.db2.gz XKFRVKPYDUHVQR-UHFFFAOYSA-N 2 2 285.435 2.843 20 30 CFEDLP CC[NH+](CC)CCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679201 350480973 /nfs/dbraw/zinc/48/09/73/350480973.db2.gz XKFRVKPYDUHVQR-UHFFFAOYSA-N 2 2 285.435 2.843 20 30 CFEDLP N#Cc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795877 186271946 /nfs/dbraw/zinc/27/19/46/186271946.db2.gz ORLQSPSFURLQEN-UHFFFAOYSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000109794517 186271471 /nfs/dbraw/zinc/27/14/71/186271471.db2.gz ZWKZADSZYMWYEG-UHFFFAOYSA-N 2 2 284.338 2.731 20 30 CFEDLP CC(C)(F)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000601137542 350678993 /nfs/dbraw/zinc/67/89/93/350678993.db2.gz YZZQMJWVIPEVSG-UHFFFAOYSA-N 2 2 289.398 2.860 20 30 CFEDLP C[C@H](C[NH2+]Cc1cccc(F)c1C#N)C[NH+]1CCCCC1 ZINC000602007839 350829070 /nfs/dbraw/zinc/82/90/70/350829070.db2.gz ZQBOASFRHTZDDP-CQSZACIVSA-N 2 2 289.398 2.909 20 30 CFEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000602566636 350926610 /nfs/dbraw/zinc/92/66/10/350926610.db2.gz YKYXETOXKVJHHO-UHFFFAOYSA-N 2 2 298.434 2.840 20 30 CFEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602564817 350927018 /nfs/dbraw/zinc/92/70/18/350927018.db2.gz OHVKRUKJCKSZQA-PJPHBNEVSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602564817 350927021 /nfs/dbraw/zinc/92/70/21/350927021.db2.gz OHVKRUKJCKSZQA-PJPHBNEVSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H](CCC#N)C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000602466465 350892540 /nfs/dbraw/zinc/89/25/40/350892540.db2.gz VOKDZCAHSJTSRS-HOTGVXAUSA-N 2 2 263.429 2.877 20 30 CFEDLP C[C@@H](CCC#N)C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000602466465 350892543 /nfs/dbraw/zinc/89/25/43/350892543.db2.gz VOKDZCAHSJTSRS-HOTGVXAUSA-N 2 2 263.429 2.877 20 30 CFEDLP C[C@@H](CCC#N)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000602698822 350985859 /nfs/dbraw/zinc/98/58/59/350985859.db2.gz ZKQKTWDZFUGULK-AWEZNQCLSA-N 2 2 251.418 2.732 20 30 CFEDLP C[C@@H](CCC#N)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000602698822 350985863 /nfs/dbraw/zinc/98/58/63/350985863.db2.gz ZKQKTWDZFUGULK-AWEZNQCLSA-N 2 2 251.418 2.732 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000602705504 350990357 /nfs/dbraw/zinc/99/03/57/350990357.db2.gz HDDDQKFPGQDHHP-GJZGRUSLSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000602705504 350990359 /nfs/dbraw/zinc/99/03/59/350990359.db2.gz HDDDQKFPGQDHHP-GJZGRUSLSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000602722199 351000385 /nfs/dbraw/zinc/00/03/85/351000385.db2.gz YRFZRHSLJJSIAY-HOCLYGCPSA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000602722199 351000390 /nfs/dbraw/zinc/00/03/90/351000390.db2.gz YRFZRHSLJJSIAY-HOCLYGCPSA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000603432903 351163912 /nfs/dbraw/zinc/16/39/12/351163912.db2.gz KCBCLIMMBFVRND-DVOMOZLQSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000603432903 351163914 /nfs/dbraw/zinc/16/39/14/351163914.db2.gz KCBCLIMMBFVRND-DVOMOZLQSA-N 2 2 257.381 2.506 20 30 CFEDLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390774 351679423 /nfs/dbraw/zinc/67/94/23/351679423.db2.gz DAARUHUZOKYQMT-DOTOQJQBSA-N 2 2 269.392 2.619 20 30 CFEDLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390774 351679425 /nfs/dbraw/zinc/67/94/25/351679425.db2.gz DAARUHUZOKYQMT-DOTOQJQBSA-N 2 2 269.392 2.619 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1F ZINC000611371593 351676039 /nfs/dbraw/zinc/67/60/39/351676039.db2.gz BVZZXCAQBKUENP-OAHLLOKOSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1F ZINC000611371593 351676042 /nfs/dbraw/zinc/67/60/42/351676042.db2.gz BVZZXCAQBKUENP-OAHLLOKOSA-N 2 2 284.338 2.731 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622006206 353465225 /nfs/dbraw/zinc/46/52/25/353465225.db2.gz WJRZVPDNULNRHB-DOTOQJQBSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622006206 353465230 /nfs/dbraw/zinc/46/52/30/353465230.db2.gz WJRZVPDNULNRHB-DOTOQJQBSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(OC)c2F)CC1 ZINC000192680882 540136174 /nfs/dbraw/zinc/13/61/74/540136174.db2.gz ZJJVTZBQMIQAAO-UHFFFAOYSA-N 2 2 278.371 2.574 20 30 CFEDLP C(#CCn1c[nH+]c2c1CCCC2)Cn1c[nH+]c2c1CCCC2 ZINC000296848391 200015346 /nfs/dbraw/zinc/01/53/46/200015346.db2.gz SYNPLKPAOWCFNT-UHFFFAOYSA-N 2 2 294.402 2.541 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181113110 189289109 /nfs/dbraw/zinc/28/91/09/189289109.db2.gz RNVRTXXLYIAXNK-AWEZNQCLSA-N 2 2 268.364 2.838 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181113110 189289110 /nfs/dbraw/zinc/28/91/10/189289110.db2.gz RNVRTXXLYIAXNK-AWEZNQCLSA-N 2 2 268.364 2.838 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCC3)CC2)cc1 ZINC000181589016 189301920 /nfs/dbraw/zinc/30/19/20/189301920.db2.gz VORZGQXNZHVGFZ-UHFFFAOYSA-N 2 2 283.419 2.912 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000181716452 189304692 /nfs/dbraw/zinc/30/46/92/189304692.db2.gz UDUPCFFOCYFJGH-CQSZACIVSA-N 2 2 269.392 2.859 20 30 CFEDLP C=CC[N@@H+](CCc1ccccc1)Cc1c[nH+]c(C)n1C ZINC000667557518 541256023 /nfs/dbraw/zinc/25/60/23/541256023.db2.gz XYMROBQRXNWAJH-UHFFFAOYSA-N 2 2 269.392 2.959 20 30 CFEDLP C=CC[N@H+](CCc1ccccc1)Cc1c[nH+]c(C)n1C ZINC000667557518 541256024 /nfs/dbraw/zinc/25/60/24/541256024.db2.gz XYMROBQRXNWAJH-UHFFFAOYSA-N 2 2 269.392 2.959 20 30 CFEDLP C=CCC[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000276447974 193334616 /nfs/dbraw/zinc/33/46/16/193334616.db2.gz PFTCQQXIQUNAKG-OAHLLOKOSA-N 2 2 287.407 2.522 20 30 CFEDLP C=CCC[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000276447974 193334617 /nfs/dbraw/zinc/33/46/17/193334617.db2.gz PFTCQQXIQUNAKG-OAHLLOKOSA-N 2 2 287.407 2.522 20 30 CFEDLP CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000049555460 373310359 /nfs/dbraw/zinc/31/03/59/373310359.db2.gz YHJDZTWIKHNNTM-UHFFFAOYSA-N 2 2 275.371 2.661 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)CC[N@@H+]1C ZINC000123535459 220211969 /nfs/dbraw/zinc/21/19/69/220211969.db2.gz GXEKYWVGXBZBNL-WBMJQRKESA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)CC[N@H+]1C ZINC000123535459 220211976 /nfs/dbraw/zinc/21/19/76/220211976.db2.gz GXEKYWVGXBZBNL-WBMJQRKESA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)CC[NH+]1C ZINC000123535459 220211980 /nfs/dbraw/zinc/21/19/80/220211980.db2.gz GXEKYWVGXBZBNL-WBMJQRKESA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)CC[NH+]1C ZINC000123535459 220211985 /nfs/dbraw/zinc/21/19/85/220211985.db2.gz GXEKYWVGXBZBNL-WBMJQRKESA-N 2 2 275.371 2.612 20 30 CFEDLP CCCCNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264091611 383696088 /nfs/dbraw/zinc/69/60/88/383696088.db2.gz LBWGNEKGOXZZKS-CQSZACIVSA-N 2 2 292.427 2.511 20 30 CFEDLP CC(C)c1cccc(NC(=[NH2+])NCCCn2cc[nH+]c2)c1 ZINC000264104091 383696651 /nfs/dbraw/zinc/69/66/51/383696651.db2.gz NGZBWPQPYYEAMM-UHFFFAOYSA-N 2 2 285.395 2.823 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)(C)CCC#N ZINC000091893098 375068177 /nfs/dbraw/zinc/06/81/77/375068177.db2.gz YLWIZODEURQNQY-CABCVRRESA-N 2 2 263.429 2.875 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)(C)CCC#N ZINC000091893098 375068184 /nfs/dbraw/zinc/06/81/84/375068184.db2.gz YLWIZODEURQNQY-CABCVRRESA-N 2 2 263.429 2.875 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)(C)CCC#N ZINC000091893098 375068189 /nfs/dbraw/zinc/06/81/89/375068189.db2.gz YLWIZODEURQNQY-CABCVRRESA-N 2 2 263.429 2.875 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)CCC#N ZINC000091893098 375068195 /nfs/dbraw/zinc/06/81/95/375068195.db2.gz YLWIZODEURQNQY-CABCVRRESA-N 2 2 263.429 2.875 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000118532612 376301219 /nfs/dbraw/zinc/30/12/19/376301219.db2.gz MBCOXVNFPJAFHH-CYBMUJFWSA-N 2 2 257.381 2.645 20 30 CFEDLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000119949122 376512160 /nfs/dbraw/zinc/51/21/60/376512160.db2.gz JDKRHHAOGXQHBU-CQSZACIVSA-N 2 2 260.385 2.596 20 30 CFEDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000119949122 376512171 /nfs/dbraw/zinc/51/21/71/376512171.db2.gz JDKRHHAOGXQHBU-CQSZACIVSA-N 2 2 260.385 2.596 20 30 CFEDLP N#Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1F ZINC000121401423 376823409 /nfs/dbraw/zinc/82/34/09/376823409.db2.gz BKVYRPGDEUYNEL-OAHLLOKOSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1F ZINC000121401423 376823417 /nfs/dbraw/zinc/82/34/17/376823417.db2.gz BKVYRPGDEUYNEL-OAHLLOKOSA-N 2 2 287.382 2.615 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000131395451 377705079 /nfs/dbraw/zinc/70/50/79/377705079.db2.gz CHJXMWFSFFYMNG-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000131395451 377705087 /nfs/dbraw/zinc/70/50/87/377705087.db2.gz CHJXMWFSFFYMNG-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP C=CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(OC)cc1 ZINC000131220318 377677832 /nfs/dbraw/zinc/67/78/32/377677832.db2.gz VZODYWXGXHQKKL-UHFFFAOYSA-N 2 2 271.364 2.580 20 30 CFEDLP C=CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(OC)cc1 ZINC000131220318 377677841 /nfs/dbraw/zinc/67/78/41/377677841.db2.gz VZODYWXGXHQKKL-UHFFFAOYSA-N 2 2 271.364 2.580 20 30 CFEDLP N#Cc1ccc(F)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000160330431 378763597 /nfs/dbraw/zinc/76/35/97/378763597.db2.gz KMNCRNNFMSJGBM-UHFFFAOYSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1F ZINC000334272852 379012414 /nfs/dbraw/zinc/01/24/14/379012414.db2.gz JJAHWPTXZUJDDZ-UHFFFAOYSA-N 2 2 284.338 2.731 20 30 CFEDLP CC#CCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000168237550 379083316 /nfs/dbraw/zinc/08/33/16/379083316.db2.gz LHAQKMQRYPZBGO-KRWDZBQOSA-N 2 2 256.393 2.654 20 30 CFEDLP CC#CCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000168237550 379083326 /nfs/dbraw/zinc/08/33/26/379083326.db2.gz LHAQKMQRYPZBGO-KRWDZBQOSA-N 2 2 256.393 2.654 20 30 CFEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174273392 379855428 /nfs/dbraw/zinc/85/54/28/379855428.db2.gz UWGRFDRWUNHOCO-OKILXGFUSA-N 2 2 275.396 2.609 20 30 CFEDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174273392 379855436 /nfs/dbraw/zinc/85/54/36/379855436.db2.gz UWGRFDRWUNHOCO-OKILXGFUSA-N 2 2 275.396 2.609 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000178642248 380473405 /nfs/dbraw/zinc/47/34/05/380473405.db2.gz OYGJYLVZJUFSAC-RDJZCZTQSA-N 2 2 271.408 2.933 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000178642248 380473410 /nfs/dbraw/zinc/47/34/10/380473410.db2.gz OYGJYLVZJUFSAC-RDJZCZTQSA-N 2 2 271.408 2.933 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000178642236 380473602 /nfs/dbraw/zinc/47/36/02/380473602.db2.gz OYGJYLVZJUFSAC-WBVHZDCISA-N 2 2 271.408 2.933 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000178642236 380473608 /nfs/dbraw/zinc/47/36/08/380473608.db2.gz OYGJYLVZJUFSAC-WBVHZDCISA-N 2 2 271.408 2.933 20 30 CFEDLP CC(C)[NH2+]C1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000179837485 380585206 /nfs/dbraw/zinc/58/52/06/380585206.db2.gz ULJOJJRFMKULTN-UHFFFAOYSA-N 2 2 263.410 2.582 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542440 380674678 /nfs/dbraw/zinc/67/46/78/380674678.db2.gz NZOHOJFBRVBXMH-YCPHGPKFSA-N 2 2 299.418 2.865 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542440 380674684 /nfs/dbraw/zinc/67/46/84/380674684.db2.gz NZOHOJFBRVBXMH-YCPHGPKFSA-N 2 2 299.418 2.865 20 30 CFEDLP C=CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000346992495 380854467 /nfs/dbraw/zinc/85/44/67/380854467.db2.gz UHQDTYUZRSLQFU-DOTOQJQBSA-N 2 2 273.424 2.848 20 30 CFEDLP C=CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000346992495 380854478 /nfs/dbraw/zinc/85/44/78/380854478.db2.gz UHQDTYUZRSLQFU-DOTOQJQBSA-N 2 2 273.424 2.848 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358561591 380928522 /nfs/dbraw/zinc/92/85/22/380928522.db2.gz GQLCYHFTUJIBKK-MBNYWOFBSA-N 2 2 275.371 2.831 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358561591 380928528 /nfs/dbraw/zinc/92/85/28/380928528.db2.gz GQLCYHFTUJIBKK-MBNYWOFBSA-N 2 2 275.371 2.831 20 30 CFEDLP N#CCCC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000353917246 380953284 /nfs/dbraw/zinc/95/32/84/380953284.db2.gz ULPNXNNBYDKGPP-OAHLLOKOSA-N 2 2 254.337 2.934 20 30 CFEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368409856 381016130 /nfs/dbraw/zinc/01/61/30/381016130.db2.gz HSTMRTXEHQBNTM-SJORKVTESA-N 2 2 288.435 2.566 20 30 CFEDLP C=CC[C@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368409856 381016138 /nfs/dbraw/zinc/01/61/38/381016138.db2.gz HSTMRTXEHQBNTM-SJORKVTESA-N 2 2 288.435 2.566 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2nccn2C)CC1 ZINC000182870610 381177793 /nfs/dbraw/zinc/17/77/93/381177793.db2.gz VXQNUDJWAORXMZ-OAHLLOKOSA-N 2 2 276.428 2.501 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)s1 ZINC000370132614 381388583 /nfs/dbraw/zinc/38/85/83/381388583.db2.gz OAGFABQQRJLENE-UHFFFAOYSA-N 2 2 275.421 2.726 20 30 CFEDLP C=CCOCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000348042807 381454860 /nfs/dbraw/zinc/45/48/60/381454860.db2.gz ZSAKRGOMTFFYLP-UHFFFAOYSA-N 2 2 291.439 2.968 20 30 CFEDLP C#CCCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290523442 381465821 /nfs/dbraw/zinc/46/58/21/381465821.db2.gz QFBXYIOCOJPNPU-UHFFFAOYSA-N 2 2 297.402 2.807 20 30 CFEDLP C#CCCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000290523442 381465826 /nfs/dbraw/zinc/46/58/26/381465826.db2.gz QFBXYIOCOJPNPU-UHFFFAOYSA-N 2 2 297.402 2.807 20 30 CFEDLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000371507133 381647930 /nfs/dbraw/zinc/64/79/30/381647930.db2.gz YDQZEILQJNGLQF-CQSZACIVSA-N 2 2 294.402 2.984 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000361890930 381871825 /nfs/dbraw/zinc/87/18/25/381871825.db2.gz VSFFASGDXACVDX-JFIYKMOQSA-N 2 2 292.467 2.822 20 30 CFEDLP C=C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344105859 382130965 /nfs/dbraw/zinc/13/09/65/382130965.db2.gz QMTPHTWPXHLNJL-CQSZACIVSA-N 2 2 269.392 2.687 20 30 CFEDLP N#CC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000352431931 382330188 /nfs/dbraw/zinc/33/01/88/382330188.db2.gz NOCNMIFEALVHOT-ZWKOTPCHSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000352431931 382330192 /nfs/dbraw/zinc/33/01/92/382330192.db2.gz NOCNMIFEALVHOT-ZWKOTPCHSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000352431931 382330196 /nfs/dbraw/zinc/33/01/96/382330196.db2.gz NOCNMIFEALVHOT-ZWKOTPCHSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000352431931 382330199 /nfs/dbraw/zinc/33/01/99/382330199.db2.gz NOCNMIFEALVHOT-ZWKOTPCHSA-N 2 2 295.430 2.744 20 30 CFEDLP C=CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358048794 382428831 /nfs/dbraw/zinc/42/88/31/382428831.db2.gz QMXYNGMRLDDFBW-CQSZACIVSA-N 2 2 259.397 2.600 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000365641002 382428756 /nfs/dbraw/zinc/42/87/56/382428756.db2.gz UCDUFRBDSZVULD-AWEZNQCLSA-N 2 2 298.365 2.810 20 30 CFEDLP C=CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000352930803 382482535 /nfs/dbraw/zinc/48/25/35/382482535.db2.gz MINIDGXUZGZYRM-FUHWJXTLSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000352930803 382482544 /nfs/dbraw/zinc/48/25/44/382482544.db2.gz MINIDGXUZGZYRM-FUHWJXTLSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000352930803 382482549 /nfs/dbraw/zinc/48/25/49/382482549.db2.gz MINIDGXUZGZYRM-FUHWJXTLSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000352930803 382482555 /nfs/dbraw/zinc/48/25/55/382482555.db2.gz MINIDGXUZGZYRM-FUHWJXTLSA-N 2 2 286.419 2.777 20 30 CFEDLP C=C(C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000346777075 382507267 /nfs/dbraw/zinc/50/72/67/382507267.db2.gz JUEOCDPOHDKSOM-YOEHRIQHSA-N 2 2 256.393 2.772 20 30 CFEDLP C=C(C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000346777075 382507273 /nfs/dbraw/zinc/50/72/73/382507273.db2.gz JUEOCDPOHDKSOM-YOEHRIQHSA-N 2 2 256.393 2.772 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000295092735 382574258 /nfs/dbraw/zinc/57/42/58/382574258.db2.gz UYULPXZHFCUZRK-MRXNPFEDSA-N 2 2 290.382 2.584 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000295092735 382574261 /nfs/dbraw/zinc/57/42/61/382574261.db2.gz UYULPXZHFCUZRK-MRXNPFEDSA-N 2 2 290.382 2.584 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000578398183 382917299 /nfs/dbraw/zinc/91/72/99/382917299.db2.gz GBWHSHZWACKANY-RDJZCZTQSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000578398183 382917304 /nfs/dbraw/zinc/91/73/04/382917304.db2.gz GBWHSHZWACKANY-RDJZCZTQSA-N 2 2 283.419 2.933 20 30 CFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246972275 383127143 /nfs/dbraw/zinc/12/71/43/383127143.db2.gz VMOHTOQKMRRLDG-JSGCOSHPSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246972275 383127147 /nfs/dbraw/zinc/12/71/47/383127147.db2.gz VMOHTOQKMRRLDG-JSGCOSHPSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246972275 383127151 /nfs/dbraw/zinc/12/71/51/383127151.db2.gz VMOHTOQKMRRLDG-JSGCOSHPSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246972275 383127155 /nfs/dbraw/zinc/12/71/55/383127155.db2.gz VMOHTOQKMRRLDG-JSGCOSHPSA-N 2 2 254.805 2.688 20 30 CFEDLP N#CCC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000565281809 383177803 /nfs/dbraw/zinc/17/78/03/383177803.db2.gz XPTASYXDUYGNOQ-UHFFFAOYSA-N 2 2 272.377 2.717 20 30 CFEDLP CC1=CC[N@H+](CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449241708 383186319 /nfs/dbraw/zinc/18/63/19/383186319.db2.gz CEVCVKPVUUDDSU-UHFFFAOYSA-N 2 2 261.413 2.700 20 30 CFEDLP CC1=CC[N@@H+](CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449241708 383186322 /nfs/dbraw/zinc/18/63/22/383186322.db2.gz CEVCVKPVUUDDSU-UHFFFAOYSA-N 2 2 261.413 2.700 20 30 CFEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000248935072 383308995 /nfs/dbraw/zinc/30/89/95/383308995.db2.gz YFSLQXXPIGXFPS-FXUDXRNXSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000248935072 383309000 /nfs/dbraw/zinc/30/90/00/383309000.db2.gz YFSLQXXPIGXFPS-FXUDXRNXSA-N 2 2 263.429 2.779 20 30 CFEDLP N#CC1(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCC1 ZINC000450427161 383405215 /nfs/dbraw/zinc/40/52/15/383405215.db2.gz RUAYFPVCDOKRSK-AWEZNQCLSA-N 2 2 270.380 2.509 20 30 CFEDLP N#CC1(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCC1 ZINC000450427161 383405219 /nfs/dbraw/zinc/40/52/19/383405219.db2.gz RUAYFPVCDOKRSK-AWEZNQCLSA-N 2 2 270.380 2.509 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429518741 383539394 /nfs/dbraw/zinc/53/93/94/383539394.db2.gz MGHDHYWOJXKTBM-AWEZNQCLSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CC[C@H](CC)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000280981359 195056859 /nfs/dbraw/zinc/05/68/59/195056859.db2.gz KBDAALUYFKFEJA-LBPRGKRZSA-N 2 2 294.362 2.977 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000268927272 384694000 /nfs/dbraw/zinc/69/40/00/384694000.db2.gz YMVGSFRYDTXOHR-UHFFFAOYSA-N 2 2 287.382 2.661 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2csc(C)n2)CC1 ZINC000269424673 384758187 /nfs/dbraw/zinc/75/81/87/384758187.db2.gz NFEHBIAPGNVPQX-LLVKDONJSA-N 2 2 265.426 2.753 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269463110 384761325 /nfs/dbraw/zinc/76/13/25/384761325.db2.gz YMSGSUCDKGQZPJ-HUUCEWRRSA-N 2 2 275.371 2.660 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269463111 384762147 /nfs/dbraw/zinc/76/21/47/384762147.db2.gz YMSGSUCDKGQZPJ-LSDHHAIUSA-N 2 2 275.371 2.660 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000280698067 385119150 /nfs/dbraw/zinc/11/91/50/385119150.db2.gz SERQEADLVGZROI-PBHICJAKSA-N 2 2 285.391 2.714 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000301877065 393481052 /nfs/dbraw/zinc/48/10/52/393481052.db2.gz KOUBATBRAKSVOC-UHFFFAOYSA-N 2 2 297.406 2.664 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000372676686 393454081 /nfs/dbraw/zinc/45/40/81/393454081.db2.gz RDDFVIKQIFNKJD-ZUKISOHSSA-N 2 2 295.430 2.683 20 30 CFEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000372676686 393454087 /nfs/dbraw/zinc/45/40/87/393454087.db2.gz RDDFVIKQIFNKJD-ZUKISOHSSA-N 2 2 295.430 2.683 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335033550 393635178 /nfs/dbraw/zinc/63/51/78/393635178.db2.gz RBDNYTYOQXCUFW-WBVHZDCISA-N 2 2 269.392 2.667 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093644919 393802062 /nfs/dbraw/zinc/80/20/62/393802062.db2.gz UMRNUVSLAYEFKP-YPMHNXCESA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@H+]1C ZINC000093644919 393802064 /nfs/dbraw/zinc/80/20/64/393802064.db2.gz UMRNUVSLAYEFKP-YPMHNXCESA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)cs2)CC[NH+]1C ZINC000093644919 393802067 /nfs/dbraw/zinc/80/20/67/393802067.db2.gz UMRNUVSLAYEFKP-YPMHNXCESA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)CC[NH+]1C ZINC000093644919 393802071 /nfs/dbraw/zinc/80/20/71/393802071.db2.gz UMRNUVSLAYEFKP-YPMHNXCESA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353254541 394027481 /nfs/dbraw/zinc/02/74/81/394027481.db2.gz MABSXPOGUFSCOK-OCBCSQNSSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353254541 394027482 /nfs/dbraw/zinc/02/74/82/394027482.db2.gz MABSXPOGUFSCOK-OCBCSQNSSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C[N@@H+]1C1CC1 ZINC000353237753 394026501 /nfs/dbraw/zinc/02/65/01/394026501.db2.gz FTSUKXPDGFMHEY-MRAWALMUSA-N 2 2 281.403 2.760 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C[N@H+]1C1CC1 ZINC000353237753 394026507 /nfs/dbraw/zinc/02/65/07/394026507.db2.gz FTSUKXPDGFMHEY-MRAWALMUSA-N 2 2 281.403 2.760 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000277413023 394056441 /nfs/dbraw/zinc/05/64/41/394056441.db2.gz INMRLFDLOYOKEV-LBPRGKRZSA-N 2 2 263.410 2.536 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000277413023 394056444 /nfs/dbraw/zinc/05/64/44/394056444.db2.gz INMRLFDLOYOKEV-LBPRGKRZSA-N 2 2 263.410 2.536 20 30 CFEDLP C=CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282015811 394110860 /nfs/dbraw/zinc/11/08/60/394110860.db2.gz JYFZVONHBSSFAE-AWEZNQCLSA-N 2 2 259.397 2.975 20 30 CFEDLP C=CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282015811 394110864 /nfs/dbraw/zinc/11/08/64/394110864.db2.gz JYFZVONHBSSFAE-AWEZNQCLSA-N 2 2 259.397 2.975 20 30 CFEDLP C=C(C)CC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285841929 394155046 /nfs/dbraw/zinc/15/50/46/394155046.db2.gz XJLIYHHHAZRTEE-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C=C(C)CC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285841929 394155049 /nfs/dbraw/zinc/15/50/49/394155049.db2.gz XJLIYHHHAZRTEE-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C=C(C)CC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285841929 394155051 /nfs/dbraw/zinc/15/50/51/394155051.db2.gz XJLIYHHHAZRTEE-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C=C(C)CC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285841929 394155054 /nfs/dbraw/zinc/15/50/54/394155054.db2.gz XJLIYHHHAZRTEE-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000516843184 394370172 /nfs/dbraw/zinc/37/01/72/394370172.db2.gz OWZXMXRVPUQJBI-RRQGHBQHSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000516843184 394370174 /nfs/dbraw/zinc/37/01/74/394370174.db2.gz OWZXMXRVPUQJBI-RRQGHBQHSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000516843184 394370177 /nfs/dbraw/zinc/37/01/77/394370177.db2.gz OWZXMXRVPUQJBI-RRQGHBQHSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000516843184 394370179 /nfs/dbraw/zinc/37/01/79/394370179.db2.gz OWZXMXRVPUQJBI-RRQGHBQHSA-N 2 2 269.392 2.788 20 30 CFEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177170126 394382846 /nfs/dbraw/zinc/38/28/46/394382846.db2.gz PGDPPRILJKFEDM-HNNXBMFYSA-N 2 2 276.811 2.575 20 30 CFEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177170126 394382849 /nfs/dbraw/zinc/38/28/49/394382849.db2.gz PGDPPRILJKFEDM-HNNXBMFYSA-N 2 2 276.811 2.575 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000546588962 394830111 /nfs/dbraw/zinc/83/01/11/394830111.db2.gz KERPIMKQYJBBRD-BBRMVZONSA-N 2 2 280.375 2.842 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000546588962 394830114 /nfs/dbraw/zinc/83/01/14/394830114.db2.gz KERPIMKQYJBBRD-BBRMVZONSA-N 2 2 280.375 2.842 20 30 CFEDLP COc1cc(C[NH2+]CCCc2c[nH+]ccc2C)ccc1C#N ZINC000356356350 155238517 /nfs/dbraw/zinc/23/85/17/155238517.db2.gz FDIFKBDDRNNGOG-UHFFFAOYSA-N 2 2 295.386 2.993 20 30 CFEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC#Cc1ccc(F)cc1)C2 ZINC000660659067 413477393 /nfs/dbraw/zinc/47/73/93/413477393.db2.gz KCDKVDHPIHEGFI-GOSISDBHSA-N 2 2 286.394 2.595 20 30 CFEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC#Cc1ccc(F)cc1)C2 ZINC000660659067 413477401 /nfs/dbraw/zinc/47/74/01/413477401.db2.gz KCDKVDHPIHEGFI-GOSISDBHSA-N 2 2 286.394 2.595 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000660659067 413477410 /nfs/dbraw/zinc/47/74/10/413477410.db2.gz KCDKVDHPIHEGFI-GOSISDBHSA-N 2 2 286.394 2.595 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000660659067 413477418 /nfs/dbraw/zinc/47/74/18/413477418.db2.gz KCDKVDHPIHEGFI-GOSISDBHSA-N 2 2 286.394 2.595 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1COC2(CCC2)C1)C(C)C ZINC000657834935 413986713 /nfs/dbraw/zinc/98/67/13/413986713.db2.gz MUUFPHDKJSRRLO-IRXDYDNUSA-N 2 2 292.467 2.986 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000658018698 414103737 /nfs/dbraw/zinc/10/37/37/414103737.db2.gz FLEUOHPEKHSZGL-HZSPNIEDSA-N 2 2 259.397 2.992 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000658018698 414103746 /nfs/dbraw/zinc/10/37/46/414103746.db2.gz FLEUOHPEKHSZGL-HZSPNIEDSA-N 2 2 259.397 2.992 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000658026444 414110381 /nfs/dbraw/zinc/11/03/81/414110381.db2.gz UOLXHMSDSCPZPQ-BRWVUGGUSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000658026444 414110385 /nfs/dbraw/zinc/11/03/85/414110385.db2.gz UOLXHMSDSCPZPQ-BRWVUGGUSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685300 175230803 /nfs/dbraw/zinc/23/08/03/175230803.db2.gz BLQMCNXCXFINIU-HNNXBMFYSA-N 2 2 272.392 2.578 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685300 175230805 /nfs/dbraw/zinc/23/08/05/175230805.db2.gz BLQMCNXCXFINIU-HNNXBMFYSA-N 2 2 272.392 2.578 20 30 CFEDLP N#CCCCOc1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353690695 228145633 /nfs/dbraw/zinc/14/56/33/228145633.db2.gz SDESPUINKULCBH-SJLPKXTDSA-N 2 2 299.418 2.553 20 30 CFEDLP N#CCCCOc1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353690695 228145635 /nfs/dbraw/zinc/14/56/35/228145635.db2.gz SDESPUINKULCBH-SJLPKXTDSA-N 2 2 299.418 2.553 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248915370 261217183 /nfs/dbraw/zinc/21/71/83/261217183.db2.gz ZNPSRPVYZZVWBC-AZUAARDMSA-N 2 2 294.442 2.987 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248915370 261217184 /nfs/dbraw/zinc/21/71/84/261217184.db2.gz ZNPSRPVYZZVWBC-AZUAARDMSA-N 2 2 294.442 2.987 20 30 CFEDLP C(#Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248915370 261217188 /nfs/dbraw/zinc/21/71/88/261217188.db2.gz ZNPSRPVYZZVWBC-AZUAARDMSA-N 2 2 294.442 2.987 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000185711369 262067940 /nfs/dbraw/zinc/06/79/40/262067940.db2.gz WMKMDDVVYIIGMM-KGLIPLIRSA-N 2 2 268.364 2.549 20 30 CFEDLP C=CCCOCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000120870217 262239024 /nfs/dbraw/zinc/23/90/24/262239024.db2.gz JXLACUIPMOFZMH-UHFFFAOYSA-N 2 2 285.391 2.863 20 30 CFEDLP N#CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390926091 262366000 /nfs/dbraw/zinc/36/60/00/262366000.db2.gz ZKNVSUMAUFLYDJ-ALOPSCKCSA-N 2 2 269.392 2.685 20 30 CFEDLP N#CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390926091 262366001 /nfs/dbraw/zinc/36/60/01/262366001.db2.gz ZKNVSUMAUFLYDJ-ALOPSCKCSA-N 2 2 269.392 2.685 20 30 CFEDLP N#CC1(c2ccccc2)CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000299392149 263241105 /nfs/dbraw/zinc/24/11/05/263241105.db2.gz KCPGTLHYGDCOLA-UHFFFAOYSA-N 2 2 294.402 2.877 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341891565 263364118 /nfs/dbraw/zinc/36/41/18/263364118.db2.gz VGEYKMHGBKBPQZ-GJZGRUSLSA-N 2 2 285.391 2.708 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C#N)cc1F ZINC000424375108 269987930 /nfs/dbraw/zinc/98/79/30/269987930.db2.gz MFTYERORYVCOFM-COLVAYQJSA-N 2 2 261.344 2.618 20 30 CFEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370494685 267324028 /nfs/dbraw/zinc/32/40/28/267324028.db2.gz INKHZVCDUWFAPZ-JKSUJKDBSA-N 2 2 291.439 2.971 20 30 CFEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370494685 267324030 /nfs/dbraw/zinc/32/40/30/267324030.db2.gz INKHZVCDUWFAPZ-JKSUJKDBSA-N 2 2 291.439 2.971 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353380427 276174815 /nfs/dbraw/zinc/17/48/15/276174815.db2.gz BVGLDEKPTNINHG-NVXWUHKLSA-N 2 2 269.392 2.619 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353380427 276174816 /nfs/dbraw/zinc/17/48/16/276174816.db2.gz BVGLDEKPTNINHG-NVXWUHKLSA-N 2 2 269.392 2.619 20 30 CFEDLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423374012 276270827 /nfs/dbraw/zinc/27/08/27/276270827.db2.gz CDJLGROLLACFJZ-DYVFJYSZSA-N 2 2 271.408 2.913 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000217675998 278283040 /nfs/dbraw/zinc/28/30/40/278283040.db2.gz VXGBWLLABRCDHX-JQFCIGGWSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000217675998 278283041 /nfs/dbraw/zinc/28/30/41/278283041.db2.gz VXGBWLLABRCDHX-JQFCIGGWSA-N 2 2 269.392 2.836 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000563586369 328075719 /nfs/dbraw/zinc/07/57/19/328075719.db2.gz PHUFPNGWGLTPEE-UHFFFAOYSA-N 2 2 261.413 2.677 20 30 CFEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340430926 328276537 /nfs/dbraw/zinc/27/65/37/328276537.db2.gz AIDLLRNRDSLGNF-PVAVHDDUSA-N 2 2 271.408 2.961 20 30 CFEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340430926 328276539 /nfs/dbraw/zinc/27/65/39/328276539.db2.gz AIDLLRNRDSLGNF-PVAVHDDUSA-N 2 2 271.408 2.961 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000559333467 327161807 /nfs/dbraw/zinc/16/18/07/327161807.db2.gz YMOXZJQVBYQXDX-UHFFFAOYSA-N 2 2 269.392 2.544 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000245623856 329714696 /nfs/dbraw/zinc/71/46/96/329714696.db2.gz PMJNWMODLKWEEJ-GVDBMIGSSA-N 2 2 290.451 2.574 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)C(C)C ZINC000248838233 329900376 /nfs/dbraw/zinc/90/03/76/329900376.db2.gz HHXIMQRDVSSYFE-BRWVUGGUSA-N 2 2 280.456 2.700 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000379646255 330145171 /nfs/dbraw/zinc/14/51/71/330145171.db2.gz FBDAUBZLQIKOQH-ZBFHGGJFSA-N 2 2 257.381 2.543 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000379646255 330145172 /nfs/dbraw/zinc/14/51/72/330145172.db2.gz FBDAUBZLQIKOQH-ZBFHGGJFSA-N 2 2 257.381 2.543 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422982753 330162762 /nfs/dbraw/zinc/16/27/62/330162762.db2.gz XUYZDLRDNNAKBB-SJLPKXTDSA-N 3 2 293.499 2.927 20 30 CFEDLP COc1ccc([C@H]([NH2+]CCCCC#N)[C@@H]2CCC[NH2+]2)cc1 ZINC000422975855 330164871 /nfs/dbraw/zinc/16/48/71/330164871.db2.gz UGBTURWAKWDQNE-IRXDYDNUSA-N 2 2 287.407 2.772 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000442711244 330780357 /nfs/dbraw/zinc/78/03/57/330780357.db2.gz RRFDFOJKONGVEM-GVDBMIGSSA-N 2 2 275.440 2.967 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000442714893 330780457 /nfs/dbraw/zinc/78/04/57/330780457.db2.gz MATJEJOZSTYPFD-YOEHRIQHSA-N 2 2 280.375 2.713 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000449165203 330902917 /nfs/dbraw/zinc/90/29/17/330902917.db2.gz UNLUPOFTYZBVRF-JKSUJKDBSA-N 2 2 268.445 2.679 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccncc2)CC1 ZINC000453102410 331089306 /nfs/dbraw/zinc/08/93/06/331089306.db2.gz PLRZJMHNYZBNNW-MRXNPFEDSA-N 2 2 259.397 2.773 20 30 CFEDLP CC(C)(CC#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000459698683 331294903 /nfs/dbraw/zinc/29/49/03/331294903.db2.gz QYAINCAQLGPICY-UHFFFAOYSA-N 2 2 268.364 2.902 20 30 CFEDLP C#CC[N@@H+](Cc1cc[nH+]c(N)c1)[C@H]1CCc2ccccc21 ZINC000491636802 332257654 /nfs/dbraw/zinc/25/76/54/332257654.db2.gz UBVYOKINGAKHNC-KRWDZBQOSA-N 2 2 277.371 2.617 20 30 CFEDLP C#CC[N@H+](Cc1cc[nH+]c(N)c1)[C@H]1CCc2ccccc21 ZINC000491636802 332257655 /nfs/dbraw/zinc/25/76/55/332257655.db2.gz UBVYOKINGAKHNC-KRWDZBQOSA-N 2 2 277.371 2.617 20 30 CFEDLP C[N@@H+]1CCC[C@H](C[NH2+]CCC#N)[C@@H]1c1cccs1 ZINC000577216852 335324518 /nfs/dbraw/zinc/32/45/18/335324518.db2.gz VSOHZZFHPURNHJ-TZMCWYRMSA-N 2 2 263.410 2.634 20 30 CFEDLP C[N@H+]1CCC[C@H](C[NH2+]CCC#N)[C@@H]1c1cccs1 ZINC000577216852 335324519 /nfs/dbraw/zinc/32/45/19/335324519.db2.gz VSOHZZFHPURNHJ-TZMCWYRMSA-N 2 2 263.410 2.634 20 30 CFEDLP C=C(C)C[N@@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347636235 526549423 /nfs/dbraw/zinc/54/94/23/526549423.db2.gz IYABHPLPQNUTHJ-UHFFFAOYSA-N 2 2 253.415 2.603 20 30 CFEDLP C=C(C)C[N@H+](CC)Cc1ncc(C[NH+](C)C)s1 ZINC000347636235 526549427 /nfs/dbraw/zinc/54/94/27/526549427.db2.gz IYABHPLPQNUTHJ-UHFFFAOYSA-N 2 2 253.415 2.603 20 30 CFEDLP C=C(CC)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353574806 526849666 /nfs/dbraw/zinc/84/96/66/526849666.db2.gz MYDMAROJSDXCOE-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C=C(CC)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353574806 526849673 /nfs/dbraw/zinc/84/96/73/526849673.db2.gz MYDMAROJSDXCOE-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C=C(CC)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353574806 526849677 /nfs/dbraw/zinc/84/96/77/526849677.db2.gz MYDMAROJSDXCOE-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C=C(CC)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353574806 526849682 /nfs/dbraw/zinc/84/96/82/526849682.db2.gz MYDMAROJSDXCOE-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000347100531 526866183 /nfs/dbraw/zinc/86/61/83/526866183.db2.gz LFZNEFMMZQTTMF-HNNXBMFYSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC000347100531 526866185 /nfs/dbraw/zinc/86/61/85/526866185.db2.gz LFZNEFMMZQTTMF-HNNXBMFYSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000347081271 526897356 /nfs/dbraw/zinc/89/73/56/526897356.db2.gz XRYFICAFHZVXJX-RHSMWYFYSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000347081271 526897363 /nfs/dbraw/zinc/89/73/63/526897363.db2.gz XRYFICAFHZVXJX-RHSMWYFYSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000347081270 526897605 /nfs/dbraw/zinc/89/76/05/526897605.db2.gz XRYFICAFHZVXJX-PBHICJAKSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000347081270 526897612 /nfs/dbraw/zinc/89/76/12/526897612.db2.gz XRYFICAFHZVXJX-PBHICJAKSA-N 2 2 274.408 2.811 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728713181 574105666 /nfs/dbraw/zinc/10/56/66/574105666.db2.gz SOAWLLJVXYLMFP-GDBMZVCRSA-N 2 2 287.407 2.551 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728713181 574105670 /nfs/dbraw/zinc/10/56/70/574105670.db2.gz SOAWLLJVXYLMFP-GDBMZVCRSA-N 2 2 287.407 2.551 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)C[C@](C)(O)CC)CC1 ZINC000924984072 619316992 /nfs/dbraw/zinc/31/69/92/619316992.db2.gz MPHCWWAWNZOBFM-GOEBONIOSA-N 2 2 268.445 2.556 20 30 CFEDLP C[C@H]1C[N@H+](Cc2csc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC000896002011 619651760 /nfs/dbraw/zinc/65/17/60/619651760.db2.gz HTBGSPCWLNITNQ-ZDUSSCGKSA-N 2 2 298.415 2.725 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2csc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC000896002011 619651763 /nfs/dbraw/zinc/65/17/63/619651763.db2.gz HTBGSPCWLNITNQ-ZDUSSCGKSA-N 2 2 298.415 2.725 20 30 CFEDLP C#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897982744 620318378 /nfs/dbraw/zinc/31/83/78/620318378.db2.gz QPWUULIEMPDIFB-UHFFFAOYSA-N 2 2 268.404 2.774 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000924672185 620437562 /nfs/dbraw/zinc/43/75/62/620437562.db2.gz JOXUKLCBONWBEH-KGLIPLIRSA-N 2 2 251.418 2.779 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000924672185 620437563 /nfs/dbraw/zinc/43/75/63/620437563.db2.gz JOXUKLCBONWBEH-KGLIPLIRSA-N 2 2 251.418 2.779 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2NCC)CC1 ZINC000902213075 620994420 /nfs/dbraw/zinc/99/44/20/620994420.db2.gz MRBAKRUFCLVSKR-UHFFFAOYSA-N 2 2 273.424 2.858 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc(C#N)c1 ZINC000902439962 621080603 /nfs/dbraw/zinc/08/06/03/621080603.db2.gz VVMPWVNZACHQCX-NXOUGTEYSA-N 2 2 277.371 2.834 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000902483539 621110567 /nfs/dbraw/zinc/11/05/67/621110567.db2.gz RHPILWVCEYNAME-ZBFHGGJFSA-N 2 2 287.407 2.772 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cccc(C#N)c1 ZINC000902484549 621111080 /nfs/dbraw/zinc/11/10/80/621111080.db2.gz WGZGGDNYTKWCGL-XJKSGUPXSA-N 2 2 257.381 2.741 20 30 CFEDLP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@]1(C)CCCCO1 ZINC000903022306 621233325 /nfs/dbraw/zinc/23/33/25/621233325.db2.gz HDIXFKOTVCMYCW-HOTGVXAUSA-N 2 2 280.456 2.964 20 30 CFEDLP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@@]1(C)CCCCO1 ZINC000903022307 621233448 /nfs/dbraw/zinc/23/34/48/621233448.db2.gz HDIXFKOTVCMYCW-HZPDHXFCSA-N 2 2 280.456 2.964 20 30 CFEDLP C[NH+](C)CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cccnc1 ZINC000903379169 621355486 /nfs/dbraw/zinc/35/54/86/621355486.db2.gz GBEDORVCPJKDFD-PVAVHDDUSA-N 2 2 286.423 2.746 20 30 CFEDLP N#CC1(CCCC[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CCC1 ZINC000903761499 621436110 /nfs/dbraw/zinc/43/61/10/621436110.db2.gz UWPHKPHNYNHMAT-MRXNPFEDSA-N 2 2 261.413 2.678 20 30 CFEDLP N#CC1(CCCC[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CCC1 ZINC000903761499 621436112 /nfs/dbraw/zinc/43/61/12/621436112.db2.gz UWPHKPHNYNHMAT-MRXNPFEDSA-N 2 2 261.413 2.678 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000820809736 622762134 /nfs/dbraw/zinc/76/21/34/622762134.db2.gz HJWJTCXQBYWENP-WBVHZDCISA-N 2 2 280.456 2.558 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCCCC1 ZINC000823683703 623376341 /nfs/dbraw/zinc/37/63/41/623376341.db2.gz ITKOBYNZHGURKZ-FHERZECASA-N 2 2 263.429 2.923 20 30 CFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCc2ccccc2)cc1 ZINC000767936328 627296287 /nfs/dbraw/zinc/29/62/87/627296287.db2.gz PLSSKTGEGHGAPR-UHFFFAOYSA-N 2 2 297.402 2.628 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000769945197 627489832 /nfs/dbraw/zinc/48/98/32/627489832.db2.gz RKRYJDCCYZAMOF-GJZGRUSLSA-N 2 2 266.348 2.654 20 30 CFEDLP C#CCCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784582093 628828993 /nfs/dbraw/zinc/82/89/93/628828993.db2.gz CRXGTGAOJGALKY-UHFFFAOYSA-N 2 2 259.378 2.827 20 30 CFEDLP CCOc1ccc(O)c(/C=[NH+]\C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000846755456 632787073 /nfs/dbraw/zinc/78/70/73/632787073.db2.gz AZXPLMYIEPRSDT-CDWGSEQTSA-N 2 2 276.380 2.550 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000863540408 637688623 /nfs/dbraw/zinc/68/86/23/637688623.db2.gz ABWCCYUSIAYFNB-PBHICJAKSA-N 2 2 284.403 2.634 20 30 CFEDLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(C#N)c1O ZINC000866213818 638771761 /nfs/dbraw/zinc/77/17/61/638771761.db2.gz ZQPPJCXMEQAFPI-GFCCVEGCSA-N 2 2 275.396 2.502 20 30 CFEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(C#N)c1O ZINC000866250007 638779893 /nfs/dbraw/zinc/77/98/93/638779893.db2.gz SAIIBWZIQPCUQB-CYBMUJFWSA-N 2 2 299.418 2.931 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1cccc(C#N)c1 ZINC000873236861 642088128 /nfs/dbraw/zinc/08/81/28/642088128.db2.gz JSOBYMFPXIGOSE-CJNGLKHVSA-N 2 2 271.408 2.987 20 30 CFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCC(C)C)c1ccco1 ZINC000303890434 651006612 /nfs/dbraw/zinc/00/66/12/651006612.db2.gz QCZZLOQBVBKKFV-CQSZACIVSA-N 2 2 294.443 2.613 20 30 CFEDLP CCCCCCCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000134155631 646291454 /nfs/dbraw/zinc/29/14/54/646291454.db2.gz GWXUVEGZFGOASJ-GJZGRUSLSA-N 2 2 256.434 2.704 20 30 CFEDLP CCCCCCCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000134155856 646291667 /nfs/dbraw/zinc/29/16/67/646291667.db2.gz GWXUVEGZFGOASJ-CABCVRRESA-N 2 2 256.434 2.704 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3cccnc32)CC1 ZINC000886524006 647027866 /nfs/dbraw/zinc/02/78/66/647027866.db2.gz AMRJPOFMZCIOAY-INIZCTEOSA-N 2 2 271.408 2.699 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608703 648238065 /nfs/dbraw/zinc/23/80/65/648238065.db2.gz HZBGMEJYBPMDNS-ZBFHGGJFSA-N 3 2 279.472 2.523 20 30 CFEDLP N#CCc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000925710316 648290829 /nfs/dbraw/zinc/29/08/29/648290829.db2.gz WHPUHCNINYNDCR-MRXNPFEDSA-N 2 2 269.392 2.517 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000695787369 776011618 /nfs/dbraw/zinc/01/16/18/776011618.db2.gz MGZHPFJXJHDXNM-ZIAGYGMSSA-N 2 2 251.418 2.779 20 30 CFEDLP N#Cc1ccc2c(c1)C[N@@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232012150 777411287 /nfs/dbraw/zinc/41/12/87/777411287.db2.gz UBGVFDABNDPOGW-UHFFFAOYSA-N 2 2 288.354 2.993 20 30 CFEDLP N#Cc1ccc2c(c1)C[N@H+](Cc1cc3c[nH+]ccc3[nH]1)CC2 ZINC001232012150 777411288 /nfs/dbraw/zinc/41/12/88/777411288.db2.gz UBGVFDABNDPOGW-UHFFFAOYSA-N 2 2 288.354 2.993 20 30 CFEDLP C[C@]1(C#N)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002750 777566701 /nfs/dbraw/zinc/56/67/01/777566701.db2.gz WVQGGLJDRNNLNY-FCLJQHQZSA-N 2 2 273.424 2.627 20 30 CFEDLP C[C@]1(C#N)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002750 777566706 /nfs/dbraw/zinc/56/67/06/777566706.db2.gz WVQGGLJDRNNLNY-FCLJQHQZSA-N 2 2 273.424 2.627 20 30 CFEDLP C[C@]1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002750 777566711 /nfs/dbraw/zinc/56/67/11/777566711.db2.gz WVQGGLJDRNNLNY-FCLJQHQZSA-N 2 2 273.424 2.627 20 30 CFEDLP C[C@]1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002750 777566715 /nfs/dbraw/zinc/56/67/15/777566715.db2.gz WVQGGLJDRNNLNY-FCLJQHQZSA-N 2 2 273.424 2.627 20 30 CFEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001232845114 777691875 /nfs/dbraw/zinc/69/18/75/777691875.db2.gz OBAJLQRSKKXKEA-CYBMUJFWSA-N 2 2 299.399 2.977 20 30 CFEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232845114 777691877 /nfs/dbraw/zinc/69/18/77/777691877.db2.gz OBAJLQRSKKXKEA-CYBMUJFWSA-N 2 2 299.399 2.977 20 30 CFEDLP N#Cc1ccc2c(C[N@@H+]3CCCC[C@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235118817 778389052 /nfs/dbraw/zinc/38/90/52/778389052.db2.gz HJRGBSNKZJTAOX-GOSISDBHSA-N 2 2 294.402 2.758 20 30 CFEDLP N#Cc1ccc2c(C[N@H+]3CCCC[C@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235118817 778389058 /nfs/dbraw/zinc/38/90/58/778389058.db2.gz HJRGBSNKZJTAOX-GOSISDBHSA-N 2 2 294.402 2.758 20 30 CFEDLP C=CCCCCCCC[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927430 778612433 /nfs/dbraw/zinc/61/24/33/778612433.db2.gz FYCGUOYVYWOTOB-UHFFFAOYSA-N 2 2 280.456 2.966 20 30 CFEDLP C=CCCCCCCC[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927430 778612439 /nfs/dbraw/zinc/61/24/39/778612439.db2.gz FYCGUOYVYWOTOB-UHFFFAOYSA-N 2 2 280.456 2.966 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236005356 778651234 /nfs/dbraw/zinc/65/12/34/778651234.db2.gz LHXWSEQRNCPTID-INIZCTEOSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1ccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236005356 778651237 /nfs/dbraw/zinc/65/12/37/778651237.db2.gz LHXWSEQRNCPTID-INIZCTEOSA-N 2 2 274.408 2.825 20 30 CFEDLP N#Cc1ccc2c(c1)C[N@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168371045 778678121 /nfs/dbraw/zinc/67/81/21/778678121.db2.gz CDANPEGRFKGMGW-UHFFFAOYSA-N 2 2 295.430 2.791 20 30 CFEDLP N#Cc1ccc2c(c1)C[N@@H+](C1CC[NH+](CC3CC3)CC1)CC2 ZINC001168371045 778678122 /nfs/dbraw/zinc/67/81/22/778678122.db2.gz CDANPEGRFKGMGW-UHFFFAOYSA-N 2 2 295.430 2.791 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218033 778742936 /nfs/dbraw/zinc/74/29/36/778742936.db2.gz RCAKIYYBCBVUKG-CVEARBPZSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1ccccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218033 778742938 /nfs/dbraw/zinc/74/29/38/778742938.db2.gz RCAKIYYBCBVUKG-CVEARBPZSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236423738 778818394 /nfs/dbraw/zinc/81/83/94/778818394.db2.gz PMNPUOSRKSSXIZ-JKSUJKDBSA-N 2 2 268.445 2.687 20 30 CFEDLP C=CCCCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236423738 778818399 /nfs/dbraw/zinc/81/83/99/778818399.db2.gz PMNPUOSRKSSXIZ-JKSUJKDBSA-N 2 2 268.445 2.687 20 30 CFEDLP C#CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236469684 778838778 /nfs/dbraw/zinc/83/87/78/778838778.db2.gz VDPHKACSSXWVHA-QGZVFWFLSA-N 2 2 286.419 2.661 20 30 CFEDLP C#CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236469684 778838787 /nfs/dbraw/zinc/83/87/87/778838787.db2.gz VDPHKACSSXWVHA-QGZVFWFLSA-N 2 2 286.419 2.661 20 30 CFEDLP C#Cc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237156029 779030715 /nfs/dbraw/zinc/03/07/15/779030715.db2.gz MVDSGYBZEIKWBC-SFHVURJKSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237156029 779030716 /nfs/dbraw/zinc/03/07/16/779030716.db2.gz MVDSGYBZEIKWBC-SFHVURJKSA-N 2 2 268.404 2.774 20 30 CFEDLP CCc1cc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1C#N ZINC001238767793 779385966 /nfs/dbraw/zinc/38/59/66/779385966.db2.gz CNNORNJWBYXQGL-QZTJIDSGSA-N 2 2 283.419 2.504 20 30 CFEDLP CCc1cc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)ccc1C#N ZINC001238767793 779385972 /nfs/dbraw/zinc/38/59/72/779385972.db2.gz CNNORNJWBYXQGL-QZTJIDSGSA-N 2 2 283.419 2.504 20 30 CFEDLP CCc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1C#N ZINC001238767680 779825929 /nfs/dbraw/zinc/82/59/29/779825929.db2.gz XZPXTCYHDHYYOI-UHFFFAOYSA-N 2 2 271.408 2.647 20 30 CFEDLP CCc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1C#N ZINC001238767680 779825935 /nfs/dbraw/zinc/82/59/35/779825935.db2.gz XZPXTCYHDHYYOI-UHFFFAOYSA-N 2 2 271.408 2.647 20 30 CFEDLP N#Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001240160897 779979145 /nfs/dbraw/zinc/97/91/45/779979145.db2.gz QNIWCKAHRPJBFU-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001240160897 779979150 /nfs/dbraw/zinc/97/91/50/779979150.db2.gz QNIWCKAHRPJBFU-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP CN(C)/C=[NH+]/c1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C#N ZINC001242026701 781240309 /nfs/dbraw/zinc/24/03/09/781240309.db2.gz VMQQPMLGRSYSGJ-PPDJXAKQSA-N 2 2 280.375 2.687 20 30 CFEDLP C#Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001242295641 781375117 /nfs/dbraw/zinc/37/51/17/781375117.db2.gz FJEKNZNLPUTHAG-LJQANCHMSA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1 ZINC001242295641 781375130 /nfs/dbraw/zinc/37/51/30/781375130.db2.gz FJEKNZNLPUTHAG-LJQANCHMSA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242296247 781375823 /nfs/dbraw/zinc/37/58/23/781375823.db2.gz YPFZHUAIHHXRSR-SFHVURJKSA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242296247 781375835 /nfs/dbraw/zinc/37/58/35/781375835.db2.gz YPFZHUAIHHXRSR-SFHVURJKSA-N 2 2 276.383 2.868 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000594521729 349441031 /nfs/dbraw/zinc/44/10/31/349441031.db2.gz UAFJCPIWYZPPFV-OAHLLOKOSA-N 2 2 294.402 2.858 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000594521729 349441034 /nfs/dbraw/zinc/44/10/34/349441034.db2.gz UAFJCPIWYZPPFV-OAHLLOKOSA-N 2 2 294.402 2.858 20 30 CFEDLP C[C@@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)Cn1cc[nH+]c1 ZINC000594918239 349505830 /nfs/dbraw/zinc/50/58/30/349505830.db2.gz PXWQIIJLOBEQLF-HNNXBMFYSA-N 2 2 294.402 2.864 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2nccn2C)C2CC2)CC1 ZINC000127666863 187324801 /nfs/dbraw/zinc/32/48/01/187324801.db2.gz KBWSGZJSCVOTOF-MRXNPFEDSA-N 2 2 288.439 2.501 20 30 CFEDLP N#CC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCCC1 ZINC000594981567 349537599 /nfs/dbraw/zinc/53/75/99/349537599.db2.gz RMCURRGJTJZFTB-UHFFFAOYSA-N 2 2 295.390 2.831 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000594981740 349537988 /nfs/dbraw/zinc/53/79/88/349537988.db2.gz UBKXLOBUBWQMLU-CABCVRRESA-N 2 2 261.413 2.677 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000594981740 349537992 /nfs/dbraw/zinc/53/79/92/349537992.db2.gz UBKXLOBUBWQMLU-CABCVRRESA-N 2 2 261.413 2.677 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081501 349576653 /nfs/dbraw/zinc/57/66/53/349576653.db2.gz RMSCCUNEXKSWPJ-KFWWJZLASA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081501 349576656 /nfs/dbraw/zinc/57/66/56/349576656.db2.gz RMSCCUNEXKSWPJ-KFWWJZLASA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000595087803 349577516 /nfs/dbraw/zinc/57/75/16/349577516.db2.gz DTKDWBKXJIMJSG-HRCADAONSA-N 2 2 263.429 2.779 20 30 CFEDLP N#Cc1ccc(CC[N@@H+]2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000595894477 349763589 /nfs/dbraw/zinc/76/35/89/349763589.db2.gz YIGWNXNVSOLBHK-LJQANCHMSA-N 2 2 291.398 2.659 20 30 CFEDLP N#Cc1ccc(CC[N@H+]2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000595894477 349763593 /nfs/dbraw/zinc/76/35/93/349763593.db2.gz YIGWNXNVSOLBHK-LJQANCHMSA-N 2 2 291.398 2.659 20 30 CFEDLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(C#N)cc1F ZINC000596648598 349968028 /nfs/dbraw/zinc/96/80/28/349968028.db2.gz SFBYDPMNMCJNNC-NSHDSACASA-N 2 2 261.344 2.619 20 30 CFEDLP Cc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2)[NH+](C)C)cc1 ZINC000066243779 346750974 /nfs/dbraw/zinc/75/09/74/346750974.db2.gz ABFUFXXJIISXCZ-KRWDZBQOSA-N 2 2 296.418 2.834 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000091509302 347591232 /nfs/dbraw/zinc/59/12/32/347591232.db2.gz RBQYKDFSXQMUTO-JKSUJKDBSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000091509302 347591235 /nfs/dbraw/zinc/59/12/35/347591235.db2.gz RBQYKDFSXQMUTO-JKSUJKDBSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000091576392 347592624 /nfs/dbraw/zinc/59/26/24/347592624.db2.gz CBJZANHDDOPSER-DLBZAZTESA-N 2 2 280.456 2.775 20 30 CFEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000091576392 347592627 /nfs/dbraw/zinc/59/26/27/347592627.db2.gz CBJZANHDDOPSER-DLBZAZTESA-N 2 2 280.456 2.775 20 30 CFEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000091576395 347592927 /nfs/dbraw/zinc/59/29/27/347592927.db2.gz CBJZANHDDOPSER-IAGOWNOFSA-N 2 2 280.456 2.775 20 30 CFEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000091576395 347592929 /nfs/dbraw/zinc/59/29/29/347592929.db2.gz CBJZANHDDOPSER-IAGOWNOFSA-N 2 2 280.456 2.775 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092746980 347644047 /nfs/dbraw/zinc/64/40/47/347644047.db2.gz KRBJPADTIBVOKM-GFCCVEGCSA-N 2 2 263.360 2.522 20 30 CFEDLP CC(C)(CCC#N)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866344 347686727 /nfs/dbraw/zinc/68/67/27/347686727.db2.gz VAAQKNAVEGNVLG-HNNXBMFYSA-N 2 2 273.380 2.865 20 30 CFEDLP CC(C)(CCC#N)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093866344 347686730 /nfs/dbraw/zinc/68/67/30/347686730.db2.gz VAAQKNAVEGNVLG-HNNXBMFYSA-N 2 2 273.380 2.865 20 30 CFEDLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc(C#N)cc3F)n2c1 ZINC000156581428 347995410 /nfs/dbraw/zinc/99/54/10/347995410.db2.gz FENYSWPGDHROBI-UHFFFAOYSA-N 2 2 294.333 2.943 20 30 CFEDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](C#N)CCC#N ZINC000591769546 349042782 /nfs/dbraw/zinc/04/27/82/349042782.db2.gz QBWYMJJHJDZVGD-HOTGVXAUSA-N 2 2 276.428 2.530 20 30 CFEDLP C[NH+](C)C1(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000591348718 349010989 /nfs/dbraw/zinc/01/09/89/349010989.db2.gz NORRPAQENSXDBG-MRXNPFEDSA-N 2 2 269.392 2.619 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000592290861 349104734 /nfs/dbraw/zinc/10/47/34/349104734.db2.gz HEMDTMMVFYSAQN-UHFFFAOYSA-N 2 2 298.434 2.703 20 30 CFEDLP N#Cc1ccc(C2([NH2+]CCCn3cc[nH+]c3)CCC2)cc1 ZINC000594032916 349358681 /nfs/dbraw/zinc/35/86/81/349358681.db2.gz DPHYXAJWDCWTMY-UHFFFAOYSA-N 2 2 280.375 2.814 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000600725950 350602294 /nfs/dbraw/zinc/60/22/94/350602294.db2.gz KVVZZDBDROSKCQ-ZIAGYGMSSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000600725950 350602296 /nfs/dbraw/zinc/60/22/96/350602296.db2.gz KVVZZDBDROSKCQ-ZIAGYGMSSA-N 2 2 297.324 2.517 20 30 CFEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000600712785 350600109 /nfs/dbraw/zinc/60/01/09/350600109.db2.gz YVMBOHOHYNLEIK-GVDBMIGSSA-N 2 2 269.392 2.666 20 30 CFEDLP N#CCC[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601970067 350821807 /nfs/dbraw/zinc/82/18/07/350821807.db2.gz WWUWGVCCHCTKOT-KRWDZBQOSA-N 2 2 271.408 2.934 20 30 CFEDLP N#CCC[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601970067 350821809 /nfs/dbraw/zinc/82/18/09/350821809.db2.gz WWUWGVCCHCTKOT-KRWDZBQOSA-N 2 2 271.408 2.934 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000602589025 350937091 /nfs/dbraw/zinc/93/70/91/350937091.db2.gz XUZJHOKKKLELAP-HOCLYGCPSA-N 2 2 259.397 2.819 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000602704916 350989393 /nfs/dbraw/zinc/98/93/93/350989393.db2.gz HXKRCRAKXONAIM-GJZGRUSLSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000602704916 350989395 /nfs/dbraw/zinc/98/93/95/350989395.db2.gz HXKRCRAKXONAIM-GJZGRUSLSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(C#N)CC1 ZINC000602719479 350999083 /nfs/dbraw/zinc/99/90/83/350999083.db2.gz YTACJCIYSBEXSN-FHERZECASA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC000603431595 351163175 /nfs/dbraw/zinc/16/31/75/351163175.db2.gz FQVZCOJRLWNRHO-XJKCOSOUSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC000603431595 351163177 /nfs/dbraw/zinc/16/31/77/351163177.db2.gz FQVZCOJRLWNRHO-XJKCOSOUSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000123461819 187093256 /nfs/dbraw/zinc/09/32/56/187093256.db2.gz VQMBRVGVQDORTP-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000123461819 187093257 /nfs/dbraw/zinc/09/32/57/187093257.db2.gz VQMBRVGVQDORTP-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)CC[NH+]1C ZINC000123461819 187093258 /nfs/dbraw/zinc/09/32/58/187093258.db2.gz VQMBRVGVQDORTP-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)CC[NH+]1C ZINC000123461819 187093259 /nfs/dbraw/zinc/09/32/59/187093259.db2.gz VQMBRVGVQDORTP-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000618565394 352810463 /nfs/dbraw/zinc/81/04/63/352810463.db2.gz WCWDMEYCEQIOKK-JKSUJKDBSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000618565394 352810466 /nfs/dbraw/zinc/81/04/66/352810466.db2.gz WCWDMEYCEQIOKK-JKSUJKDBSA-N 2 2 257.381 2.693 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cnn(C)c2)CC1 ZINC000152940172 188054413 /nfs/dbraw/zinc/05/44/13/188054413.db2.gz KQZVZXYUJKNKDT-INIZCTEOSA-N 2 2 276.428 2.501 20 30 CFEDLP C[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271836478 191356902 /nfs/dbraw/zinc/35/69/02/191356902.db2.gz FZDHMTFVHOXSOF-WMLDXEAASA-N 2 2 283.419 2.768 20 30 CFEDLP C=CC[NH+]1CCC(Nc2[nH+]c(C(C)C)nc3[nH]ccc32)CC1 ZINC000631109439 355296291 /nfs/dbraw/zinc/29/62/91/355296291.db2.gz RHDPLPZARHNQPC-UHFFFAOYSA-N 2 2 299.422 2.566 20 30 CFEDLP C=CCCC(C)(C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000631220115 355357191 /nfs/dbraw/zinc/35/71/91/355357191.db2.gz QJFUVVMRZCMEKQ-UHFFFAOYSA-N 2 2 264.417 2.568 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000294924389 199252638 /nfs/dbraw/zinc/25/26/38/199252638.db2.gz HACKIFQFDSXBBB-LBPRGKRZSA-N 2 2 266.335 2.571 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000294924389 199252639 /nfs/dbraw/zinc/25/26/39/199252639.db2.gz HACKIFQFDSXBBB-LBPRGKRZSA-N 2 2 266.335 2.571 20 30 CFEDLP N#Cc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000177591015 189058941 /nfs/dbraw/zinc/05/89/41/189058941.db2.gz RNYSAYYUJXSRHH-UHFFFAOYSA-N 2 2 266.348 2.545 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000177911313 189078949 /nfs/dbraw/zinc/07/89/49/189078949.db2.gz VLEYNRSBHLVSQX-GFCCVEGCSA-N 2 2 263.360 2.522 20 30 CFEDLP C=CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1 ZINC000667517786 541247836 /nfs/dbraw/zinc/24/78/36/541247836.db2.gz GBIDCCLJPVWHSR-UHFFFAOYSA-N 2 2 255.365 2.917 20 30 CFEDLP C=CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1 ZINC000667517786 541247839 /nfs/dbraw/zinc/24/78/39/541247839.db2.gz GBIDCCLJPVWHSR-UHFFFAOYSA-N 2 2 255.365 2.917 20 30 CFEDLP Cc1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)ccc1C#N ZINC000443971168 241101040 /nfs/dbraw/zinc/10/10/40/241101040.db2.gz UEAMLCGKJGWQGM-UHFFFAOYSA-N 2 2 290.370 2.847 20 30 CFEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(C#N)cs1 ZINC000093660183 375288922 /nfs/dbraw/zinc/28/89/22/375288922.db2.gz MOKPLKMMRKXJTM-CQSZACIVSA-N 2 2 277.437 2.926 20 30 CFEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(C#N)cs1 ZINC000093660183 375288929 /nfs/dbraw/zinc/28/89/29/375288929.db2.gz MOKPLKMMRKXJTM-CQSZACIVSA-N 2 2 277.437 2.926 20 30 CFEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(C#N)cs1 ZINC000093660183 375288932 /nfs/dbraw/zinc/28/89/32/375288932.db2.gz MOKPLKMMRKXJTM-CQSZACIVSA-N 2 2 277.437 2.926 20 30 CFEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(C#N)cs1 ZINC000093660183 375288938 /nfs/dbraw/zinc/28/89/38/375288938.db2.gz MOKPLKMMRKXJTM-CQSZACIVSA-N 2 2 277.437 2.926 20 30 CFEDLP C[C@H](C#N)C[NH+](C)Cc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000264206568 383708979 /nfs/dbraw/zinc/70/89/79/383708979.db2.gz KUQPPKAOSFZEFO-HZPDHXFCSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@H](C#N)C[NH+](C)Cc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000264206568 383708986 /nfs/dbraw/zinc/70/89/86/383708986.db2.gz KUQPPKAOSFZEFO-HZPDHXFCSA-N 2 2 298.434 2.870 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000129110083 377385490 /nfs/dbraw/zinc/38/54/90/377385490.db2.gz UPJVTLAGQOIFKK-RDJZCZTQSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000129110083 377385496 /nfs/dbraw/zinc/38/54/96/377385496.db2.gz UPJVTLAGQOIFKK-RDJZCZTQSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000129110083 377385503 /nfs/dbraw/zinc/38/55/03/377385503.db2.gz UPJVTLAGQOIFKK-RDJZCZTQSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000129110083 377385510 /nfs/dbraw/zinc/38/55/10/377385510.db2.gz UPJVTLAGQOIFKK-RDJZCZTQSA-N 2 2 287.382 2.613 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)C(C)C ZINC000152067251 378389546 /nfs/dbraw/zinc/38/95/46/378389546.db2.gz IJTCHJNOKVOOEY-GVDBMIGSSA-N 2 2 280.456 2.700 20 30 CFEDLP CC[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1[nH]cc[nH+]1 ZINC000328769875 378422390 /nfs/dbraw/zinc/42/23/90/378422390.db2.gz QUXXZYNGLHRJQG-ZDUSSCGKSA-N 2 2 276.384 2.692 20 30 CFEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CCO1 ZINC000331215053 378652496 /nfs/dbraw/zinc/65/24/96/378652496.db2.gz NRGSFBRTJZTENG-ZFWWWQNUSA-N 2 2 290.411 2.560 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1F ZINC000335445908 379311033 /nfs/dbraw/zinc/31/10/33/379311033.db2.gz MNLRYIRFHVKSBR-CQSZACIVSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1F ZINC000335445908 379311043 /nfs/dbraw/zinc/31/10/43/379311043.db2.gz MNLRYIRFHVKSBR-CQSZACIVSA-N 2 2 284.338 2.800 20 30 CFEDLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(C#N)o1)C(C)(C)C ZINC000174403136 379878383 /nfs/dbraw/zinc/87/83/83/379878383.db2.gz DVHDLLYGUFSTDK-AWEZNQCLSA-N 2 2 263.385 2.607 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000268139288 190380082 /nfs/dbraw/zinc/38/00/82/190380082.db2.gz SDFPOPRUSHEFSR-BEFAXECRSA-N 2 2 298.430 2.661 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000268139288 190380083 /nfs/dbraw/zinc/38/00/83/190380083.db2.gz SDFPOPRUSHEFSR-BEFAXECRSA-N 2 2 298.430 2.661 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000178054451 380405187 /nfs/dbraw/zinc/40/51/87/380405187.db2.gz NMRFGGUBZWSYLF-RDJZCZTQSA-N 2 2 256.393 2.652 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000178054451 380405196 /nfs/dbraw/zinc/40/51/96/380405196.db2.gz NMRFGGUBZWSYLF-RDJZCZTQSA-N 2 2 256.393 2.652 20 30 CFEDLP C[N@H+](Cc1cccc(C#N)c1)Cc1cccc2[nH+]ccn21 ZINC000179681968 380570274 /nfs/dbraw/zinc/57/02/74/380570274.db2.gz JOJIMLPUHSAULM-UHFFFAOYSA-N 2 2 276.343 2.838 20 30 CFEDLP C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2[nH+]ccn21 ZINC000179681968 380570282 /nfs/dbraw/zinc/57/02/82/380570282.db2.gz JOJIMLPUHSAULM-UHFFFAOYSA-N 2 2 276.343 2.838 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368099212 380922092 /nfs/dbraw/zinc/92/20/92/380922092.db2.gz DZHSVQOXIGDCLZ-DZGCQCFKSA-N 2 2 295.386 2.630 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368099212 380922101 /nfs/dbraw/zinc/92/21/01/380922101.db2.gz DZHSVQOXIGDCLZ-DZGCQCFKSA-N 2 2 295.386 2.630 20 30 CFEDLP C[NH+](C)C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000411160750 381013730 /nfs/dbraw/zinc/01/37/30/381013730.db2.gz COLFRUGCECVNSN-UHFFFAOYSA-N 2 2 263.429 2.877 20 30 CFEDLP C[C@H](CCC#N)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000411393770 381026971 /nfs/dbraw/zinc/02/69/71/381026971.db2.gz ASQJAHZBMHICKM-FMKPAKJESA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000411393770 381026975 /nfs/dbraw/zinc/02/69/75/381026975.db2.gz ASQJAHZBMHICKM-FMKPAKJESA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000411393770 381026979 /nfs/dbraw/zinc/02/69/79/381026979.db2.gz ASQJAHZBMHICKM-FMKPAKJESA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000411393770 381026985 /nfs/dbraw/zinc/02/69/85/381026985.db2.gz ASQJAHZBMHICKM-FMKPAKJESA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411585256 381034560 /nfs/dbraw/zinc/03/45/60/381034560.db2.gz SERXJEQJRNTRGC-PVAVHDDUSA-N 2 2 286.423 2.698 20 30 CFEDLP C[C@H](CCC#N)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411585256 381034564 /nfs/dbraw/zinc/03/45/64/381034564.db2.gz SERXJEQJRNTRGC-PVAVHDDUSA-N 2 2 286.423 2.698 20 30 CFEDLP C[C@H](CCC#N)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000411585256 381034571 /nfs/dbraw/zinc/03/45/71/381034571.db2.gz SERXJEQJRNTRGC-PVAVHDDUSA-N 2 2 286.423 2.698 20 30 CFEDLP C[C@H](CCC#N)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411585256 381034575 /nfs/dbraw/zinc/03/45/75/381034575.db2.gz SERXJEQJRNTRGC-PVAVHDDUSA-N 2 2 286.423 2.698 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414131889 381561794 /nfs/dbraw/zinc/56/17/94/381561794.db2.gz YMKAIYAAAPNGAT-CQSZACIVSA-N 2 2 288.439 2.520 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185383659 381619595 /nfs/dbraw/zinc/61/95/95/381619595.db2.gz ORQYLSZSEZWCFX-LBPRGKRZSA-N 2 2 278.371 2.832 20 30 CFEDLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C#N)cc1 ZINC000371503866 381647042 /nfs/dbraw/zinc/64/70/42/381647042.db2.gz BOCLNSVITIGKEK-AWEZNQCLSA-N 2 2 294.402 2.984 20 30 CFEDLP N#CCc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000343617761 381846106 /nfs/dbraw/zinc/84/61/06/381846106.db2.gz SXYDYXJGBCUFCD-SFHVURJKSA-N 2 2 293.370 2.801 20 30 CFEDLP N#CCc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000343617761 381846113 /nfs/dbraw/zinc/84/61/13/381846113.db2.gz SXYDYXJGBCUFCD-SFHVURJKSA-N 2 2 293.370 2.801 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000361666174 381856031 /nfs/dbraw/zinc/85/60/31/381856031.db2.gz CPFAPRNCWZCDCP-CVEARBPZSA-N 2 2 299.422 2.914 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000361666174 381856037 /nfs/dbraw/zinc/85/60/37/381856037.db2.gz CPFAPRNCWZCDCP-CVEARBPZSA-N 2 2 299.422 2.914 20 30 CFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292853090 381865304 /nfs/dbraw/zinc/86/53/04/381865304.db2.gz BZGNEGIVKNOJOK-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292853090 381865310 /nfs/dbraw/zinc/86/53/10/381865310.db2.gz BZGNEGIVKNOJOK-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292853090 381865316 /nfs/dbraw/zinc/86/53/16/381865316.db2.gz BZGNEGIVKNOJOK-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292853090 381865322 /nfs/dbraw/zinc/86/53/22/381865322.db2.gz BZGNEGIVKNOJOK-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000374402059 382045854 /nfs/dbraw/zinc/04/58/54/382045854.db2.gz SBGQLMUYBZEPGV-NEWSRXKRSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000374402059 382045864 /nfs/dbraw/zinc/04/58/64/382045864.db2.gz SBGQLMUYBZEPGV-NEWSRXKRSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000374402059 382045871 /nfs/dbraw/zinc/04/58/71/382045871.db2.gz SBGQLMUYBZEPGV-NEWSRXKRSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000374402059 382045879 /nfs/dbraw/zinc/04/58/79/382045879.db2.gz SBGQLMUYBZEPGV-NEWSRXKRSA-N 2 2 298.405 2.593 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000344161623 382170590 /nfs/dbraw/zinc/17/05/90/382170590.db2.gz GULDYMMSIFRIQL-IIYDPXPESA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000344161623 382170600 /nfs/dbraw/zinc/17/06/00/382170600.db2.gz GULDYMMSIFRIQL-IIYDPXPESA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC#N ZINC000363582752 382239523 /nfs/dbraw/zinc/23/95/23/382239523.db2.gz KHMDNXAKFXLKHR-NVXWUHKLSA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC#N ZINC000363582752 382239527 /nfs/dbraw/zinc/23/95/27/382239527.db2.gz KHMDNXAKFXLKHR-NVXWUHKLSA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCC#N ZINC000363582752 382239531 /nfs/dbraw/zinc/23/95/31/382239531.db2.gz KHMDNXAKFXLKHR-NVXWUHKLSA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCC#N ZINC000363582752 382239534 /nfs/dbraw/zinc/23/95/34/382239534.db2.gz KHMDNXAKFXLKHR-NVXWUHKLSA-N 2 2 271.408 2.742 20 30 CFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC000293719331 382249345 /nfs/dbraw/zinc/24/93/45/382249345.db2.gz TWJOPYGVCHZACR-HNNXBMFYSA-N 2 2 275.421 2.537 20 30 CFEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC000293719331 382249352 /nfs/dbraw/zinc/24/93/52/382249352.db2.gz TWJOPYGVCHZACR-HNNXBMFYSA-N 2 2 275.421 2.537 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC000293719331 382249360 /nfs/dbraw/zinc/24/93/60/382249360.db2.gz TWJOPYGVCHZACR-HNNXBMFYSA-N 2 2 275.421 2.537 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC000293719331 382249367 /nfs/dbraw/zinc/24/93/67/382249367.db2.gz TWJOPYGVCHZACR-HNNXBMFYSA-N 2 2 275.421 2.537 20 30 CFEDLP C=CCOc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000358146121 382468914 /nfs/dbraw/zinc/46/89/14/382468914.db2.gz WOYBTGPKQPCEDQ-UHFFFAOYSA-N 2 2 286.419 2.993 20 30 CFEDLP C=CCOc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000358146121 382468919 /nfs/dbraw/zinc/46/89/19/382468919.db2.gz WOYBTGPKQPCEDQ-UHFFFAOYSA-N 2 2 286.419 2.993 20 30 CFEDLP C=CCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352929300 382483451 /nfs/dbraw/zinc/48/34/51/382483451.db2.gz GCCVSMDGJXDUDJ-RDJZCZTQSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000352929300 382483453 /nfs/dbraw/zinc/48/34/53/382483453.db2.gz GCCVSMDGJXDUDJ-RDJZCZTQSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000352929300 382483458 /nfs/dbraw/zinc/48/34/58/382483458.db2.gz GCCVSMDGJXDUDJ-RDJZCZTQSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000352929300 382483463 /nfs/dbraw/zinc/48/34/63/382483463.db2.gz GCCVSMDGJXDUDJ-RDJZCZTQSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000320646658 382538523 /nfs/dbraw/zinc/53/85/23/382538523.db2.gz OCIMNWXFBQOGFJ-JQHSSLGASA-N 2 2 288.435 2.566 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000320646658 382538526 /nfs/dbraw/zinc/53/85/26/382538526.db2.gz OCIMNWXFBQOGFJ-JQHSSLGASA-N 2 2 288.435 2.566 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353748877 382624761 /nfs/dbraw/zinc/62/47/61/382624761.db2.gz SLUNNFREJKZMLT-STQMWFEESA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353748877 382624763 /nfs/dbraw/zinc/62/47/63/382624763.db2.gz SLUNNFREJKZMLT-STQMWFEESA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353748877 382624765 /nfs/dbraw/zinc/62/47/65/382624765.db2.gz SLUNNFREJKZMLT-STQMWFEESA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353748877 382624768 /nfs/dbraw/zinc/62/47/68/382624768.db2.gz SLUNNFREJKZMLT-STQMWFEESA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)cs2)C[C@H]1C ZINC000353750941 382626438 /nfs/dbraw/zinc/62/64/38/382626438.db2.gz PBFDXXIVVIOBCQ-OCCSQVGLSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)cs2)C[C@H]1C ZINC000353750941 382626440 /nfs/dbraw/zinc/62/64/40/382626440.db2.gz PBFDXXIVVIOBCQ-OCCSQVGLSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)cs2)C[C@H]1C ZINC000353750941 382626442 /nfs/dbraw/zinc/62/64/42/382626442.db2.gz PBFDXXIVVIOBCQ-OCCSQVGLSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C[C@H]1C ZINC000353750941 382626445 /nfs/dbraw/zinc/62/64/45/382626445.db2.gz PBFDXXIVVIOBCQ-OCCSQVGLSA-N 2 2 277.437 2.924 20 30 CFEDLP C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)[N@H+](C)Cc1ccccc1 ZINC000190993594 382687614 /nfs/dbraw/zinc/68/76/14/382687614.db2.gz YSCSYZQMNCPUFB-OAHLLOKOSA-N 2 2 296.418 2.507 20 30 CFEDLP C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000190993594 382687615 /nfs/dbraw/zinc/68/76/15/382687615.db2.gz YSCSYZQMNCPUFB-OAHLLOKOSA-N 2 2 296.418 2.507 20 30 CFEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337380434 382812591 /nfs/dbraw/zinc/81/25/91/382812591.db2.gz CBJZANHDDOPSER-IRXDYDNUSA-N 2 2 280.456 2.775 20 30 CFEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337380434 382812592 /nfs/dbraw/zinc/81/25/92/382812592.db2.gz CBJZANHDDOPSER-IRXDYDNUSA-N 2 2 280.456 2.775 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2nc(CCC)cs2)CC1 ZINC000494067616 382910230 /nfs/dbraw/zinc/91/02/30/382910230.db2.gz BETGHKBCLFGKMH-UHFFFAOYSA-N 2 2 279.453 2.836 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442648970 382941173 /nfs/dbraw/zinc/94/11/73/382941173.db2.gz MTJOPVZNRYXASS-UONOGXRCSA-N 2 2 268.364 2.627 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000494451699 382913724 /nfs/dbraw/zinc/91/37/24/382913724.db2.gz GTMGNKFOUKMDTJ-OAHLLOKOSA-N 2 2 283.375 2.553 20 30 CFEDLP C#CCCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000246250687 383069571 /nfs/dbraw/zinc/06/95/71/383069571.db2.gz PKEUXZALOQEDKM-NVXWUHKLSA-N 2 2 256.393 2.825 20 30 CFEDLP C#CCCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000246250687 383069575 /nfs/dbraw/zinc/06/95/75/383069575.db2.gz PKEUXZALOQEDKM-NVXWUHKLSA-N 2 2 256.393 2.825 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1n1cc[nH+]c1 ZINC000246911364 383119853 /nfs/dbraw/zinc/11/98/53/383119853.db2.gz UREMXVMKLOSTAE-SWLSCSKDSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1n1cc[nH+]c1 ZINC000246911364 383119857 /nfs/dbraw/zinc/11/98/57/383119857.db2.gz UREMXVMKLOSTAE-SWLSCSKDSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc(C#N)c1 ZINC000423396661 383081933 /nfs/dbraw/zinc/08/19/33/383081933.db2.gz UCPHDQILOSCBBP-XJKSGUPXSA-N 2 2 271.408 2.987 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CNCc1[nH]c(C)c(C)[nH+]1)C(C)C ZINC000566499053 383188247 /nfs/dbraw/zinc/18/82/47/383188247.db2.gz LPWVAWOIWXYBCC-MRXNPFEDSA-N 2 2 290.455 2.815 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(C)C ZINC000449078921 383165132 /nfs/dbraw/zinc/16/51/32/383165132.db2.gz WVGVLHZLITWNHL-QBPKDAKJSA-N 2 2 280.456 2.841 20 30 CFEDLP Cc1cc(NCCCC[N@H+]2CCCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000425201381 383338957 /nfs/dbraw/zinc/33/89/57/383338957.db2.gz AAODUFNDHGVDTC-HNNXBMFYSA-N 2 2 286.423 2.750 20 30 CFEDLP Cc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)c(C#N)c[nH+]1 ZINC000425201381 383338961 /nfs/dbraw/zinc/33/89/61/383338961.db2.gz AAODUFNDHGVDTC-HNNXBMFYSA-N 2 2 286.423 2.750 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000248911692 383307735 /nfs/dbraw/zinc/30/77/35/383307735.db2.gz YDZKTOAMDDDMQG-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000248911692 383307741 /nfs/dbraw/zinc/30/77/41/383307741.db2.gz YDZKTOAMDDDMQG-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C=C(CC)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449734901 383363625 /nfs/dbraw/zinc/36/36/25/383363625.db2.gz PHAZGQHIURDWAK-UHFFFAOYSA-N 2 2 259.397 2.602 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000570765901 383633023 /nfs/dbraw/zinc/63/30/23/383633023.db2.gz ONIJZKZITCTMAX-SJORKVTESA-N 2 2 294.402 2.756 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000437572600 383905827 /nfs/dbraw/zinc/90/58/27/383905827.db2.gz WFRVYRMACXFUNR-CRAIPNDOSA-N 2 2 288.410 2.982 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000437572600 383905832 /nfs/dbraw/zinc/90/58/32/383905832.db2.gz WFRVYRMACXFUNR-CRAIPNDOSA-N 2 2 288.410 2.982 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000437572600 383905842 /nfs/dbraw/zinc/90/58/42/383905842.db2.gz WFRVYRMACXFUNR-CRAIPNDOSA-N 2 2 288.410 2.982 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000437572600 383905853 /nfs/dbraw/zinc/90/58/53/383905853.db2.gz WFRVYRMACXFUNR-CRAIPNDOSA-N 2 2 288.410 2.982 20 30 CFEDLP C[NH+](C)C1CC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000574823569 384151427 /nfs/dbraw/zinc/15/14/27/384151427.db2.gz UREFDGIUYJRSDW-UHFFFAOYSA-N 2 2 297.324 2.759 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000277331679 384269140 /nfs/dbraw/zinc/26/91/40/384269140.db2.gz VOSXSMLAYHUBRS-HNNXBMFYSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000277331679 384269144 /nfs/dbraw/zinc/26/91/44/384269144.db2.gz VOSXSMLAYHUBRS-HNNXBMFYSA-N 2 2 275.371 2.613 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638524420 384721764 /nfs/dbraw/zinc/72/17/64/384721764.db2.gz NWEDUWHRYSCZQD-UHFFFAOYSA-N 2 2 274.408 2.744 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000289286710 197284534 /nfs/dbraw/zinc/28/45/34/197284534.db2.gz PGCUIYYHUYCFRS-UHFFFAOYSA-N 3 2 287.451 2.953 20 30 CFEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000280698075 385119189 /nfs/dbraw/zinc/11/91/89/385119189.db2.gz SERQEADLVGZROI-WMLDXEAASA-N 2 2 285.391 2.714 20 30 CFEDLP C=CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(OC)cc1 ZINC000270692678 385194065 /nfs/dbraw/zinc/19/40/65/385194065.db2.gz YEJMBENCJCBDQN-UHFFFAOYSA-N 2 2 285.391 2.888 20 30 CFEDLP C=CC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(OC)cc1 ZINC000270692678 385194074 /nfs/dbraw/zinc/19/40/74/385194074.db2.gz YEJMBENCJCBDQN-UHFFFAOYSA-N 2 2 285.391 2.888 20 30 CFEDLP CCC(CC)C[N@@H+](CCC#N)CCn1cc[nH+]c1C ZINC000270843228 385244933 /nfs/dbraw/zinc/24/49/33/385244933.db2.gz GHCRLJJRYZZQJG-UHFFFAOYSA-N 2 2 262.401 2.843 20 30 CFEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1 ZINC000271032804 385312113 /nfs/dbraw/zinc/31/21/13/385312113.db2.gz HSOWMAREJHDIKQ-UHFFFAOYSA-N 2 2 277.437 2.924 20 30 CFEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1 ZINC000271032804 385312119 /nfs/dbraw/zinc/31/21/19/385312119.db2.gz HSOWMAREJHDIKQ-UHFFFAOYSA-N 2 2 277.437 2.924 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271978764 385417131 /nfs/dbraw/zinc/41/71/31/385417131.db2.gz WIYMAFQHZSYZBZ-CYBMUJFWSA-N 2 2 287.382 2.998 20 30 CFEDLP C=CCC[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283999519 385522160 /nfs/dbraw/zinc/52/21/60/385522160.db2.gz GQRKOJJKXCTTNF-GOSISDBHSA-N 2 2 288.435 2.785 20 30 CFEDLP C=CCC[N@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283999519 385522165 /nfs/dbraw/zinc/52/21/65/385522165.db2.gz GQRKOJJKXCTTNF-GOSISDBHSA-N 2 2 288.435 2.785 20 30 CFEDLP C=CCC[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283999519 385522168 /nfs/dbraw/zinc/52/21/68/385522168.db2.gz GQRKOJJKXCTTNF-GOSISDBHSA-N 2 2 288.435 2.785 20 30 CFEDLP C=CCC[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283999519 385522172 /nfs/dbraw/zinc/52/21/72/385522172.db2.gz GQRKOJJKXCTTNF-GOSISDBHSA-N 2 2 288.435 2.785 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000273094244 385672123 /nfs/dbraw/zinc/67/21/23/385672123.db2.gz UDRAYLKZUFXCQA-HOCLYGCPSA-N 2 2 257.381 2.543 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000273094244 385672130 /nfs/dbraw/zinc/67/21/30/385672130.db2.gz UDRAYLKZUFXCQA-HOCLYGCPSA-N 2 2 257.381 2.543 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C#N)cc1C ZINC000186253756 393542101 /nfs/dbraw/zinc/54/21/01/393542101.db2.gz XPEAZHGISBIZCH-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C#N)cc1C ZINC000186253756 393542108 /nfs/dbraw/zinc/54/21/08/393542108.db2.gz XPEAZHGISBIZCH-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1C ZINC000186253756 393542114 /nfs/dbraw/zinc/54/21/14/393542114.db2.gz XPEAZHGISBIZCH-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1C ZINC000186253756 393542120 /nfs/dbraw/zinc/54/21/20/393542120.db2.gz XPEAZHGISBIZCH-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C2 ZINC000376492561 393520992 /nfs/dbraw/zinc/52/09/92/393520992.db2.gz QXUIMWWMCXITKJ-CJNGLKHVSA-N 2 2 280.375 2.729 20 30 CFEDLP CCc1cccc(NC(=[NH2+])NCc2cn3c([nH+]2)CCCC3)c1 ZINC000261977722 393951806 /nfs/dbraw/zinc/95/18/06/393951806.db2.gz GUSVTECRVIZOPV-UHFFFAOYSA-N 2 2 297.406 2.709 20 30 CFEDLP C#Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000368030763 394264914 /nfs/dbraw/zinc/26/49/14/394264914.db2.gz PHKUPUMXXZSVQN-UHFFFAOYSA-N 2 2 265.360 2.771 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449518685 394281089 /nfs/dbraw/zinc/28/10/89/394281089.db2.gz KHYNRIJWDCKZLY-HPBDAGMYSA-N 2 2 286.419 2.755 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449518685 394281092 /nfs/dbraw/zinc/28/10/92/394281092.db2.gz KHYNRIJWDCKZLY-HPBDAGMYSA-N 2 2 286.419 2.755 20 30 CFEDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1F ZINC000423507149 394285454 /nfs/dbraw/zinc/28/54/54/394285454.db2.gz PRQPCRMGOSVMAI-BDJLRTHQSA-N 2 2 275.371 2.865 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000174261214 394378240 /nfs/dbraw/zinc/37/82/40/394378240.db2.gz DEDHDIUCSAXJCJ-UHFFFAOYSA-N 2 2 270.380 2.796 20 30 CFEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660446729 413322195 /nfs/dbraw/zinc/32/21/95/413322195.db2.gz NGOOUMZLADJSGR-GOSISDBHSA-N 2 2 290.451 2.766 20 30 CFEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000660446729 413322203 /nfs/dbraw/zinc/32/22/03/413322203.db2.gz NGOOUMZLADJSGR-GOSISDBHSA-N 2 2 290.451 2.766 20 30 CFEDLP C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000660446729 413322212 /nfs/dbraw/zinc/32/22/12/413322212.db2.gz NGOOUMZLADJSGR-GOSISDBHSA-N 2 2 290.451 2.766 20 30 CFEDLP C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C(C)C ZINC000660446729 413322216 /nfs/dbraw/zinc/32/22/16/413322216.db2.gz NGOOUMZLADJSGR-GOSISDBHSA-N 2 2 290.451 2.766 20 30 CFEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)CCC2 ZINC000344506148 162056632 /nfs/dbraw/zinc/05/66/32/162056632.db2.gz AKSJCFFEOZUHTQ-OAHLLOKOSA-N 2 2 298.365 2.870 20 30 CFEDLP C=CCC1([NH2+]Cc2c[nH+]c3ccc(C)cn23)CCOCC1 ZINC000657633825 413813425 /nfs/dbraw/zinc/81/34/25/413813425.db2.gz YRRZPEBLMLMAGY-UHFFFAOYSA-N 2 2 285.391 2.858 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000657869417 414016348 /nfs/dbraw/zinc/01/63/48/414016348.db2.gz WBGZVVXSHFJHBC-IXDOHACOSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000657869417 414016355 /nfs/dbraw/zinc/01/63/55/414016355.db2.gz WBGZVVXSHFJHBC-IXDOHACOSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658059726 414144518 /nfs/dbraw/zinc/14/45/18/414144518.db2.gz KGVOVMJFARXYAK-KBAYOESNSA-N 2 2 292.467 2.964 20 30 CFEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000658294200 414352990 /nfs/dbraw/zinc/35/29/90/414352990.db2.gz MEXOPTDASUAZQH-SJORKVTESA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293644 414354158 /nfs/dbraw/zinc/35/41/58/414354158.db2.gz IHOHIWNRVUOYCP-DOTOQJQBSA-N 2 2 280.456 2.964 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000331665800 228117641 /nfs/dbraw/zinc/11/76/41/228117641.db2.gz OJSWOHFIQORMIN-YOEHRIQHSA-N 2 2 280.375 2.963 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCCC#N ZINC000088701806 260234554 /nfs/dbraw/zinc/23/45/54/260234554.db2.gz PJPWQVKUOYWWHD-WBVHZDCISA-N 2 2 271.408 2.790 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCCC#N ZINC000088701806 260234555 /nfs/dbraw/zinc/23/45/55/260234555.db2.gz PJPWQVKUOYWWHD-WBVHZDCISA-N 2 2 271.408 2.790 20 30 CFEDLP C[C@@H]1C[NH+](CCC[NH2+]C2CCC(C)(C#N)CC2)C[C@@H](C)O1 ZINC000449074242 261149731 /nfs/dbraw/zinc/14/97/31/261149731.db2.gz UHNQYIYSEQLSFD-NUWOQIAWSA-N 2 2 293.455 2.548 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000414762437 263040376 /nfs/dbraw/zinc/04/03/76/263040376.db2.gz ALEQCLDNPDEQSG-GOEBONIOSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000414762437 263040377 /nfs/dbraw/zinc/04/03/77/263040377.db2.gz ALEQCLDNPDEQSG-GOEBONIOSA-N 2 2 274.408 2.811 20 30 CFEDLP C[N@@H+]1CC[C@@H]([NH2+]CCCSCC#N)[C@@H]1c1ccccc1 ZINC000289459962 263110395 /nfs/dbraw/zinc/11/03/95/263110395.db2.gz VTNSWJOGQHBAJM-CVEARBPZSA-N 2 2 289.448 2.668 20 30 CFEDLP C[N@H+]1CC[C@@H]([NH2+]CCCSCC#N)[C@@H]1c1ccccc1 ZINC000289459962 263110396 /nfs/dbraw/zinc/11/03/96/263110396.db2.gz VTNSWJOGQHBAJM-CVEARBPZSA-N 2 2 289.448 2.668 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000289474182 263110549 /nfs/dbraw/zinc/11/05/49/263110549.db2.gz XIDKPXDBSZWUCR-OAHLLOKOSA-N 2 2 298.390 2.677 20 30 CFEDLP C#CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000378458714 269987911 /nfs/dbraw/zinc/98/79/11/269987911.db2.gz YAOLBQATFCYSOW-HNNXBMFYSA-N 2 2 281.403 2.524 20 30 CFEDLP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000362727376 267039691 /nfs/dbraw/zinc/03/96/91/267039691.db2.gz RRUQNGDNKZXOPB-DLBZAZTESA-N 2 2 280.375 2.655 20 30 CFEDLP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000362727376 267039694 /nfs/dbraw/zinc/03/96/94/267039694.db2.gz RRUQNGDNKZXOPB-DLBZAZTESA-N 2 2 280.375 2.655 20 30 CFEDLP C#Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000368578858 267187617 /nfs/dbraw/zinc/18/76/17/267187617.db2.gz QSVYCSITTLXOFR-UHFFFAOYSA-N 2 2 291.398 2.822 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C#N)cc1 ZINC000530217662 267195398 /nfs/dbraw/zinc/19/53/98/267195398.db2.gz UXVNUXDGCGRRBT-HZPDHXFCSA-N 2 2 269.392 2.884 20 30 CFEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000369032595 267218164 /nfs/dbraw/zinc/21/81/64/267218164.db2.gz NABYOBOSKDIRGP-CQSZACIVSA-N 2 2 260.385 2.947 20 30 CFEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000369032595 267218167 /nfs/dbraw/zinc/21/81/67/267218167.db2.gz NABYOBOSKDIRGP-CQSZACIVSA-N 2 2 260.385 2.947 20 30 CFEDLP C=CCOCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000376843598 268023513 /nfs/dbraw/zinc/02/35/13/268023513.db2.gz GYHGXVLVSBHEML-RDJZCZTQSA-N 2 2 274.408 2.614 20 30 CFEDLP C=CCOCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000376843598 268023514 /nfs/dbraw/zinc/02/35/14/268023514.db2.gz GYHGXVLVSBHEML-RDJZCZTQSA-N 2 2 274.408 2.614 20 30 CFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527810111 268233259 /nfs/dbraw/zinc/23/32/59/268233259.db2.gz UVSLTZIKRNZWOQ-KRWDZBQOSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527810111 268233262 /nfs/dbraw/zinc/23/32/62/268233262.db2.gz UVSLTZIKRNZWOQ-KRWDZBQOSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cc(F)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336040244 274919649 /nfs/dbraw/zinc/91/96/49/274919649.db2.gz ULWXSTDMTKHPRB-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(OC)cc32)CC1 ZINC000177907082 275427641 /nfs/dbraw/zinc/42/76/41/275427641.db2.gz UYQIEFVEWRZCFC-SFHVURJKSA-N 2 2 286.419 2.923 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(C#N)cc1 ZINC000423359085 288072902 /nfs/dbraw/zinc/07/29/02/288072902.db2.gz KCHYFGCLKOBVCV-UHOFOFEASA-N 2 2 257.381 2.597 20 30 CFEDLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1C ZINC000565242722 290288142 /nfs/dbraw/zinc/28/81/42/290288142.db2.gz RFCQUNMVSQXWEQ-QGZVFWFLSA-N 2 2 280.375 2.767 20 30 CFEDLP CN(C)c1[nH+]cc(C[NH2+][C@H](CCC#N)c2ccccc2)n1C ZINC000414358206 328155098 /nfs/dbraw/zinc/15/50/98/328155098.db2.gz GCQAOJLJWULPLJ-MRXNPFEDSA-N 2 2 297.406 2.621 20 30 CFEDLP C#Cc1ccc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc1 ZINC000377551013 329018665 /nfs/dbraw/zinc/01/86/65/329018665.db2.gz UFUXLRAXQPCAMC-UHFFFAOYSA-N 2 2 288.354 2.538 20 30 CFEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185820417 329329989 /nfs/dbraw/zinc/32/99/89/329329989.db2.gz NASVCNGCKHEXHE-ZNMIVQPWSA-N 2 2 251.418 2.635 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422838401 330157130 /nfs/dbraw/zinc/15/71/30/330157130.db2.gz XDEDMJWLVURVII-OKZBNKHCSA-N 3 2 293.499 2.663 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422861258 330157962 /nfs/dbraw/zinc/15/79/62/330157962.db2.gz NUAMIHKBQXCYLA-NVXWUHKLSA-N 3 2 279.472 2.537 20 30 CFEDLP C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422997346 330163542 /nfs/dbraw/zinc/16/35/42/330163542.db2.gz NQLGJMDOTROCDK-FVQBIDKESA-N 2 2 257.381 2.762 20 30 CFEDLP C=C(C)[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423050434 330167462 /nfs/dbraw/zinc/16/74/62/330167462.db2.gz LGYFDNHKLPPIGW-ZUZCIYMTSA-N 2 2 266.335 2.780 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424187219 330319719 /nfs/dbraw/zinc/31/97/19/330319719.db2.gz AMNKNDYBRFNQBO-BZZMCLGOSA-N 2 2 283.419 2.789 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424187219 330319720 /nfs/dbraw/zinc/31/97/20/330319720.db2.gz AMNKNDYBRFNQBO-BZZMCLGOSA-N 2 2 283.419 2.789 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000442720899 330780589 /nfs/dbraw/zinc/78/05/89/330780589.db2.gz SFMHEKJJLSTEOY-HUUCEWRRSA-N 2 2 293.480 2.630 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000442782244 330782614 /nfs/dbraw/zinc/78/26/14/330782614.db2.gz KUDGMQRRWGJQIE-ZFWWWQNUSA-N 2 2 266.348 2.654 20 30 CFEDLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)CC1(C#N)CCC1 ZINC000450797303 331000131 /nfs/dbraw/zinc/00/01/31/331000131.db2.gz XBIURPVIJUUMET-IRXDYDNUSA-N 2 2 298.434 2.700 20 30 CFEDLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)CC1(C#N)CCC1 ZINC000450797303 331000132 /nfs/dbraw/zinc/00/01/32/331000132.db2.gz XBIURPVIJUUMET-IRXDYDNUSA-N 2 2 298.434 2.700 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)CC1(C#N)CCC1 ZINC000450797303 331000133 /nfs/dbraw/zinc/00/01/33/331000133.db2.gz XBIURPVIJUUMET-IRXDYDNUSA-N 2 2 298.434 2.700 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)CC1(C#N)CCC1 ZINC000450797303 331000134 /nfs/dbraw/zinc/00/01/34/331000134.db2.gz XBIURPVIJUUMET-IRXDYDNUSA-N 2 2 298.434 2.700 20 30 CFEDLP CC(C)(CC#N)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000459730419 331296379 /nfs/dbraw/zinc/29/63/79/331296379.db2.gz MCPNNSMGXGKWQG-UHFFFAOYSA-N 2 2 291.361 2.933 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3C#N)CC[C@H]21 ZINC000336452880 523833215 /nfs/dbraw/zinc/83/32/15/523833215.db2.gz ARENJFCRISNJPN-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3C#N)CC[C@H]21 ZINC000336452880 523833220 /nfs/dbraw/zinc/83/32/20/523833220.db2.gz ARENJFCRISNJPN-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3C#N)CC[C@H]21 ZINC000336452880 523833223 /nfs/dbraw/zinc/83/32/23/523833223.db2.gz ARENJFCRISNJPN-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3C#N)CC[C@H]21 ZINC000336452880 523833226 /nfs/dbraw/zinc/83/32/26/523833226.db2.gz ARENJFCRISNJPN-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(F)cn2)CC1 ZINC000352685003 526454889 /nfs/dbraw/zinc/45/48/89/526454889.db2.gz QSWZAROOFZBVER-OAHLLOKOSA-N 2 2 277.387 2.912 20 30 CFEDLP N#Cc1ccc(C2=CC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000361987397 526605425 /nfs/dbraw/zinc/60/54/25/526605425.db2.gz RWGONIOBFGVNPI-UHFFFAOYSA-N 2 2 292.386 2.934 20 30 CFEDLP N#Cc1ccc(C2=CC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000361987397 526605430 /nfs/dbraw/zinc/60/54/30/526605430.db2.gz RWGONIOBFGVNPI-UHFFFAOYSA-N 2 2 292.386 2.934 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000347067963 526867347 /nfs/dbraw/zinc/86/73/47/526867347.db2.gz NFHUWVGQGRTVIO-WMLDXEAASA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cc1 ZINC000347067963 526867352 /nfs/dbraw/zinc/86/73/52/526867352.db2.gz NFHUWVGQGRTVIO-WMLDXEAASA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](CCC)[C@H]2CC[NH2+]C2)c1 ZINC000347205600 526898326 /nfs/dbraw/zinc/89/83/26/526898326.db2.gz LZGHTTQRZZVEEL-INIZCTEOSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1cccc(C[N@H+](CCC)[C@H]2CC[NH2+]C2)c1 ZINC000347205600 526898332 /nfs/dbraw/zinc/89/83/32/526898332.db2.gz LZGHTTQRZZVEEL-INIZCTEOSA-N 2 2 274.408 2.825 20 30 CFEDLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423300214 528823914 /nfs/dbraw/zinc/82/39/14/528823914.db2.gz RFJZXSBYFSLPLX-RISCZKNCSA-N 2 2 263.360 2.865 20 30 CFEDLP Cc1cccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000747838876 574215260 /nfs/dbraw/zinc/21/52/60/574215260.db2.gz PTEVAHFJWMYHGN-UHFFFAOYSA-N 2 2 297.402 2.894 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756557409 574247063 /nfs/dbraw/zinc/24/70/63/574247063.db2.gz SLCQJSYPMUEBKR-NSHDSACASA-N 2 2 296.361 2.971 20 30 CFEDLP C[NH+](C)CC1CCC(/[NH+]=C\c2cccc(O)c2O)CC1 ZINC000749583212 574300660 /nfs/dbraw/zinc/30/06/60/574300660.db2.gz VQFFJKQERFKROD-YVLHZVERSA-N 2 2 276.380 2.637 20 30 CFEDLP C=CCCC[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000735491834 574327238 /nfs/dbraw/zinc/32/72/38/574327238.db2.gz BQPBTYWLRIOYNJ-SFHVURJKSA-N 2 2 288.435 2.569 20 30 CFEDLP C=CCCC[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000735491834 574327241 /nfs/dbraw/zinc/32/72/41/574327241.db2.gz BQPBTYWLRIOYNJ-SFHVURJKSA-N 2 2 288.435 2.569 20 30 CFEDLP CC1(C)[C@@H]([NH2+]CC2(C#N)CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925704207 618958349 /nfs/dbraw/zinc/95/83/49/618958349.db2.gz CKDZRYCAXRNRPN-ILXRZTDVSA-N 2 2 275.440 2.827 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc3c2OCO3)CC1 ZINC000924984598 619317594 /nfs/dbraw/zinc/31/75/94/619317594.db2.gz WEEQPYMCOKNWOC-CYBMUJFWSA-N 2 2 288.391 2.716 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925173210 620005059 /nfs/dbraw/zinc/00/50/59/620005059.db2.gz XKABAQZVFQFOIO-CHWSQXEVSA-N 2 2 260.385 2.678 20 30 CFEDLP C#CCOc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897981414 620317986 /nfs/dbraw/zinc/31/79/86/620317986.db2.gz MADQJOVPNQXBTQ-UHFFFAOYSA-N 2 2 298.430 2.805 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466806 621099547 /nfs/dbraw/zinc/09/95/47/621099547.db2.gz MZOFAUCKSCJREV-NRSFXHEJSA-N 2 2 281.403 2.808 20 30 CFEDLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902779137 621171580 /nfs/dbraw/zinc/17/15/80/621171580.db2.gz OGWYEHQDZDEKGB-AWEZNQCLSA-N 2 2 286.423 2.868 20 30 CFEDLP C=CC[C@@H](CO)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902894172 621201242 /nfs/dbraw/zinc/20/12/42/621201242.db2.gz JHLPXLVLRINTNU-HUUCEWRRSA-N 2 2 285.391 2.708 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768517860 627348504 /nfs/dbraw/zinc/34/85/04/627348504.db2.gz PEKZOYAXWIPEJJ-WMZOPIPTSA-N 2 2 270.420 2.900 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768517860 627348506 /nfs/dbraw/zinc/34/85/06/627348506.db2.gz PEKZOYAXWIPEJJ-WMZOPIPTSA-N 2 2 270.420 2.900 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000775573607 628041404 /nfs/dbraw/zinc/04/14/04/628041404.db2.gz IDVGWEDBNXNIGZ-MSOLQXFVSA-N 2 2 290.451 2.554 20 30 CFEDLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776163770 628109539 /nfs/dbraw/zinc/10/95/39/628109539.db2.gz WEUSNHMCSAKTGG-HUUCEWRRSA-N 2 2 287.407 2.724 20 30 CFEDLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776163770 628109543 /nfs/dbraw/zinc/10/95/43/628109543.db2.gz WEUSNHMCSAKTGG-HUUCEWRRSA-N 2 2 287.407 2.724 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779062946 628348811 /nfs/dbraw/zinc/34/88/11/628348811.db2.gz WUTQLYZNMYONNN-GOEBONIOSA-N 2 2 295.386 2.561 20 30 CFEDLP Cc1cc(C(N)=[NH+]OCCC[NH+]2CCCCC2)ccc1F ZINC000808251772 630971632 /nfs/dbraw/zinc/97/16/32/630971632.db2.gz DWIKNPRWYWCZDK-UHFFFAOYSA-N 2 2 293.386 2.647 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846144301 632645844 /nfs/dbraw/zinc/64/58/44/632645844.db2.gz IQMRAJOWPGYXMW-ZDUSSCGKSA-N 2 2 290.407 2.702 20 30 CFEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000817916638 632732993 /nfs/dbraw/zinc/73/29/93/632732993.db2.gz ADNNZBOLLYZADD-JLJPHGGASA-N 2 2 287.407 2.598 20 30 CFEDLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000848574533 633294014 /nfs/dbraw/zinc/29/40/14/633294014.db2.gz FJPSFJNAOPZELP-DLBZAZTESA-N 2 2 299.418 2.673 20 30 CFEDLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000848574533 633294016 /nfs/dbraw/zinc/29/40/16/633294016.db2.gz FJPSFJNAOPZELP-DLBZAZTESA-N 2 2 299.418 2.673 20 30 CFEDLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000859213020 636506577 /nfs/dbraw/zinc/50/65/77/636506577.db2.gz QKHBOZSCMCEFOR-UHFFFAOYSA-N 2 2 294.402 2.647 20 30 CFEDLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000859213020 636506587 /nfs/dbraw/zinc/50/65/87/636506587.db2.gz QKHBOZSCMCEFOR-UHFFFAOYSA-N 2 2 294.402 2.647 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnc(F)c2C)CC1 ZINC000862276184 637308268 /nfs/dbraw/zinc/30/82/68/637308268.db2.gz DNHKHQPMYRTIJC-UHFFFAOYSA-N 2 2 277.387 2.659 20 30 CFEDLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1O ZINC000866239175 638777378 /nfs/dbraw/zinc/77/73/78/638777378.db2.gz RJTHMAXNYLKKMX-CYBMUJFWSA-N 2 2 299.418 2.789 20 30 CFEDLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866259011 638781989 /nfs/dbraw/zinc/78/19/89/638781989.db2.gz FGYBJLNVFYPVSI-STQMWFEESA-N 2 2 298.390 2.756 20 30 CFEDLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866259010 638782048 /nfs/dbraw/zinc/78/20/48/638782048.db2.gz FGYBJLNVFYPVSI-QWHCGFSZSA-N 2 2 298.390 2.756 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872032968 641563627 /nfs/dbraw/zinc/56/36/27/641563627.db2.gz DEEZEXRPVUHQBG-HZPDHXFCSA-N 2 2 280.456 2.820 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872035716 641566996 /nfs/dbraw/zinc/56/69/96/641566996.db2.gz YIRSWGBTJMHHON-INIZCTEOSA-N 2 2 278.440 2.718 20 30 CFEDLP C#C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513508 643320332 /nfs/dbraw/zinc/32/03/32/643320332.db2.gz AKJLAVQBRNTZFR-QILLFSRXSA-N 2 2 268.404 2.966 20 30 CFEDLP C#C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513508 643320335 /nfs/dbraw/zinc/32/03/35/643320335.db2.gz AKJLAVQBRNTZFR-QILLFSRXSA-N 2 2 268.404 2.966 20 30 CFEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207560 644581917 /nfs/dbraw/zinc/58/19/17/644581917.db2.gz HUTTYCHOKIZFCN-MRXNPFEDSA-N 2 2 293.455 2.549 20 30 CFEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207560 644581922 /nfs/dbraw/zinc/58/19/22/644581922.db2.gz HUTTYCHOKIZFCN-MRXNPFEDSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259874 644616830 /nfs/dbraw/zinc/61/68/30/644616830.db2.gz KMCGHBZIXVGRLX-OAHLLOKOSA-N 2 2 292.386 2.664 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259874 644616840 /nfs/dbraw/zinc/61/68/40/644616840.db2.gz KMCGHBZIXVGRLX-OAHLLOKOSA-N 2 2 292.386 2.664 20 30 CFEDLP N#CCC1(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000880568788 644769356 /nfs/dbraw/zinc/76/93/56/644769356.db2.gz CRJZLGJMPCKIRC-INIZCTEOSA-N 2 2 280.375 2.908 20 30 CFEDLP Cc1[nH]c(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)[nH+]c1C ZINC000886669600 647101148 /nfs/dbraw/zinc/10/11/48/647101148.db2.gz AZZOAPCKPMCPNZ-CQSZACIVSA-N 2 2 285.395 2.650 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925620029 648242348 /nfs/dbraw/zinc/24/23/48/648242348.db2.gz SLSWKUJCUUJNOL-GDBMZVCRSA-N 2 2 287.407 2.598 20 30 CFEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000925620030 648242396 /nfs/dbraw/zinc/24/23/96/648242396.db2.gz SLSWKUJCUUJNOL-GOEBONIOSA-N 2 2 287.407 2.598 20 30 CFEDLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000925620446 648243908 /nfs/dbraw/zinc/24/39/08/648243908.db2.gz GSFXUTMNTPLDHE-CJNGLKHVSA-N 2 2 289.448 2.522 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926490607 648507445 /nfs/dbraw/zinc/50/74/45/648507445.db2.gz PGTQNFBXAFHFER-HNNXBMFYSA-N 2 2 291.826 2.657 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926490607 648507451 /nfs/dbraw/zinc/50/74/51/648507451.db2.gz PGTQNFBXAFHFER-HNNXBMFYSA-N 2 2 291.826 2.657 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310755 649405278 /nfs/dbraw/zinc/40/52/78/649405278.db2.gz MWZRCYSAHMQVJE-JCGIZDLHSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310755 649405281 /nfs/dbraw/zinc/40/52/81/649405281.db2.gz MWZRCYSAHMQVJE-JCGIZDLHSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310755 649405282 /nfs/dbraw/zinc/40/52/82/649405282.db2.gz MWZRCYSAHMQVJE-JCGIZDLHSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310755 649405285 /nfs/dbraw/zinc/40/52/85/649405285.db2.gz MWZRCYSAHMQVJE-JCGIZDLHSA-N 2 2 283.419 2.893 20 30 CFEDLP CC(C)(C#N)CCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519091 649446633 /nfs/dbraw/zinc/44/66/33/649446633.db2.gz RHBDNFDEBQVPDJ-UHFFFAOYSA-N 2 2 272.396 2.742 20 30 CFEDLP CC(C)(C#N)CCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519091 649446638 /nfs/dbraw/zinc/44/66/38/649446638.db2.gz RHBDNFDEBQVPDJ-UHFFFAOYSA-N 2 2 272.396 2.742 20 30 CFEDLP C#CCCCCCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000931649703 649467260 /nfs/dbraw/zinc/46/72/60/649467260.db2.gz BGFPZBMFPAHTGW-GOSISDBHSA-N 2 2 292.467 2.803 20 30 CFEDLP C#CCCCCCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000931649703 649467263 /nfs/dbraw/zinc/46/72/63/649467263.db2.gz BGFPZBMFPAHTGW-GOSISDBHSA-N 2 2 292.467 2.803 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccccc1F ZINC000328092294 775715832 /nfs/dbraw/zinc/71/58/32/775715832.db2.gz JAGZDPUQYUMABX-MRXNPFEDSA-N 2 2 262.372 2.822 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccccc1F ZINC000328092294 775715835 /nfs/dbraw/zinc/71/58/35/775715835.db2.gz JAGZDPUQYUMABX-MRXNPFEDSA-N 2 2 262.372 2.822 20 30 CFEDLP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001268073889 776540169 /nfs/dbraw/zinc/54/01/69/776540169.db2.gz CBNXBUVZOZVMBL-CQSZACIVSA-N 2 2 289.423 2.633 20 30 CFEDLP C=CCC[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001268387357 776778281 /nfs/dbraw/zinc/77/82/81/776778281.db2.gz OIEUJYWMIRJHCW-CYBMUJFWSA-N 2 2 289.423 2.681 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971242 777435185 /nfs/dbraw/zinc/43/51/85/777435185.db2.gz UUHZNQUDCWAWIM-HNSVSWJLSA-N 2 2 261.413 2.674 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971242 777435187 /nfs/dbraw/zinc/43/51/87/777435187.db2.gz UUHZNQUDCWAWIM-HNSVSWJLSA-N 2 2 261.413 2.674 20 30 CFEDLP C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235240076 778428250 /nfs/dbraw/zinc/42/82/50/778428250.db2.gz MCLRUTPCMPPRKS-SJLPKXTDSA-N 2 2 286.419 2.955 20 30 CFEDLP C=C(C)COc1ccccc1C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235240076 778428253 /nfs/dbraw/zinc/42/82/53/778428253.db2.gz MCLRUTPCMPPRKS-SJLPKXTDSA-N 2 2 286.419 2.955 20 30 CFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001236058854 778672004 /nfs/dbraw/zinc/67/20/04/778672004.db2.gz CMMPYQSZZGVVFB-BBWFWOEESA-N 2 2 260.425 2.973 20 30 CFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CC[C@@H](C2)[NH2+]C3)CC1 ZINC001236058854 778672011 /nfs/dbraw/zinc/67/20/11/778672011.db2.gz CMMPYQSZZGVVFB-BBWFWOEESA-N 2 2 260.425 2.973 20 30 CFEDLP C=CCc1cccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1O ZINC001236240539 778748691 /nfs/dbraw/zinc/74/86/91/778748691.db2.gz QDJQXZWMGQATKM-KRWDZBQOSA-N 2 2 286.419 2.837 20 30 CFEDLP C=CCc1cccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1O ZINC001236240539 778748698 /nfs/dbraw/zinc/74/86/98/778748698.db2.gz QDJQXZWMGQATKM-KRWDZBQOSA-N 2 2 286.419 2.837 20 30 CFEDLP C(#CC1CC[NH+](C[C@H]2CCCC[NH2+]2)CC1)c1ccccc1 ZINC001236302645 778767680 /nfs/dbraw/zinc/76/76/80/778767680.db2.gz ABLGGECSEWOHIP-LJQANCHMSA-N 2 2 282.431 2.892 20 30 CFEDLP CCCCCCCCCC[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101554 779009727 /nfs/dbraw/zinc/00/97/27/779009727.db2.gz HNLABQQHPRDRNY-LSDHHAIUSA-N 2 2 256.434 2.785 20 30 CFEDLP CCCCCCCCCC[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101554 779009732 /nfs/dbraw/zinc/00/97/32/779009732.db2.gz HNLABQQHPRDRNY-LSDHHAIUSA-N 2 2 256.434 2.785 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154531 779028879 /nfs/dbraw/zinc/02/88/79/779028879.db2.gz DCCVRVRCOQMNGR-GOSISDBHSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237154531 779028886 /nfs/dbraw/zinc/02/88/86/779028886.db2.gz DCCVRVRCOQMNGR-GOSISDBHSA-N 2 2 283.419 2.973 20 30 CFEDLP C=CCCCCCCCC[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237173748 779035710 /nfs/dbraw/zinc/03/57/10/779035710.db2.gz AVQZWMSQMCDRLQ-OAHLLOKOSA-N 2 2 266.429 2.563 20 30 CFEDLP C=CCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237173748 779035713 /nfs/dbraw/zinc/03/57/13/779035713.db2.gz AVQZWMSQMCDRLQ-OAHLLOKOSA-N 2 2 266.429 2.563 20 30 CFEDLP N#Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1F ZINC001240151969 779974588 /nfs/dbraw/zinc/97/45/88/779974588.db2.gz OVFLHBPGXXDEQO-UHFFFAOYSA-N 2 2 292.317 2.699 20 30 CFEDLP Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc(C)[nH+]1 ZINC001240345112 780096692 /nfs/dbraw/zinc/09/66/92/780096692.db2.gz AFMDSJYXSBYWTA-UHFFFAOYSA-N 2 2 263.344 2.924 20 30 CFEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000709979828 781325540 /nfs/dbraw/zinc/32/55/40/781325540.db2.gz JJODXQGUICGKFX-KGLIPLIRSA-N 2 2 253.434 2.881 20 30 CFEDLP C#Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242296246 781376096 /nfs/dbraw/zinc/37/60/96/781376096.db2.gz YPFZHUAIHHXRSR-GOSISDBHSA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242296246 781376108 /nfs/dbraw/zinc/37/61/08/781376108.db2.gz YPFZHUAIHHXRSR-GOSISDBHSA-N 2 2 276.383 2.868 20 30 CFEDLP N#Cc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594522499 349441862 /nfs/dbraw/zinc/44/18/62/349441862.db2.gz YUPFFNZVMBBAIL-IRXDYDNUSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594522499 349441867 /nfs/dbraw/zinc/44/18/67/349441867.db2.gz YUPFFNZVMBBAIL-IRXDYDNUSA-N 2 2 269.392 2.665 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594931943 349515861 /nfs/dbraw/zinc/51/58/61/349515861.db2.gz JYMPDJVYAAFBHU-KSSFIOAISA-N 2 2 295.430 2.814 20 30 CFEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594931943 349515866 /nfs/dbraw/zinc/51/58/66/349515866.db2.gz JYMPDJVYAAFBHU-KSSFIOAISA-N 2 2 295.430 2.814 20 30 CFEDLP N#CC1(c2ccc(C[NH2+][C@@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000594947105 349524015 /nfs/dbraw/zinc/52/40/15/349524015.db2.gz SGDWTRXRSBRTBC-MRXNPFEDSA-N 2 2 292.386 2.543 20 30 CFEDLP C=CCCSCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000594960402 349530130 /nfs/dbraw/zinc/53/01/30/349530130.db2.gz PVFWURQOMURGBL-UHFFFAOYSA-N 2 2 261.394 2.733 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000594965191 349533518 /nfs/dbraw/zinc/53/35/18/349533518.db2.gz RKBYNQRJEKNCCH-CQSZACIVSA-N 2 2 275.371 2.660 20 30 CFEDLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594992439 349541123 /nfs/dbraw/zinc/54/11/23/349541123.db2.gz RJOSTGCMAUOONL-QGZVFWFLSA-N 2 2 283.419 2.816 20 30 CFEDLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594992439 349541125 /nfs/dbraw/zinc/54/11/25/349541125.db2.gz RJOSTGCMAUOONL-QGZVFWFLSA-N 2 2 283.419 2.816 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081495 349576598 /nfs/dbraw/zinc/57/65/98/349576598.db2.gz RMSCCUNEXKSWPJ-ILXRZTDVSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081495 349576604 /nfs/dbraw/zinc/57/66/04/349576604.db2.gz RMSCCUNEXKSWPJ-ILXRZTDVSA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000595892430 349763094 /nfs/dbraw/zinc/76/30/94/349763094.db2.gz QXSGDACPIUEAMU-IINYFYTJSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000595892430 349763099 /nfs/dbraw/zinc/76/30/99/349763099.db2.gz QXSGDACPIUEAMU-IINYFYTJSA-N 2 2 297.324 2.746 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188457 346697622 /nfs/dbraw/zinc/69/76/22/346697622.db2.gz ZWJDLNDVPIQPKB-IRXDYDNUSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188457 346697626 /nfs/dbraw/zinc/69/76/26/346697626.db2.gz ZWJDLNDVPIQPKB-IRXDYDNUSA-N 2 2 269.392 2.665 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)C1CC1 ZINC000090917480 347562917 /nfs/dbraw/zinc/56/29/17/347562917.db2.gz WPHJCAIQLQQRNN-IKGGRYGDSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@@H]2CO1)C1CC1 ZINC000090917480 347562919 /nfs/dbraw/zinc/56/29/19/347562919.db2.gz WPHJCAIQLQQRNN-IKGGRYGDSA-N 2 2 278.440 2.574 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cn2)CC1 ZINC000092746999 347644185 /nfs/dbraw/zinc/64/41/85/347644185.db2.gz VLVPMEYJUVHRSR-CYBMUJFWSA-N 2 2 277.387 2.912 20 30 CFEDLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589310578 348826369 /nfs/dbraw/zinc/82/63/69/348826369.db2.gz XCYNVGZXISIKRE-CYBMUJFWSA-N 2 2 297.324 2.761 20 30 CFEDLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589310578 348826375 /nfs/dbraw/zinc/82/63/75/348826375.db2.gz XCYNVGZXISIKRE-CYBMUJFWSA-N 2 2 297.324 2.761 20 30 CFEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000590648792 348920730 /nfs/dbraw/zinc/92/07/30/348920730.db2.gz DSJJAHHNRXTCFS-JKSUJKDBSA-N 2 2 285.435 2.831 20 30 CFEDLP CCC[NH2+]CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577683 349031217 /nfs/dbraw/zinc/03/12/17/349031217.db2.gz BGCHTQNNKJZYMP-INIZCTEOSA-N 2 2 257.381 2.525 20 30 CFEDLP C[C@H]([NH2+]Cc1ccncc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000592098995 349082293 /nfs/dbraw/zinc/08/22/93/349082293.db2.gz IVIVNWHJYQCXFZ-HOCLYGCPSA-N 2 2 298.434 2.696 20 30 CFEDLP C[C@H]([NH2+]Cc1ccncc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000592098995 349082295 /nfs/dbraw/zinc/08/22/95/349082295.db2.gz IVIVNWHJYQCXFZ-HOCLYGCPSA-N 2 2 298.434 2.696 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000593653539 349304878 /nfs/dbraw/zinc/30/48/78/349304878.db2.gz PPXFTGPZTNKICH-UHFFFAOYSA-N 2 2 298.434 2.720 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593653181 349305024 /nfs/dbraw/zinc/30/50/24/349305024.db2.gz DYVOETDIHXQKEO-UHFFFAOYSA-N 2 2 295.390 2.749 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000594501320 349432223 /nfs/dbraw/zinc/43/22/23/349432223.db2.gz YXCPFWXAOHAGJM-INIZCTEOSA-N 2 2 283.419 2.814 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000594501320 349432227 /nfs/dbraw/zinc/43/22/27/349432227.db2.gz YXCPFWXAOHAGJM-INIZCTEOSA-N 2 2 283.419 2.814 20 30 CFEDLP C[NH+](C)CC1(C[NH2+]Cc2cccc(F)c2C#N)CCCC1 ZINC000602018500 350833207 /nfs/dbraw/zinc/83/32/07/350833207.db2.gz YPEPLLUWZHCNFU-UHFFFAOYSA-N 2 2 289.398 2.909 20 30 CFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602508306 350909672 /nfs/dbraw/zinc/90/96/72/350909672.db2.gz MAEKQNXTTVZEBJ-JKSUJKDBSA-N 2 2 293.455 2.549 20 30 CFEDLP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(C#N)n1 ZINC000602661530 350965351 /nfs/dbraw/zinc/96/53/51/350965351.db2.gz DMOMPIQEKPONSY-UHFFFAOYSA-N 2 2 274.412 2.507 20 30 CFEDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(C#N)n1 ZINC000602661530 350965357 /nfs/dbraw/zinc/96/53/57/350965357.db2.gz DMOMPIQEKPONSY-UHFFFAOYSA-N 2 2 274.412 2.507 20 30 CFEDLP C[C@H](CCC#N)C[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000602714698 350995901 /nfs/dbraw/zinc/99/59/01/350995901.db2.gz BZVPKWUPBCDFGQ-CABCVRRESA-N 2 2 251.418 2.636 20 30 CFEDLP N#CCC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000602796080 351028303 /nfs/dbraw/zinc/02/83/03/351028303.db2.gz JWJCRQISFXZZQN-GOEBONIOSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000602796080 351028306 /nfs/dbraw/zinc/02/83/06/351028306.db2.gz JWJCRQISFXZZQN-GOEBONIOSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000602796080 351028309 /nfs/dbraw/zinc/02/83/09/351028309.db2.gz JWJCRQISFXZZQN-GOEBONIOSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000602796080 351028310 /nfs/dbraw/zinc/02/83/10/351028310.db2.gz JWJCRQISFXZZQN-GOEBONIOSA-N 2 2 273.424 2.629 20 30 CFEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390980 351680547 /nfs/dbraw/zinc/68/05/47/351680547.db2.gz YLKIAQOEEDXUAQ-DYVFJYSZSA-N 2 2 280.375 2.810 20 30 CFEDLP CC1(C)C[C@@H]([NH2+]CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000612194921 351786861 /nfs/dbraw/zinc/78/68/61/351786861.db2.gz GFASKMKRYJIDDW-MRXNPFEDSA-N 2 2 271.408 2.933 20 30 CFEDLP CC1(C)C[C@@H]([NH2+]CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000612194921 351786863 /nfs/dbraw/zinc/78/68/63/351786863.db2.gz GFASKMKRYJIDDW-MRXNPFEDSA-N 2 2 271.408 2.933 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2cn3ccccc3c2C#N)CC[N@@H+]1C ZINC000123849745 187111691 /nfs/dbraw/zinc/11/16/91/187111691.db2.gz STVHHYATZIQVTM-GOEBONIOSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2cn3ccccc3c2C#N)CC[N@H+]1C ZINC000123849745 187111692 /nfs/dbraw/zinc/11/16/92/187111692.db2.gz STVHHYATZIQVTM-GOEBONIOSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cn3ccccc3c2C#N)CC[NH+]1C ZINC000123849745 187111693 /nfs/dbraw/zinc/11/16/93/187111693.db2.gz STVHHYATZIQVTM-GOEBONIOSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)CC[NH+]1C ZINC000123849745 187111694 /nfs/dbraw/zinc/11/16/94/187111694.db2.gz STVHHYATZIQVTM-GOEBONIOSA-N 2 2 296.418 2.725 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000616752137 352427243 /nfs/dbraw/zinc/42/72/43/352427243.db2.gz DRLXBAAWRSFCKV-OAHLLOKOSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1F ZINC000616752137 352427245 /nfs/dbraw/zinc/42/72/45/352427245.db2.gz DRLXBAAWRSFCKV-OAHLLOKOSA-N 2 2 284.338 2.731 20 30 CFEDLP CCC[NH+]1CCC([N@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC000154285758 188133325 /nfs/dbraw/zinc/13/33/25/188133325.db2.gz OCWVPTFWLWNLJX-UHFFFAOYSA-N 2 2 288.410 2.983 20 30 CFEDLP CCC[NH+]1CCC([N@@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC000154285758 188133326 /nfs/dbraw/zinc/13/33/26/188133326.db2.gz OCWVPTFWLWNLJX-UHFFFAOYSA-N 2 2 288.410 2.983 20 30 CFEDLP C#CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156981395 188290775 /nfs/dbraw/zinc/29/07/75/188290775.db2.gz RHPZRZDOAVVESL-DOTOQJQBSA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156981395 188290776 /nfs/dbraw/zinc/29/07/76/188290776.db2.gz RHPZRZDOAVVESL-DOTOQJQBSA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156981395 188290777 /nfs/dbraw/zinc/29/07/77/188290777.db2.gz RHPZRZDOAVVESL-DOTOQJQBSA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156981395 188290779 /nfs/dbraw/zinc/29/07/79/188290779.db2.gz RHPZRZDOAVVESL-DOTOQJQBSA-N 2 2 256.393 2.605 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cncc(OCC)c2)CC1 ZINC000621334889 353326617 /nfs/dbraw/zinc/32/66/17/353326617.db2.gz UVYSKENCMODRKB-UHFFFAOYSA-N 2 2 289.423 2.610 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000294924507 199252652 /nfs/dbraw/zinc/25/26/52/199252652.db2.gz HATAQOPTNFKYEY-CQSZACIVSA-N 2 2 290.455 2.552 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000294924507 199252653 /nfs/dbraw/zinc/25/26/53/199252653.db2.gz HATAQOPTNFKYEY-CQSZACIVSA-N 2 2 290.455 2.552 20 30 CFEDLP CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181386990 189295805 /nfs/dbraw/zinc/29/58/05/189295805.db2.gz AXXDPYWNVTXXSS-UHFFFAOYSA-N 2 2 257.381 2.522 20 30 CFEDLP CC[C@H](CC#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000054183656 373503584 /nfs/dbraw/zinc/50/35/84/373503584.db2.gz UIKVUNRPECIXST-CQSZACIVSA-N 2 2 254.337 2.654 20 30 CFEDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC000289501889 197379460 /nfs/dbraw/zinc/37/94/60/197379460.db2.gz SXOBEUFHEHYXIN-UHFFFAOYSA-N 2 2 277.437 2.928 20 30 CFEDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC000289501889 197379462 /nfs/dbraw/zinc/37/94/62/197379462.db2.gz SXOBEUFHEHYXIN-UHFFFAOYSA-N 2 2 277.437 2.928 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([NH+](C)C)CC1 ZINC000118532610 296225300 /nfs/dbraw/zinc/22/53/00/296225300.db2.gz MBCOXVNFPJAFHH-ZDUSSCGKSA-N 2 2 257.381 2.645 20 30 CFEDLP C=CC[NH+](CC=C)C1CCN(c2cccc[nH+]2)CC1 ZINC000122248037 376924223 /nfs/dbraw/zinc/92/42/23/376924223.db2.gz QYTALSTWXZQHOR-UHFFFAOYSA-N 2 2 257.381 2.724 20 30 CFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000123767524 376978022 /nfs/dbraw/zinc/97/80/22/376978022.db2.gz VVCFWPREYRPGQL-HNNXBMFYSA-N 2 2 294.402 2.746 20 30 CFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000123767524 376978028 /nfs/dbraw/zinc/97/80/28/376978028.db2.gz VVCFWPREYRPGQL-HNNXBMFYSA-N 2 2 294.402 2.746 20 30 CFEDLP N#Cc1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265542728 190188978 /nfs/dbraw/zinc/18/89/78/190188978.db2.gz WYYRWZNTLHZPCW-UHFFFAOYSA-N 2 2 296.374 2.540 20 30 CFEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC000130890293 377627274 /nfs/dbraw/zinc/62/72/74/377627274.db2.gz VHWSYHIIKGSRLY-ZDUSSCGKSA-N 2 2 277.437 2.926 20 30 CFEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC000130890293 377627281 /nfs/dbraw/zinc/62/72/81/377627281.db2.gz VHWSYHIIKGSRLY-ZDUSSCGKSA-N 2 2 277.437 2.926 20 30 CFEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC000130890293 377627290 /nfs/dbraw/zinc/62/72/90/377627290.db2.gz VHWSYHIIKGSRLY-ZDUSSCGKSA-N 2 2 277.437 2.926 20 30 CFEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC000130890293 377627296 /nfs/dbraw/zinc/62/72/96/377627296.db2.gz VHWSYHIIKGSRLY-ZDUSSCGKSA-N 2 2 277.437 2.926 20 30 CFEDLP COc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1C#N ZINC000135182548 378095212 /nfs/dbraw/zinc/09/52/12/378095212.db2.gz XXVTYDPUFXINGR-UHFFFAOYSA-N 2 2 287.407 2.529 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150775505 378271740 /nfs/dbraw/zinc/27/17/40/378271740.db2.gz OBVMFCVUBDAWSB-HNNXBMFYSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150775505 378271746 /nfs/dbraw/zinc/27/17/46/378271746.db2.gz OBVMFCVUBDAWSB-HNNXBMFYSA-N 2 2 287.382 2.615 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000154293125 378555284 /nfs/dbraw/zinc/55/52/84/378555284.db2.gz JGEUGOUGYQWXLO-PBHICJAKSA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC000154293125 378555286 /nfs/dbraw/zinc/55/52/86/378555286.db2.gz JGEUGOUGYQWXLO-PBHICJAKSA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1C ZINC000154293125 378555291 /nfs/dbraw/zinc/55/52/91/378555291.db2.gz JGEUGOUGYQWXLO-PBHICJAKSA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1C ZINC000154293125 378555294 /nfs/dbraw/zinc/55/52/94/378555294.db2.gz JGEUGOUGYQWXLO-PBHICJAKSA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000154293009 378555716 /nfs/dbraw/zinc/55/57/16/378555716.db2.gz JGEUGOUGYQWXLO-WMLDXEAASA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC000154293009 378555721 /nfs/dbraw/zinc/55/57/21/378555721.db2.gz JGEUGOUGYQWXLO-WMLDXEAASA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1C ZINC000154293009 378555724 /nfs/dbraw/zinc/55/57/24/378555724.db2.gz JGEUGOUGYQWXLO-WMLDXEAASA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1C ZINC000154293009 378555729 /nfs/dbraw/zinc/55/57/29/378555729.db2.gz JGEUGOUGYQWXLO-WMLDXEAASA-N 2 2 274.383 2.592 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266967209 190294170 /nfs/dbraw/zinc/29/41/70/190294170.db2.gz YOZUOQDFLJLTQL-HNNXBMFYSA-N 2 2 266.348 2.661 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266967209 190294171 /nfs/dbraw/zinc/29/41/71/190294171.db2.gz YOZUOQDFLJLTQL-HNNXBMFYSA-N 2 2 266.348 2.661 20 30 CFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(C#N)c3F)C2)C1 ZINC000335895668 380067979 /nfs/dbraw/zinc/06/79/79/380067979.db2.gz MXCFZNJQYCHERC-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(C#N)c3F)C2)C1 ZINC000335895668 380067982 /nfs/dbraw/zinc/06/79/82/380067982.db2.gz MXCFZNJQYCHERC-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC000335895668 380067985 /nfs/dbraw/zinc/06/79/85/380067985.db2.gz MXCFZNJQYCHERC-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC000335895668 380067987 /nfs/dbraw/zinc/06/79/87/380067987.db2.gz MXCFZNJQYCHERC-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1F ZINC000336002512 380221455 /nfs/dbraw/zinc/22/14/55/380221455.db2.gz IJMRVWRYEGXKIG-CMPLNLGQSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1F ZINC000336002512 380221461 /nfs/dbraw/zinc/22/14/61/380221461.db2.gz IJMRVWRYEGXKIG-CMPLNLGQSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336222239 380291758 /nfs/dbraw/zinc/29/17/58/380291758.db2.gz OOKSFUMUDRYLAU-JMVNKWJPSA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336222239 380291762 /nfs/dbraw/zinc/29/17/62/380291762.db2.gz OOKSFUMUDRYLAU-JMVNKWJPSA-N 2 2 261.413 2.531 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000178054437 380406089 /nfs/dbraw/zinc/40/60/89/380406089.db2.gz NMRFGGUBZWSYLF-WBVHZDCISA-N 2 2 256.393 2.652 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000178054437 380406097 /nfs/dbraw/zinc/40/60/97/380406097.db2.gz NMRFGGUBZWSYLF-WBVHZDCISA-N 2 2 256.393 2.652 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542458 380673839 /nfs/dbraw/zinc/67/38/39/380673839.db2.gz NZOHOJFBRVBXMH-DZKIICNBSA-N 2 2 299.418 2.865 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542458 380673845 /nfs/dbraw/zinc/67/38/45/380673845.db2.gz NZOHOJFBRVBXMH-DZKIICNBSA-N 2 2 299.418 2.865 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000181717010 380873164 /nfs/dbraw/zinc/87/31/64/380873164.db2.gz CVIPUJVACOBPAP-HZPDHXFCSA-N 2 2 280.456 2.820 20 30 CFEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358569933 380936370 /nfs/dbraw/zinc/93/63/70/380936370.db2.gz MSPQBONMESBRQY-VXGBXAGGSA-N 2 2 272.327 2.633 20 30 CFEDLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1F ZINC000358577724 380942649 /nfs/dbraw/zinc/94/26/49/380942649.db2.gz UXGWDIHNDSBPOR-LBPRGKRZSA-N 2 2 287.382 2.975 20 30 CFEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289643749 381083843 /nfs/dbraw/zinc/08/38/43/381083843.db2.gz LFYMKYUNQPMEDW-DLBZAZTESA-N 2 2 274.408 2.893 20 30 CFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292848871 381863777 /nfs/dbraw/zinc/86/37/77/381863777.db2.gz BRQSPTSBQXJCIM-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292848871 381863787 /nfs/dbraw/zinc/86/37/87/381863787.db2.gz BRQSPTSBQXJCIM-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292848871 381863798 /nfs/dbraw/zinc/86/37/98/381863798.db2.gz BRQSPTSBQXJCIM-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292848871 381863806 /nfs/dbraw/zinc/86/38/06/381863806.db2.gz BRQSPTSBQXJCIM-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000373107607 381928998 /nfs/dbraw/zinc/92/89/98/381928998.db2.gz VDJWIRVVVCTBTO-AWEZNQCLSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000373107607 381929004 /nfs/dbraw/zinc/92/90/04/381929004.db2.gz VDJWIRVVVCTBTO-AWEZNQCLSA-N 2 2 298.365 2.810 20 30 CFEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2C#N)CC1 ZINC000299505819 381964925 /nfs/dbraw/zinc/96/49/25/381964925.db2.gz AISYFUVYGZEZLC-UHFFFAOYSA-N 2 2 271.408 2.863 20 30 CFEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2C#N)CC1 ZINC000299505819 381964933 /nfs/dbraw/zinc/96/49/33/381964933.db2.gz AISYFUVYGZEZLC-UHFFFAOYSA-N 2 2 271.408 2.863 20 30 CFEDLP C=C(C)C[N@@H+](C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375360478 382081362 /nfs/dbraw/zinc/08/13/62/382081362.db2.gz GAZVZCHNQGXFGX-GOSISDBHSA-N 2 2 288.435 2.785 20 30 CFEDLP C=C(C)C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375360478 382081368 /nfs/dbraw/zinc/08/13/68/382081368.db2.gz GAZVZCHNQGXFGX-GOSISDBHSA-N 2 2 288.435 2.785 20 30 CFEDLP C=C(C)C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000375360478 382081372 /nfs/dbraw/zinc/08/13/72/382081372.db2.gz GAZVZCHNQGXFGX-GOSISDBHSA-N 2 2 288.435 2.785 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1COC(C)(C)C1)C(C)C ZINC000417864738 382087094 /nfs/dbraw/zinc/08/70/94/382087094.db2.gz UPZYVFQYMZCBCG-HZPDHXFCSA-N 2 2 280.456 2.842 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000365673440 382430901 /nfs/dbraw/zinc/43/09/01/382430901.db2.gz WHTCTEOCLPGHOI-CQSZACIVSA-N 2 2 274.412 2.929 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000365673440 382430907 /nfs/dbraw/zinc/43/09/07/382430907.db2.gz WHTCTEOCLPGHOI-CQSZACIVSA-N 2 2 274.412 2.929 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c(F)c1 ZINC000365551141 382411243 /nfs/dbraw/zinc/41/12/43/382411243.db2.gz VKBYLLASXRHZGF-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c(F)c1 ZINC000365551141 382411248 /nfs/dbraw/zinc/41/12/48/382411248.db2.gz VKBYLLASXRHZGF-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c(F)c1 ZINC000365551141 382411255 /nfs/dbraw/zinc/41/12/55/382411255.db2.gz VKBYLLASXRHZGF-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c(F)c1 ZINC000365551141 382411259 /nfs/dbraw/zinc/41/12/59/382411259.db2.gz VKBYLLASXRHZGF-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)cs2)C[C@H]1C ZINC000353750942 382626322 /nfs/dbraw/zinc/62/63/22/382626322.db2.gz PBFDXXIVVIOBCQ-TZMCWYRMSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)cs2)C[C@H]1C ZINC000353750942 382626325 /nfs/dbraw/zinc/62/63/25/382626325.db2.gz PBFDXXIVVIOBCQ-TZMCWYRMSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)cs2)C[C@H]1C ZINC000353750942 382626328 /nfs/dbraw/zinc/62/63/28/382626328.db2.gz PBFDXXIVVIOBCQ-TZMCWYRMSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C[C@H]1C ZINC000353750942 382626331 /nfs/dbraw/zinc/62/63/31/382626331.db2.gz PBFDXXIVVIOBCQ-TZMCWYRMSA-N 2 2 277.437 2.924 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000190937963 382685493 /nfs/dbraw/zinc/68/54/93/382685493.db2.gz ULBOVTKRRRDVKN-OAHLLOKOSA-N 2 2 260.381 2.897 20 30 CFEDLP C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000191613078 382701636 /nfs/dbraw/zinc/70/16/36/382701636.db2.gz ONOMEUVQDTWGBJ-RDTXWAMCSA-N 2 2 296.418 2.678 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192047960 382704458 /nfs/dbraw/zinc/70/44/58/382704458.db2.gz OFZPFHLNXLZIHE-SFHVURJKSA-N 2 2 270.420 2.702 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192047960 382704459 /nfs/dbraw/zinc/70/44/59/382704459.db2.gz OFZPFHLNXLZIHE-SFHVURJKSA-N 2 2 270.420 2.702 20 30 CFEDLP C=CCCCCC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000193315766 382718669 /nfs/dbraw/zinc/71/86/69/382718669.db2.gz LLEDVOYOWIHWGR-INIZCTEOSA-N 2 2 280.456 2.918 20 30 CFEDLP C=CCCCCC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000193315766 382718670 /nfs/dbraw/zinc/71/86/70/382718670.db2.gz LLEDVOYOWIHWGR-INIZCTEOSA-N 2 2 280.456 2.918 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194299579 382739661 /nfs/dbraw/zinc/73/96/61/382739661.db2.gz VCPPYXFDNSUJAA-UHFFFAOYSA-N 2 2 296.418 2.817 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236661363 382904663 /nfs/dbraw/zinc/90/46/63/382904663.db2.gz LMQNVNFFJLSIEY-UHFFFAOYSA-N 2 2 269.392 2.908 20 30 CFEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423363185 383064943 /nfs/dbraw/zinc/06/49/43/383064943.db2.gz NPKQPPASXICLDN-XWIAVFTESA-N 2 2 283.419 2.913 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247019085 383132411 /nfs/dbraw/zinc/13/24/11/383132411.db2.gz XUBOAIKJPUTSEA-YJBOKZPZSA-N 2 2 288.410 2.839 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247019085 383132416 /nfs/dbraw/zinc/13/24/16/383132416.db2.gz XUBOAIKJPUTSEA-YJBOKZPZSA-N 2 2 288.410 2.839 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247019085 383132420 /nfs/dbraw/zinc/13/24/20/383132420.db2.gz XUBOAIKJPUTSEA-YJBOKZPZSA-N 2 2 288.410 2.839 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247019085 383132424 /nfs/dbraw/zinc/13/24/24/383132424.db2.gz XUBOAIKJPUTSEA-YJBOKZPZSA-N 2 2 288.410 2.839 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000247056582 383137107 /nfs/dbraw/zinc/13/71/07/383137107.db2.gz VFNIGWLJUIRBTB-GUYCJALGSA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000247056582 383137111 /nfs/dbraw/zinc/13/71/11/383137111.db2.gz VFNIGWLJUIRBTB-GUYCJALGSA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000247056582 383137116 /nfs/dbraw/zinc/13/71/16/383137116.db2.gz VFNIGWLJUIRBTB-GUYCJALGSA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000247056582 383137119 /nfs/dbraw/zinc/13/71/19/383137119.db2.gz VFNIGWLJUIRBTB-GUYCJALGSA-N 2 2 285.391 2.600 20 30 CFEDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000515843896 383161381 /nfs/dbraw/zinc/16/13/81/383161381.db2.gz BKVSONMOGAPARS-UHFFFAOYSA-N 2 2 280.375 2.503 20 30 CFEDLP N#CCC[C@H](C#N)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000563710035 383168058 /nfs/dbraw/zinc/16/80/58/383168058.db2.gz UNXMLQRTBHNPMO-CYBMUJFWSA-N 2 2 281.363 2.529 20 30 CFEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248935076 383309113 /nfs/dbraw/zinc/30/91/13/383309113.db2.gz YFSLQXXPIGXFPS-QXSJWSMHSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248935076 383309116 /nfs/dbraw/zinc/30/91/16/383309116.db2.gz YFSLQXXPIGXFPS-QXSJWSMHSA-N 2 2 263.429 2.779 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309937842 262057964 /nfs/dbraw/zinc/05/79/64/262057964.db2.gz DWANAZMTLWQPHP-ZMSDIMECSA-N 2 2 256.393 2.651 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309937842 262057967 /nfs/dbraw/zinc/05/79/67/262057967.db2.gz DWANAZMTLWQPHP-ZMSDIMECSA-N 2 2 256.393 2.651 20 30 CFEDLP C=C(CC)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449734361 383363268 /nfs/dbraw/zinc/36/32/68/383363268.db2.gz MTJGACBLKJYEHF-UHFFFAOYSA-N 2 2 259.397 2.602 20 30 CFEDLP N#CCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266773564 384235494 /nfs/dbraw/zinc/23/54/94/384235494.db2.gz SQEKPGGZJUJMLK-UHFFFAOYSA-N 2 2 296.374 2.692 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc(C#N)c1 ZINC000269923573 384905156 /nfs/dbraw/zinc/90/51/56/384905156.db2.gz BMPQJNBWQVBSEZ-UHFFFAOYSA-N 2 2 251.333 2.594 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156494789 533640553 /nfs/dbraw/zinc/64/05/53/533640553.db2.gz JHONGLBOUQTFHH-YOEHRIQHSA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000156494789 533640558 /nfs/dbraw/zinc/64/05/58/533640558.db2.gz JHONGLBOUQTFHH-YOEHRIQHSA-N 2 2 280.375 2.838 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000179122761 393451881 /nfs/dbraw/zinc/45/18/81/393451881.db2.gz PMJNWMODLKWEEJ-ULQDDVLXSA-N 2 2 290.451 2.574 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000186252881 393541494 /nfs/dbraw/zinc/54/14/94/393541494.db2.gz AJGRYRMEBSOJOU-UHFFFAOYSA-N 2 2 280.375 2.900 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000245412713 393801973 /nfs/dbraw/zinc/80/19/73/393801973.db2.gz AWKLANRZBGTVMD-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000245412713 393801979 /nfs/dbraw/zinc/80/19/79/393801979.db2.gz AWKLANRZBGTVMD-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000245412713 393801980 /nfs/dbraw/zinc/80/19/80/393801980.db2.gz AWKLANRZBGTVMD-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000245412713 393801984 /nfs/dbraw/zinc/80/19/84/393801984.db2.gz AWKLANRZBGTVMD-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP C=C(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000130824571 394119612 /nfs/dbraw/zinc/11/96/12/394119612.db2.gz DWHWJXVYARJTES-UHFFFAOYSA-N 2 2 269.392 2.688 20 30 CFEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccco1 ZINC000286030144 394181854 /nfs/dbraw/zinc/18/18/54/394181854.db2.gz KDNYFVREICSAPY-MRXNPFEDSA-N 2 2 292.423 2.987 20 30 CFEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1F ZINC000453359847 394390751 /nfs/dbraw/zinc/39/07/51/394390751.db2.gz QIKGFTYHPFYLSX-PRTUASRFSA-N 2 2 287.382 2.973 20 30 CFEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)cc1F ZINC000453359847 394390753 /nfs/dbraw/zinc/39/07/53/394390753.db2.gz QIKGFTYHPFYLSX-PRTUASRFSA-N 2 2 287.382 2.973 20 30 CFEDLP N#Cc1csc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000355582413 155044285 /nfs/dbraw/zinc/04/42/85/155044285.db2.gz MDTIOUKQSJVJJM-UHFFFAOYSA-N 2 2 275.421 2.726 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000373812068 157033456 /nfs/dbraw/zinc/03/34/56/157033456.db2.gz KEAYAOAUWYYWBQ-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000373812068 157033460 /nfs/dbraw/zinc/03/34/60/157033460.db2.gz KEAYAOAUWYYWBQ-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000373812068 157033463 /nfs/dbraw/zinc/03/34/63/157033463.db2.gz KEAYAOAUWYYWBQ-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000373812068 157033465 /nfs/dbraw/zinc/03/34/65/157033465.db2.gz KEAYAOAUWYYWBQ-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C2 ZINC000376494326 157363141 /nfs/dbraw/zinc/36/31/41/157363141.db2.gz ZURFZTVHZXTHJS-XJKSGUPXSA-N 2 2 280.375 2.729 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657875809 414019077 /nfs/dbraw/zinc/01/90/77/414019077.db2.gz QESQIOJEGMQPQC-NSHDSACASA-N 2 2 260.372 2.906 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1COC2(CCC2)C1)C(C)C ZINC000657834936 413986169 /nfs/dbraw/zinc/98/61/69/413986169.db2.gz MUUFPHDKJSRRLO-SJORKVTESA-N 2 2 292.467 2.986 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037213923 173034903 /nfs/dbraw/zinc/03/49/03/173034903.db2.gz GVQDQBHHNVOMLJ-XJKSGUPXSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037213923 173034904 /nfs/dbraw/zinc/03/49/04/173034904.db2.gz GVQDQBHHNVOMLJ-XJKSGUPXSA-N 2 2 257.381 2.693 20 30 CFEDLP C=CCCC1(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CCCC1 ZINC000665236916 414191758 /nfs/dbraw/zinc/19/17/58/414191758.db2.gz WKLCCCUXYCLIFS-HOTGVXAUSA-N 2 2 280.456 2.870 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655713142 414383792 /nfs/dbraw/zinc/38/37/92/414383792.db2.gz WDCCCPSWNSYPAH-TZMCWYRMSA-N 2 2 254.443 2.511 20 30 CFEDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000045135228 175312874 /nfs/dbraw/zinc/31/28/74/175312874.db2.gz DAKDYLWVRARVJH-CQSZACIVSA-N 2 2 275.371 2.517 20 30 CFEDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000045135228 175312875 /nfs/dbraw/zinc/31/28/75/175312875.db2.gz DAKDYLWVRARVJH-CQSZACIVSA-N 2 2 275.371 2.517 20 30 CFEDLP N#CCC1(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000088255427 260229938 /nfs/dbraw/zinc/22/99/38/260229938.db2.gz PTHUZVGGSAXGHS-QGZVFWFLSA-N 2 2 283.419 2.934 20 30 CFEDLP N#CCC1(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000088255427 260229939 /nfs/dbraw/zinc/22/99/39/260229939.db2.gz PTHUZVGGSAXGHS-QGZVFWFLSA-N 2 2 283.419 2.934 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CCCC#N)C[N@H+](Cc2ccccc2)C1 ZINC000274410310 263023885 /nfs/dbraw/zinc/02/38/85/263023885.db2.gz ZVQNQJBCBBPSDV-NVXWUHKLSA-N 2 2 271.408 2.790 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CCCC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000274410310 263023886 /nfs/dbraw/zinc/02/38/86/263023886.db2.gz ZVQNQJBCBBPSDV-NVXWUHKLSA-N 2 2 271.408 2.790 20 30 CFEDLP N#CCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282144680 263074728 /nfs/dbraw/zinc/07/47/28/263074728.db2.gz SDMDTDHIRBMAKG-CQSZACIVSA-N 2 2 272.396 2.703 20 30 CFEDLP N#CCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282144680 263074729 /nfs/dbraw/zinc/07/47/29/263074729.db2.gz SDMDTDHIRBMAKG-CQSZACIVSA-N 2 2 272.396 2.703 20 30 CFEDLP C[NH+](CCC[N@H+](C)CCCSCC#N)Cc1ccco1 ZINC000285474470 263093229 /nfs/dbraw/zinc/09/32/29/263093229.db2.gz BBXMQOPYMAZSAT-UHFFFAOYSA-N 2 2 295.452 2.680 20 30 CFEDLP C[NH+](CCC[N@@H+](C)CCCSCC#N)Cc1ccco1 ZINC000285474470 263093230 /nfs/dbraw/zinc/09/32/30/263093230.db2.gz BBXMQOPYMAZSAT-UHFFFAOYSA-N 2 2 295.452 2.680 20 30 CFEDLP C[NH+](CCCSCC#N)CCC[N@H+](C)Cc1ccco1 ZINC000285474470 263093231 /nfs/dbraw/zinc/09/32/31/263093231.db2.gz BBXMQOPYMAZSAT-UHFFFAOYSA-N 2 2 295.452 2.680 20 30 CFEDLP C[NH+](CCCSCC#N)CCC[N@@H+](C)Cc1ccco1 ZINC000285474470 263093232 /nfs/dbraw/zinc/09/32/32/263093232.db2.gz BBXMQOPYMAZSAT-UHFFFAOYSA-N 2 2 295.452 2.680 20 30 CFEDLP C[NH+](CCC[N@H+](C)CCCCC#N)Cc1ccco1 ZINC000285604417 263094597 /nfs/dbraw/zinc/09/45/97/263094597.db2.gz JYFCDKOLXCLIAZ-UHFFFAOYSA-N 2 2 263.385 2.727 20 30 CFEDLP C[NH+](CCC[N@@H+](C)CCCCC#N)Cc1ccco1 ZINC000285604417 263094598 /nfs/dbraw/zinc/09/45/98/263094598.db2.gz JYFCDKOLXCLIAZ-UHFFFAOYSA-N 2 2 263.385 2.727 20 30 CFEDLP C[NH+](CCCCC#N)CCC[N@H+](C)Cc1ccco1 ZINC000285604417 263094599 /nfs/dbraw/zinc/09/45/99/263094599.db2.gz JYFCDKOLXCLIAZ-UHFFFAOYSA-N 2 2 263.385 2.727 20 30 CFEDLP C[NH+](CCCCC#N)CCC[N@@H+](C)Cc1ccco1 ZINC000285604417 263094600 /nfs/dbraw/zinc/09/46/00/263094600.db2.gz JYFCDKOLXCLIAZ-UHFFFAOYSA-N 2 2 263.385 2.727 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341891563 263363743 /nfs/dbraw/zinc/36/37/43/263363743.db2.gz VGEYKMHGBKBPQZ-CABCVRRESA-N 2 2 285.391 2.708 20 30 CFEDLP CC#CCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000368485665 267176279 /nfs/dbraw/zinc/17/62/79/267176279.db2.gz JLGXRZQTCPIZRT-OAHLLOKOSA-N 2 2 259.397 2.884 20 30 CFEDLP CC#CCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000368485665 267176282 /nfs/dbraw/zinc/17/62/82/267176282.db2.gz JLGXRZQTCPIZRT-OAHLLOKOSA-N 2 2 259.397 2.884 20 30 CFEDLP N#CCCC[NH2+][C@@H]1C[C@@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000368582506 267188969 /nfs/dbraw/zinc/18/89/69/267188969.db2.gz GHHKRJVUMZJJSS-MSOLQXFVSA-N 2 2 283.419 2.933 20 30 CFEDLP N#CCCC[NH2+][C@@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000368582506 267188970 /nfs/dbraw/zinc/18/89/70/267188970.db2.gz GHHKRJVUMZJJSS-MSOLQXFVSA-N 2 2 283.419 2.933 20 30 CFEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCCCC#N)[nH+]1 ZINC000369899707 267275438 /nfs/dbraw/zinc/27/54/38/267275438.db2.gz JLBNBSLZPSVTSS-OAHLLOKOSA-N 2 2 272.396 2.960 20 30 CFEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCCCC#N)[nH+]1 ZINC000369899707 267275440 /nfs/dbraw/zinc/27/54/40/267275440.db2.gz JLBNBSLZPSVTSS-OAHLLOKOSA-N 2 2 272.396 2.960 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000418140277 267362199 /nfs/dbraw/zinc/36/21/99/267362199.db2.gz JDJTYYGZVWYKNH-UHFFFAOYSA-N 2 2 283.419 2.934 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353254543 274343262 /nfs/dbraw/zinc/34/32/62/274343262.db2.gz MABSXPOGUFSCOK-UUWFMWQGSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353254543 274343263 /nfs/dbraw/zinc/34/32/63/274343263.db2.gz MABSXPOGUFSCOK-UUWFMWQGSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000352519508 279126717 /nfs/dbraw/zinc/12/67/17/279126717.db2.gz PBFYVZZURVRDEE-NRSFXHEJSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000352519508 279126718 /nfs/dbraw/zinc/12/67/18/279126718.db2.gz PBFYVZZURVRDEE-NRSFXHEJSA-N 2 2 283.419 2.931 20 30 CFEDLP CC[N@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271050821 328194877 /nfs/dbraw/zinc/19/48/77/328194877.db2.gz AIZDPUCYGTUKAY-UHFFFAOYSA-N 2 2 285.435 2.932 20 30 CFEDLP CC[N@@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271050821 328194878 /nfs/dbraw/zinc/19/48/78/328194878.db2.gz AIZDPUCYGTUKAY-UHFFFAOYSA-N 2 2 285.435 2.932 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](C)C2(C[NH3+])CCC2)c1 ZINC000414793933 328228925 /nfs/dbraw/zinc/22/89/25/328228925.db2.gz UVUQTLHCGRFXGV-UHFFFAOYSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@H+](C)C2(C[NH3+])CCC2)c1 ZINC000414793933 328228926 /nfs/dbraw/zinc/22/89/26/328228926.db2.gz UVUQTLHCGRFXGV-UHFFFAOYSA-N 2 2 260.381 2.565 20 30 CFEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340430924 328276664 /nfs/dbraw/zinc/27/66/64/328276664.db2.gz AIDLLRNRDSLGNF-HYVNUMGLSA-N 2 2 271.408 2.961 20 30 CFEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340430924 328276665 /nfs/dbraw/zinc/27/66/65/328276665.db2.gz AIDLLRNRDSLGNF-HYVNUMGLSA-N 2 2 271.408 2.961 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000559145694 327142868 /nfs/dbraw/zinc/14/28/68/327142868.db2.gz QAEIFYDORJJDDD-HIFRSBDPSA-N 2 2 270.380 2.650 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCCC3)CC1 ZINC000181716631 329235915 /nfs/dbraw/zinc/23/59/15/329235915.db2.gz LOEADEXIJHFVRX-IRXDYDNUSA-N 2 2 292.467 2.964 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)C(C)C ZINC000248838242 329900443 /nfs/dbraw/zinc/90/04/43/329900443.db2.gz HHXIMQRDVSSYFE-YESZJQIVSA-N 2 2 280.456 2.700 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)C(C)C ZINC000248838236 329900476 /nfs/dbraw/zinc/90/04/76/329900476.db2.gz HHXIMQRDVSSYFE-GVDBMIGSSA-N 2 2 280.456 2.700 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422976693 330162235 /nfs/dbraw/zinc/16/22/35/330162235.db2.gz IQPROECMIYQPFC-OKZBNKHCSA-N 3 2 291.483 2.537 20 30 CFEDLP C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422997344 330163563 /nfs/dbraw/zinc/16/35/63/330163563.db2.gz NQLGJMDOTROCDK-BPUTZDHNSA-N 2 2 257.381 2.762 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000423111779 330170771 /nfs/dbraw/zinc/17/07/71/330170771.db2.gz WNTIHOXBKOJBKR-IRXDYDNUSA-N 2 2 274.408 2.872 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccco1 ZINC000423418980 330197761 /nfs/dbraw/zinc/19/77/61/330197761.db2.gz VKZAGFPYICQQSO-ZBFHGGJFSA-N 2 2 278.396 2.645 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000424170749 330310869 /nfs/dbraw/zinc/31/08/69/330310869.db2.gz JIWLPXFNFPQSOZ-WFASDCNBSA-N 2 2 289.404 2.615 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000491634144 332255650 /nfs/dbraw/zinc/25/56/50/332255650.db2.gz RPTUSAZDLRMIPY-QGZVFWFLSA-N 2 2 285.435 2.684 20 30 CFEDLP N#CCCCOc1cccc(C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000353690842 534615426 /nfs/dbraw/zinc/61/54/26/534615426.db2.gz SDESPUINKULCBH-WMZOPIPTSA-N 2 2 299.418 2.553 20 30 CFEDLP N#CCCCOc1cccc(C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC000353690842 534615431 /nfs/dbraw/zinc/61/54/31/534615431.db2.gz SDESPUINKULCBH-WMZOPIPTSA-N 2 2 299.418 2.553 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3C#N)CC[C@@H]21 ZINC000336452879 523834621 /nfs/dbraw/zinc/83/46/21/523834621.db2.gz ARENJFCRISNJPN-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(F)c3C#N)CC[C@@H]21 ZINC000336452879 523834623 /nfs/dbraw/zinc/83/46/23/523834623.db2.gz ARENJFCRISNJPN-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3C#N)CC[C@@H]21 ZINC000336452879 523834625 /nfs/dbraw/zinc/83/46/25/523834625.db2.gz ARENJFCRISNJPN-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3C#N)CC[C@@H]21 ZINC000336452879 523834628 /nfs/dbraw/zinc/83/46/28/523834628.db2.gz ARENJFCRISNJPN-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(F)cn2)CC1 ZINC000352685002 526452882 /nfs/dbraw/zinc/45/28/82/526452882.db2.gz QSWZAROOFZBVER-HNNXBMFYSA-N 2 2 277.387 2.912 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000334782552 526610581 /nfs/dbraw/zinc/61/05/81/526610581.db2.gz WKDQALGTYXTYRQ-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000347106911 526865462 /nfs/dbraw/zinc/86/54/62/526865462.db2.gz NXUWBXHJIHYNLZ-YOEHRIQHSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000347106911 526865466 /nfs/dbraw/zinc/86/54/66/526865466.db2.gz NXUWBXHJIHYNLZ-YOEHRIQHSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344356218 526888610 /nfs/dbraw/zinc/88/86/10/526888610.db2.gz MHSBCOFGAHOWRT-RHSMWYFYSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344356218 526888617 /nfs/dbraw/zinc/88/86/17/526888617.db2.gz MHSBCOFGAHOWRT-RHSMWYFYSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCCC[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347888587 527192158 /nfs/dbraw/zinc/19/21/58/527192158.db2.gz WHOCTRXRXYDKAZ-UHFFFAOYSA-N 2 2 253.415 2.603 20 30 CFEDLP C=CCCC[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347888587 527192162 /nfs/dbraw/zinc/19/21/62/527192162.db2.gz WHOCTRXRXYDKAZ-UHFFFAOYSA-N 2 2 253.415 2.603 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924983633 619316843 /nfs/dbraw/zinc/31/68/43/619316843.db2.gz DEDKSPQHVLPMSS-QZTJIDSGSA-N 2 2 291.483 2.633 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000926900669 620416704 /nfs/dbraw/zinc/41/67/04/620416704.db2.gz ONIBCJVNDDGXQL-GOEBONIOSA-N 2 2 288.439 2.992 20 30 CFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCC(C)(F)F)cc1 ZINC000902283294 621014332 /nfs/dbraw/zinc/01/43/32/621014332.db2.gz ZMNXUMHLPGLELM-UHFFFAOYSA-N 2 2 299.365 2.821 20 30 CFEDLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000902446632 621089480 /nfs/dbraw/zinc/08/94/80/621089480.db2.gz UUUKPIZVQPTPDR-DLBZAZTESA-N 2 2 283.419 2.913 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000902483536 621110275 /nfs/dbraw/zinc/11/02/75/621110275.db2.gz RHPILWVCEYNAME-GDBMZVCRSA-N 2 2 287.407 2.772 20 30 CFEDLP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902808846 621176208 /nfs/dbraw/zinc/17/62/08/621176208.db2.gz GFQVMIDMBBSVMB-CJNGLKHVSA-N 2 2 288.439 2.970 20 30 CFEDLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(C#N)ccn1 ZINC000902853093 621189196 /nfs/dbraw/zinc/18/91/96/621189196.db2.gz JNFOPTZINOOEIG-ZDUSSCGKSA-N 2 2 286.423 2.867 20 30 CFEDLP C#C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCO1 ZINC000902958770 621214366 /nfs/dbraw/zinc/21/43/66/621214366.db2.gz SRFMRCRJYHGNOA-JCGIZDLHSA-N 2 2 295.386 2.704 20 30 CFEDLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000902992773 621219635 /nfs/dbraw/zinc/21/96/35/621219635.db2.gz LZEYUDFAYNOSNA-LSDHHAIUSA-N 2 2 280.375 2.880 20 30 CFEDLP C=CCC[C@@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903012078 621229145 /nfs/dbraw/zinc/22/91/45/621229145.db2.gz MXTREXDDTLOWLK-ZBFHGGJFSA-N 2 2 285.391 2.850 20 30 CFEDLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903039765 621231719 /nfs/dbraw/zinc/23/17/19/621231719.db2.gz XMRWOUVIEYYBME-AWEZNQCLSA-N 2 2 274.412 2.582 20 30 CFEDLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903039765 621231723 /nfs/dbraw/zinc/23/17/23/621231723.db2.gz XMRWOUVIEYYBME-AWEZNQCLSA-N 2 2 274.412 2.582 20 30 CFEDLP CCC[N@H+](Cc1c(C)cc(C#N)cc1C)[C@H]1CC[NH2+]C1 ZINC000903423811 621379312 /nfs/dbraw/zinc/37/93/12/621379312.db2.gz ZPZVPPYAFXNQSZ-INIZCTEOSA-N 2 2 271.408 2.749 20 30 CFEDLP CCC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@H]1CC[NH2+]C1 ZINC000903423811 621379315 /nfs/dbraw/zinc/37/93/15/621379315.db2.gz ZPZVPPYAFXNQSZ-INIZCTEOSA-N 2 2 271.408 2.749 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C[NH3+] ZINC000903459772 621380474 /nfs/dbraw/zinc/38/04/74/621380474.db2.gz ZMOXFTZTEXPOPM-RISCZKNCSA-N 2 2 277.799 2.628 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C[NH3+] ZINC000903459772 621380477 /nfs/dbraw/zinc/38/04/77/621380477.db2.gz ZMOXFTZTEXPOPM-RISCZKNCSA-N 2 2 277.799 2.628 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000903463599 621382105 /nfs/dbraw/zinc/38/21/05/621382105.db2.gz GHYXYVJYYHQXEC-UHFFFAOYSA-N 2 2 283.419 2.878 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000903463599 621382106 /nfs/dbraw/zinc/38/21/06/621382106.db2.gz GHYXYVJYYHQXEC-UHFFFAOYSA-N 2 2 283.419 2.878 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955800 621490205 /nfs/dbraw/zinc/49/02/05/621490205.db2.gz ZHVDDZICUNUKCX-AWEZNQCLSA-N 2 2 296.361 2.586 20 30 CFEDLP Cc1[nH]c(/C=C/C(=O)c2cccc(C[NH+](C)C)c2)[nH+]c1C ZINC000905078130 621690171 /nfs/dbraw/zinc/69/01/71/621690171.db2.gz LMALRCFDXCABIM-CMDGGOBGSA-N 2 2 283.375 2.984 20 30 CFEDLP CCCC[NH+]=C(NCCCCn1cc[nH+]c1)NC(C)(C)C ZINC000912497358 622738612 /nfs/dbraw/zinc/73/86/12/622738612.db2.gz RTSAEVPPMNBBOX-UHFFFAOYSA-N 2 2 293.459 2.797 20 30 CFEDLP C#Cc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000825227486 623654209 /nfs/dbraw/zinc/65/42/09/623654209.db2.gz UFXITSILLUBCTK-UHFFFAOYSA-N 2 2 291.398 2.822 20 30 CFEDLP N#CCCCOc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000237819236 624980141 /nfs/dbraw/zinc/98/01/41/624980141.db2.gz FPNVMFQBVTWJMV-UHFFFAOYSA-N 2 2 298.390 2.746 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000921577695 625989668 /nfs/dbraw/zinc/98/96/68/625989668.db2.gz KKHUZYDCFMKXPI-UHFFFAOYSA-N 2 2 282.391 2.942 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921703633 626095407 /nfs/dbraw/zinc/09/54/07/626095407.db2.gz YSMIYESEAONQOY-UHFFFAOYSA-N 2 2 275.421 2.750 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000769945208 627489637 /nfs/dbraw/zinc/48/96/37/627489637.db2.gz RKRYJDCCYZAMOF-HUUCEWRRSA-N 2 2 266.348 2.654 20 30 CFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CCCC2)cc1 ZINC000771865778 627639084 /nfs/dbraw/zinc/63/90/84/627639084.db2.gz YXBGHDVJOYYLRE-UHFFFAOYSA-N 2 2 275.396 2.575 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCCO1 ZINC000775573609 628041390 /nfs/dbraw/zinc/04/13/90/628041390.db2.gz IDVGWEDBNXNIGZ-ROUUACIJSA-N 2 2 290.451 2.554 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000776169477 628110612 /nfs/dbraw/zinc/11/06/12/628110612.db2.gz NXLXGPCTAIRPKR-UHFFFAOYSA-N 2 2 281.403 2.975 20 30 CFEDLP C#C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000809684516 631261634 /nfs/dbraw/zinc/26/16/34/631261634.db2.gz DYBBKWFSAOOEEH-IBGZPJMESA-N 2 2 299.462 2.969 20 30 CFEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000810220562 631346071 /nfs/dbraw/zinc/34/60/71/631346071.db2.gz ZWXIRKPDIQEEAW-DYVFJYSZSA-N 2 2 269.392 2.619 20 30 CFEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000810220562 631346073 /nfs/dbraw/zinc/34/60/73/631346073.db2.gz ZWXIRKPDIQEEAW-DYVFJYSZSA-N 2 2 269.392 2.619 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000817916622 632733220 /nfs/dbraw/zinc/73/32/20/632733220.db2.gz ADNNZBOLLYZADD-FRFSOERESA-N 2 2 287.407 2.598 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000863540412 637688911 /nfs/dbraw/zinc/68/89/11/637688911.db2.gz ABWCCYUSIAYFNB-WMLDXEAASA-N 2 2 284.403 2.634 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OCC#N)cc1 ZINC000863543299 637690134 /nfs/dbraw/zinc/69/01/34/637690134.db2.gz XWOOXCDXVVIZEC-CZUORRHYSA-N 2 2 285.391 2.524 20 30 CFEDLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(C#N)c1O ZINC000866219497 638772785 /nfs/dbraw/zinc/77/27/85/638772785.db2.gz PRUGHCCZGMJEJN-CQSZACIVSA-N 2 2 287.407 2.790 20 30 CFEDLP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866238370 638777053 /nfs/dbraw/zinc/77/70/53/638777053.db2.gz MJUYZVBPSMLAAW-GFCCVEGCSA-N 2 2 284.363 2.510 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872035735 641567735 /nfs/dbraw/zinc/56/77/35/641567735.db2.gz YIRSWGBTJMHHON-MRXNPFEDSA-N 2 2 278.440 2.718 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873228514 642079879 /nfs/dbraw/zinc/07/98/79/642079879.db2.gz FIRLCAINDFYNBT-IRXDYDNUSA-N 2 2 272.392 2.626 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000091670047 650905248 /nfs/dbraw/zinc/90/52/48/650905248.db2.gz WJKHHUSDWBQRHX-CQSZACIVSA-N 2 2 287.407 2.503 20 30 CFEDLP C=CCCCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206216 644581953 /nfs/dbraw/zinc/58/19/53/644581953.db2.gz DCRQWAVRNGHKRQ-INIZCTEOSA-N 2 2 266.429 2.576 20 30 CFEDLP C=CCCCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206216 644581956 /nfs/dbraw/zinc/58/19/56/644581956.db2.gz DCRQWAVRNGHKRQ-INIZCTEOSA-N 2 2 266.429 2.576 20 30 CFEDLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000880472931 644726514 /nfs/dbraw/zinc/72/65/14/644726514.db2.gz JFCBTNNAEYNBGR-UHFFFAOYSA-N 2 2 299.418 2.649 20 30 CFEDLP N#CCCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568934 644769848 /nfs/dbraw/zinc/76/98/48/644769848.db2.gz HLWYLQNMKWGNOG-INIZCTEOSA-N 2 2 268.364 2.908 20 30 CFEDLP C=CCC[C@@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880572269 644770482 /nfs/dbraw/zinc/77/04/82/644770482.db2.gz ZMVAGNVJTSLYCK-IAGOWNOFSA-N 2 2 285.391 2.541 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](OC)CC2)CC1 ZINC000885973034 646791267 /nfs/dbraw/zinc/79/12/67/646791267.db2.gz OJEXYPAGMQZNRF-GOEBONIOSA-N 2 2 266.429 2.574 20 30 CFEDLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1O ZINC000924708805 648031619 /nfs/dbraw/zinc/03/16/19/648031619.db2.gz ZUFDENYPVNKNDV-XJKSGUPXSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1O ZINC000924708805 648031625 /nfs/dbraw/zinc/03/16/25/648031625.db2.gz ZUFDENYPVNKNDV-XJKSGUPXSA-N 2 2 287.407 2.646 20 30 CFEDLP CC(C)[N@@H+]1C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@@H](C)C1 ZINC000925524588 648199438 /nfs/dbraw/zinc/19/94/38/648199438.db2.gz VXFMHDOHGAFBSX-MJBXVCDLSA-N 2 2 251.418 2.633 20 30 CFEDLP CC(C)[N@H+]1C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@@H](C)C1 ZINC000925524588 648199439 /nfs/dbraw/zinc/19/94/39/648199439.db2.gz VXFMHDOHGAFBSX-MJBXVCDLSA-N 2 2 251.418 2.633 20 30 CFEDLP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1C#N ZINC000925842146 648341172 /nfs/dbraw/zinc/34/11/72/648341172.db2.gz WTZFMYIHNNEISP-LBPRGKRZSA-N 2 2 266.348 2.525 20 30 CFEDLP N#Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926681236 648573855 /nfs/dbraw/zinc/57/38/55/648573855.db2.gz XAJPIMYRAONMJI-ZWKOTPCHSA-N 2 2 283.419 2.707 20 30 CFEDLP N#Cc1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926681236 648573858 /nfs/dbraw/zinc/57/38/58/648573858.db2.gz XAJPIMYRAONMJI-ZWKOTPCHSA-N 2 2 283.419 2.707 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C#N)CC1 ZINC000929813977 649129197 /nfs/dbraw/zinc/12/91/97/649129197.db2.gz MFJADKUXFHBNQJ-BACDZXNISA-N 2 2 275.440 2.875 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C#N)CC1 ZINC000929813977 649129200 /nfs/dbraw/zinc/12/92/00/649129200.db2.gz MFJADKUXFHBNQJ-BACDZXNISA-N 2 2 275.440 2.875 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(C#N)CC1 ZINC000929813977 649129203 /nfs/dbraw/zinc/12/92/03/649129203.db2.gz MFJADKUXFHBNQJ-BACDZXNISA-N 2 2 275.440 2.875 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C#N)CC1 ZINC000929813977 649129204 /nfs/dbraw/zinc/12/92/04/649129204.db2.gz MFJADKUXFHBNQJ-BACDZXNISA-N 2 2 275.440 2.875 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1Cl ZINC000328002681 775696206 /nfs/dbraw/zinc/69/62/06/775696206.db2.gz OEBWWDPIVZTFNJ-CYBMUJFWSA-N 2 2 264.800 2.946 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1Cl ZINC000328002681 775696213 /nfs/dbraw/zinc/69/62/13/775696213.db2.gz OEBWWDPIVZTFNJ-CYBMUJFWSA-N 2 2 264.800 2.946 20 30 CFEDLP N#C[C@H]1CC[C@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC001167844958 776623241 /nfs/dbraw/zinc/62/32/41/776623241.db2.gz FMFQOLMJWXXLBO-DJIMGWMZSA-N 2 2 298.434 2.714 20 30 CFEDLP N#C[C@H]1CC[C@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC001167844958 776623249 /nfs/dbraw/zinc/62/32/49/776623249.db2.gz FMFQOLMJWXXLBO-DJIMGWMZSA-N 2 2 298.434 2.714 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204937531 776973267 /nfs/dbraw/zinc/97/32/67/776973267.db2.gz DFUWMZMHIFUASG-INIZCTEOSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204937531 776973269 /nfs/dbraw/zinc/97/32/69/776973269.db2.gz DFUWMZMHIFUASG-INIZCTEOSA-N 2 2 260.381 2.565 20 30 CFEDLP CC[N@H+](Cc1ccc(C#N)cc1C)C1CC[NH+](C)CC1 ZINC001233080906 777791393 /nfs/dbraw/zinc/79/13/93/777791393.db2.gz FWBFKWGBKAWKIE-UHFFFAOYSA-N 2 2 271.408 2.783 20 30 CFEDLP CC[N@@H+](Cc1ccc(C#N)cc1C)C1CC[NH+](C)CC1 ZINC001233080906 777791404 /nfs/dbraw/zinc/79/14/04/777791404.db2.gz FWBFKWGBKAWKIE-UHFFFAOYSA-N 2 2 271.408 2.783 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235179541 778405640 /nfs/dbraw/zinc/40/56/40/778405640.db2.gz RBGWUBHKTKGUCZ-SFHVURJKSA-N 2 2 268.404 2.776 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235179541 778405641 /nfs/dbraw/zinc/40/56/41/778405641.db2.gz RBGWUBHKTKGUCZ-SFHVURJKSA-N 2 2 268.404 2.776 20 30 CFEDLP C=CCCCCCCC[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235240835 778428076 /nfs/dbraw/zinc/42/80/76/778428076.db2.gz OXAPNIBOMMLAST-HOTGVXAUSA-N 2 2 266.429 2.576 20 30 CFEDLP C=CCCCCCCC[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235240835 778428080 /nfs/dbraw/zinc/42/80/80/778428080.db2.gz OXAPNIBOMMLAST-HOTGVXAUSA-N 2 2 266.429 2.576 20 30 CFEDLP CCCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235767904 778553630 /nfs/dbraw/zinc/55/36/30/778553630.db2.gz BFWYNTQNNDIRGU-LSDHHAIUSA-N 2 2 284.444 2.559 20 30 CFEDLP CCCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235767904 778553633 /nfs/dbraw/zinc/55/36/33/778553633.db2.gz BFWYNTQNNDIRGU-LSDHHAIUSA-N 2 2 284.444 2.559 20 30 CFEDLP C#CC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)[C@@H]1CCc2ccccc21 ZINC001235834793 778574088 /nfs/dbraw/zinc/57/40/88/778574088.db2.gz OXNMNIUTAKKHLX-FUHWJXTLSA-N 2 2 298.430 2.724 20 30 CFEDLP C#CC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)[C@@H]1CCc2ccccc21 ZINC001235834793 778574091 /nfs/dbraw/zinc/57/40/91/778574091.db2.gz OXNMNIUTAKKHLX-FUHWJXTLSA-N 2 2 298.430 2.724 20 30 CFEDLP C#CCCC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388578 778798432 /nfs/dbraw/zinc/79/84/32/778798432.db2.gz MOQOERVALLXONL-QGZVFWFLSA-N 2 2 274.383 2.793 20 30 CFEDLP C#CCCC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388578 778798438 /nfs/dbraw/zinc/79/84/38/778798438.db2.gz MOQOERVALLXONL-QGZVFWFLSA-N 2 2 274.383 2.793 20 30 CFEDLP CC(C)C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236474316 778842254 /nfs/dbraw/zinc/84/22/54/778842254.db2.gz QSRDEHSCDVSRTO-QGZVFWFLSA-N 2 2 271.408 2.768 20 30 CFEDLP CC(C)C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236474316 778842263 /nfs/dbraw/zinc/84/22/63/778842263.db2.gz QSRDEHSCDVSRTO-QGZVFWFLSA-N 2 2 271.408 2.768 20 30 CFEDLP C[NH+]1CCC([N@H+](Cc2ccnc(C#N)c2)C2CCCC2)CC1 ZINC001237462362 779112545 /nfs/dbraw/zinc/11/25/45/779112545.db2.gz HGQMZOULVJGCMM-UHFFFAOYSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC([N@@H+](Cc2ccnc(C#N)c2)C2CCCC2)CC1 ZINC001237462362 779112551 /nfs/dbraw/zinc/11/25/51/779112551.db2.gz HGQMZOULVJGCMM-UHFFFAOYSA-N 2 2 298.434 2.792 20 30 CFEDLP N#Cc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241658584 781052061 /nfs/dbraw/zinc/05/20/61/781052061.db2.gz HGWGAJXMWBJXRA-GOSISDBHSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001241658584 781052068 /nfs/dbraw/zinc/05/20/68/781052068.db2.gz HGWGAJXMWBJXRA-GOSISDBHSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)ccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242583277 781616733 /nfs/dbraw/zinc/61/67/33/781616733.db2.gz RYZGUTKAZBDMNJ-UHFFFAOYSA-N 2 2 292.317 2.699 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594522474 349440874 /nfs/dbraw/zinc/44/08/74/349440874.db2.gz YKROZSBZKXEEKL-IAGOWNOFSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594522474 349440876 /nfs/dbraw/zinc/44/08/76/349440876.db2.gz YKROZSBZKXEEKL-IAGOWNOFSA-N 2 2 269.392 2.665 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1C#N ZINC000594523144 349441791 /nfs/dbraw/zinc/44/17/91/349441791.db2.gz OELSPMJXPBPHOD-MSOLQXFVSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1C#N ZINC000594523144 349441794 /nfs/dbraw/zinc/44/17/94/349441794.db2.gz OELSPMJXPBPHOD-MSOLQXFVSA-N 2 2 283.419 2.973 20 30 CFEDLP C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000594585104 349452526 /nfs/dbraw/zinc/45/25/26/349452526.db2.gz LKOBNJDEAUNEIU-CZUORRHYSA-N 2 2 269.392 2.668 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594931941 349515903 /nfs/dbraw/zinc/51/59/03/349515903.db2.gz JYMPDJVYAAFBHU-KBXCAEBGSA-N 2 2 295.430 2.814 20 30 CFEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594931941 349515908 /nfs/dbraw/zinc/51/59/08/349515908.db2.gz JYMPDJVYAAFBHU-KBXCAEBGSA-N 2 2 295.430 2.814 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594931944 349515979 /nfs/dbraw/zinc/51/59/79/349515979.db2.gz JYMPDJVYAAFBHU-RDTXWAMCSA-N 2 2 295.430 2.814 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594931944 349515981 /nfs/dbraw/zinc/51/59/81/349515981.db2.gz JYMPDJVYAAFBHU-RDTXWAMCSA-N 2 2 295.430 2.814 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[N@@H+]1C1CC1 ZINC000594930858 349515029 /nfs/dbraw/zinc/51/50/29/349515029.db2.gz BAXOVNMNGZGKHN-YOEHRIQHSA-N 2 2 295.430 2.957 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[N@H+]1C1CC1 ZINC000594930858 349515032 /nfs/dbraw/zinc/51/50/32/349515032.db2.gz BAXOVNMNGZGKHN-YOEHRIQHSA-N 2 2 295.430 2.957 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC000595092189 349579599 /nfs/dbraw/zinc/57/95/99/349579599.db2.gz YQWZXHZGESCBML-UHFFFAOYSA-N 2 2 275.440 2.924 20 30 CFEDLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C#N)cc1 ZINC000414126707 529608104 /nfs/dbraw/zinc/60/81/04/529608104.db2.gz OUAOGICCMMUOAJ-INIZCTEOSA-N 2 2 268.364 2.575 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000295063153 199325621 /nfs/dbraw/zinc/32/56/21/199325621.db2.gz RKEWBGBTNYNEGA-GFCCVEGCSA-N 2 2 266.335 2.571 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000295063153 199325622 /nfs/dbraw/zinc/32/56/22/199325622.db2.gz RKEWBGBTNYNEGA-GFCCVEGCSA-N 2 2 266.335 2.571 20 30 CFEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000596649374 349967982 /nfs/dbraw/zinc/96/79/82/349967982.db2.gz ZLGZDQNJAPGCQI-DZOHQFGASA-N 2 2 283.419 2.804 20 30 CFEDLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)Cc2ccccc2C1 ZINC000361432480 348507123 /nfs/dbraw/zinc/50/71/23/348507123.db2.gz OTWPJMSEHVFFRY-QAPCUYQASA-N 2 2 297.446 2.758 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000589338841 348828623 /nfs/dbraw/zinc/82/86/23/348828623.db2.gz KNVTVHIHEMUKDD-FUHWJXTLSA-N 2 2 281.403 2.619 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000589338841 348828627 /nfs/dbraw/zinc/82/86/27/348828627.db2.gz KNVTVHIHEMUKDD-FUHWJXTLSA-N 2 2 281.403 2.619 20 30 CFEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000591573270 349030553 /nfs/dbraw/zinc/03/05/53/349030553.db2.gz CYOKUKABUWBIDT-XHDPSFHLSA-N 2 2 277.799 2.832 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000591582641 349032795 /nfs/dbraw/zinc/03/27/95/349032795.db2.gz RPXSGKLYMZZFLY-DOTOQJQBSA-N 2 2 269.392 2.667 20 30 CFEDLP C[C@@H]([NH2+]Cc1ccncc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000592098996 349082566 /nfs/dbraw/zinc/08/25/66/349082566.db2.gz IVIVNWHJYQCXFZ-ZBFHGGJFSA-N 2 2 298.434 2.696 20 30 CFEDLP C[C@@H]([NH2+]Cc1ccncc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000592098996 349082570 /nfs/dbraw/zinc/08/25/70/349082570.db2.gz IVIVNWHJYQCXFZ-ZBFHGGJFSA-N 2 2 298.434 2.696 20 30 CFEDLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ccc(C#N)s3)cn21 ZINC000592380547 349112827 /nfs/dbraw/zinc/11/28/27/349112827.db2.gz VZLNKHKXPYOMBS-UHFFFAOYSA-N 2 2 296.399 2.908 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090721405 180031798 /nfs/dbraw/zinc/03/17/98/180031798.db2.gz STKIWLIQDKYINU-GOEBONIOSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090721405 180031800 /nfs/dbraw/zinc/03/18/00/180031800.db2.gz STKIWLIQDKYINU-GOEBONIOSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000271351696 191090689 /nfs/dbraw/zinc/09/06/89/191090689.db2.gz DFVWJDKXYPYWRW-MRXNPFEDSA-N 2 2 299.418 2.664 20 30 CFEDLP C=CC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000271351696 191090691 /nfs/dbraw/zinc/09/06/91/191090691.db2.gz DFVWJDKXYPYWRW-MRXNPFEDSA-N 2 2 299.418 2.664 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599000784 350357598 /nfs/dbraw/zinc/35/75/98/350357598.db2.gz VQFUEWWLGKEXET-OAHLLOKOSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000599000784 350357600 /nfs/dbraw/zinc/35/76/00/350357600.db2.gz VQFUEWWLGKEXET-OAHLLOKOSA-N 2 2 263.429 2.923 20 30 CFEDLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1C#N ZINC000600704008 350598202 /nfs/dbraw/zinc/59/82/02/350598202.db2.gz NSEBGFAORWPACF-CZUORRHYSA-N 2 2 257.381 2.568 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1C#N ZINC000600704008 350598203 /nfs/dbraw/zinc/59/82/03/350598203.db2.gz NSEBGFAORWPACF-CZUORRHYSA-N 2 2 257.381 2.568 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000602514301 350911202 /nfs/dbraw/zinc/91/12/02/350911202.db2.gz JAPODNVTNFSFHV-WXLSXGNJSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000602514301 350911207 /nfs/dbraw/zinc/91/12/07/350911207.db2.gz JAPODNVTNFSFHV-WXLSXGNJSA-N 2 2 263.429 2.779 20 30 CFEDLP C[NH+](C)C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602515397 350911618 /nfs/dbraw/zinc/91/16/18/350911618.db2.gz XIZTWTNBQXWCCT-BDVYOWHSSA-N 2 2 271.408 2.961 20 30 CFEDLP N#CC1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000602710478 350992973 /nfs/dbraw/zinc/99/29/73/350992973.db2.gz LOXJQKKSPDMBGD-CKUJCDMFSA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000602710478 350992975 /nfs/dbraw/zinc/99/29/75/350992975.db2.gz LOXJQKKSPDMBGD-CKUJCDMFSA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(C#N)CC1 ZINC000602719480 350999113 /nfs/dbraw/zinc/99/91/13/350999113.db2.gz YTACJCIYSBEXSN-QQFBHYJXSA-N 2 2 263.429 2.779 20 30 CFEDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602980606 351082744 /nfs/dbraw/zinc/08/27/44/351082744.db2.gz SFVJHJSVHRZBKJ-NVXWUHKLSA-N 2 2 280.375 2.996 20 30 CFEDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602980606 351082746 /nfs/dbraw/zinc/08/27/46/351082746.db2.gz SFVJHJSVHRZBKJ-NVXWUHKLSA-N 2 2 280.375 2.996 20 30 CFEDLP CC(C)(C#N)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000612588169 351840386 /nfs/dbraw/zinc/84/03/86/351840386.db2.gz QVWFEECTMANXBG-UHFFFAOYSA-N 2 2 260.366 2.573 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000123462461 187093396 /nfs/dbraw/zinc/09/33/96/187093396.db2.gz VQMBRVGVQDORTP-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000123462461 187093397 /nfs/dbraw/zinc/09/33/97/187093397.db2.gz VQMBRVGVQDORTP-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)CC[NH+]1C ZINC000123462461 187093398 /nfs/dbraw/zinc/09/33/98/187093398.db2.gz VQMBRVGVQDORTP-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)CC[NH+]1C ZINC000123462461 187093399 /nfs/dbraw/zinc/09/33/99/187093399.db2.gz VQMBRVGVQDORTP-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C#CCCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000271540646 191202434 /nfs/dbraw/zinc/20/24/34/191202434.db2.gz JYRMXTYIUUEINB-UHFFFAOYSA-N 2 2 258.409 2.900 20 30 CFEDLP C#CCCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000271540646 191202436 /nfs/dbraw/zinc/20/24/36/191202436.db2.gz JYRMXTYIUUEINB-UHFFFAOYSA-N 2 2 258.409 2.900 20 30 CFEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000618567764 352811380 /nfs/dbraw/zinc/81/13/80/352811380.db2.gz DGLWQQQCHUEQBI-LSDHHAIUSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156452336 188263492 /nfs/dbraw/zinc/26/34/92/188263492.db2.gz IEYOAFNTWCHQAJ-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156452336 188263493 /nfs/dbraw/zinc/26/34/93/188263493.db2.gz IEYOAFNTWCHQAJ-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000294854644 199215667 /nfs/dbraw/zinc/21/56/67/199215667.db2.gz BPEGKFKSTPSSHF-LLVKDONJSA-N 2 2 284.325 2.710 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000294854644 199215668 /nfs/dbraw/zinc/21/56/68/199215668.db2.gz BPEGKFKSTPSSHF-LLVKDONJSA-N 2 2 284.325 2.710 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C#N)c1 ZINC000177332141 189044339 /nfs/dbraw/zinc/04/43/39/189044339.db2.gz CEPNFXMPAJLLKZ-SJORKVTESA-N 2 2 269.392 2.617 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C#N)c1 ZINC000177332141 189044340 /nfs/dbraw/zinc/04/43/40/189044340.db2.gz CEPNFXMPAJLLKZ-SJORKVTESA-N 2 2 269.392 2.617 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC000177332141 189044341 /nfs/dbraw/zinc/04/43/41/189044341.db2.gz CEPNFXMPAJLLKZ-SJORKVTESA-N 2 2 269.392 2.617 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC000177332141 189044342 /nfs/dbraw/zinc/04/43/42/189044342.db2.gz CEPNFXMPAJLLKZ-SJORKVTESA-N 2 2 269.392 2.617 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000177912026 189079141 /nfs/dbraw/zinc/07/91/41/189079141.db2.gz LSTQPXKIWMCUAP-CQSZACIVSA-N 2 2 274.408 2.996 20 30 CFEDLP C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101629 189346619 /nfs/dbraw/zinc/34/66/19/189346619.db2.gz UNUINPFKJTUYSV-KBPBESRZSA-N 2 2 287.407 2.894 20 30 CFEDLP C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101629 189346620 /nfs/dbraw/zinc/34/66/20/189346620.db2.gz UNUINPFKJTUYSV-KBPBESRZSA-N 2 2 287.407 2.894 20 30 CFEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000264118717 383697902 /nfs/dbraw/zinc/69/79/02/383697902.db2.gz UHDYRTWBSVUGND-AWEZNQCLSA-N 2 2 296.484 2.788 20 30 CFEDLP CC[C@H](C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264149700 383700525 /nfs/dbraw/zinc/70/05/25/383700525.db2.gz YZRXQVKVABGZDU-UONOGXRCSA-N 2 2 292.427 2.509 20 30 CFEDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)o1 ZINC000135132599 378088214 /nfs/dbraw/zinc/08/82/14/378088214.db2.gz VHQKCNRHWZWAPE-CYBMUJFWSA-N 2 2 261.369 2.505 20 30 CFEDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)o1 ZINC000135132599 378088220 /nfs/dbraw/zinc/08/82/20/378088220.db2.gz VHQKCNRHWZWAPE-CYBMUJFWSA-N 2 2 261.369 2.505 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151113896 378295584 /nfs/dbraw/zinc/29/55/84/378295584.db2.gz PGPOBXHRAXUGIZ-WBVHZDCISA-N 2 2 298.430 2.804 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151113896 378295589 /nfs/dbraw/zinc/29/55/89/378295589.db2.gz PGPOBXHRAXUGIZ-WBVHZDCISA-N 2 2 298.430 2.804 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000159041971 378681386 /nfs/dbraw/zinc/68/13/86/378681386.db2.gz XUDJRBTXBRHQNT-CQSZACIVSA-N 2 2 259.397 2.773 20 30 CFEDLP CC(C)[NH+](CCC[NH2+]Cc1ccc(C#N)o1)C(C)C ZINC000173571507 379755097 /nfs/dbraw/zinc/75/50/97/379755097.db2.gz XIACRVDRVMOAHM-UHFFFAOYSA-N 2 2 263.385 2.750 20 30 CFEDLP Cn1c(CCC[NH2+]Cc2ccc(C#N)o2)[nH+]c2ccccc21 ZINC000174414142 379880752 /nfs/dbraw/zinc/88/07/52/379880752.db2.gz ZPJRNTSGDYJCRV-UHFFFAOYSA-N 2 2 294.358 2.760 20 30 CFEDLP N#CC1(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000335815363 379934641 /nfs/dbraw/zinc/93/46/41/379934641.db2.gz QODGJDGGOYMVGE-AWEZNQCLSA-N 2 2 284.407 2.703 20 30 CFEDLP N#CC1(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000335815363 379934648 /nfs/dbraw/zinc/93/46/48/379934648.db2.gz QODGJDGGOYMVGE-AWEZNQCLSA-N 2 2 284.407 2.703 20 30 CFEDLP C[NH+]1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177398910 380338182 /nfs/dbraw/zinc/33/81/82/380338182.db2.gz RSXPAPROJCTOGQ-UHFFFAOYSA-N 2 2 296.336 2.741 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)s1 ZINC000367991944 380876672 /nfs/dbraw/zinc/87/66/72/380876672.db2.gz FKBWEPQECWXDJB-UWVGGRQHSA-N 2 2 272.377 2.551 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)s1 ZINC000367991944 380876686 /nfs/dbraw/zinc/87/66/86/380876686.db2.gz FKBWEPQECWXDJB-UWVGGRQHSA-N 2 2 272.377 2.551 20 30 CFEDLP C#CC(C)(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000279244626 194350011 /nfs/dbraw/zinc/35/00/11/194350011.db2.gz KMJXAHAIGBJKSD-UHFFFAOYSA-N 2 2 253.349 2.716 20 30 CFEDLP C#CC(C)(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000279244626 194350013 /nfs/dbraw/zinc/35/00/13/194350013.db2.gz KMJXAHAIGBJKSD-UHFFFAOYSA-N 2 2 253.349 2.716 20 30 CFEDLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000358567845 380933767 /nfs/dbraw/zinc/93/37/67/380933767.db2.gz JYQLTBCEYCRUKH-CYBMUJFWSA-N 2 2 275.371 2.834 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000289569936 381047578 /nfs/dbraw/zinc/04/75/78/381047578.db2.gz SKIRJYQFDFEHFL-IBGZPJMESA-N 2 2 295.430 2.770 20 30 CFEDLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(C#N)c1 ZINC000368501085 381047928 /nfs/dbraw/zinc/04/79/28/381047928.db2.gz ZTIPIUSBVZWIJD-ZDUSSCGKSA-N 2 2 280.375 2.942 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1[nH+]ccn1C)C(C)C ZINC000182371537 381075814 /nfs/dbraw/zinc/07/58/14/381075814.db2.gz MMLNETXDXWRDBE-CVEARBPZSA-N 2 2 290.455 2.769 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)c(F)c1 ZINC000347721868 381314775 /nfs/dbraw/zinc/31/47/75/381314775.db2.gz OFUWBBIWSQXVRO-UHFFFAOYSA-N 2 2 294.333 2.677 20 30 CFEDLP C[N@H+](CC1(C#N)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000343311939 381674278 /nfs/dbraw/zinc/67/42/78/381674278.db2.gz QEEUMRGOHGBHNP-UHFFFAOYSA-N 2 2 283.419 2.887 20 30 CFEDLP C[N@@H+](CC1(C#N)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000343311939 381674288 /nfs/dbraw/zinc/67/42/88/381674288.db2.gz QEEUMRGOHGBHNP-UHFFFAOYSA-N 2 2 283.419 2.887 20 30 CFEDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(C#N)cs1 ZINC000349351074 381903174 /nfs/dbraw/zinc/90/31/74/381903174.db2.gz QDBMSPIGQPLIIN-UHFFFAOYSA-N 2 2 277.437 2.928 20 30 CFEDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C#N)cs1 ZINC000349351074 381903184 /nfs/dbraw/zinc/90/31/84/381903184.db2.gz QDBMSPIGQPLIIN-UHFFFAOYSA-N 2 2 277.437 2.928 20 30 CFEDLP C=C(C)CC[N@@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000352405533 382312728 /nfs/dbraw/zinc/31/27/28/382312728.db2.gz IIMRNSQBSYRYTL-IAGOWNOFSA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[N@H+](C)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000352405533 382312729 /nfs/dbraw/zinc/31/27/29/382312729.db2.gz IIMRNSQBSYRYTL-IAGOWNOFSA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[NH+](C)C[C@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000352405533 382312732 /nfs/dbraw/zinc/31/27/32/382312732.db2.gz IIMRNSQBSYRYTL-IAGOWNOFSA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[NH+](C)C[C@H]1CC[N@@H+](C)[C@@H]1c1cccnc1 ZINC000352405533 382312734 /nfs/dbraw/zinc/31/27/34/382312734.db2.gz IIMRNSQBSYRYTL-IAGOWNOFSA-N 2 2 273.424 2.972 20 30 CFEDLP C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419807728 382323206 /nfs/dbraw/zinc/32/32/06/382323206.db2.gz MTPFDPSLUSCYHN-INIZCTEOSA-N 2 2 298.434 2.763 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419807730 382323365 /nfs/dbraw/zinc/32/33/65/382323365.db2.gz MTPFDPSLUSCYHN-MRXNPFEDSA-N 2 2 298.434 2.763 20 30 CFEDLP C=CCOCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000293913416 382334989 /nfs/dbraw/zinc/33/49/89/382334989.db2.gz XCVSFRWZQNYLLX-UHFFFAOYSA-N 2 2 288.435 2.785 20 30 CFEDLP C=CCOCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000293913416 382334990 /nfs/dbraw/zinc/33/49/90/382334990.db2.gz XCVSFRWZQNYLLX-UHFFFAOYSA-N 2 2 288.435 2.785 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000365624200 382425442 /nfs/dbraw/zinc/42/54/42/382425442.db2.gz GSFYGGMINCVWPZ-MRXNPFEDSA-N 2 2 280.375 2.671 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000365624200 382425446 /nfs/dbraw/zinc/42/54/46/382425446.db2.gz GSFYGGMINCVWPZ-MRXNPFEDSA-N 2 2 280.375 2.671 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C[C@@H]1C ZINC000353747258 382623270 /nfs/dbraw/zinc/62/32/70/382623270.db2.gz FLFZYGKKVKLHCM-WMLDXEAASA-N 2 2 271.408 2.863 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C[C@@H]1C ZINC000353747258 382623273 /nfs/dbraw/zinc/62/32/73/382623273.db2.gz FLFZYGKKVKLHCM-WMLDXEAASA-N 2 2 271.408 2.863 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C[C@@H]1C ZINC000353747258 382623276 /nfs/dbraw/zinc/62/32/76/382623276.db2.gz FLFZYGKKVKLHCM-WMLDXEAASA-N 2 2 271.408 2.863 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C[C@@H]1C ZINC000353747258 382623278 /nfs/dbraw/zinc/62/32/78/382623278.db2.gz FLFZYGKKVKLHCM-WMLDXEAASA-N 2 2 271.408 2.863 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353750940 382626274 /nfs/dbraw/zinc/62/62/74/382626274.db2.gz PBFDXXIVVIOBCQ-JSGCOSHPSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353750940 382626276 /nfs/dbraw/zinc/62/62/76/382626276.db2.gz PBFDXXIVVIOBCQ-JSGCOSHPSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353750940 382626278 /nfs/dbraw/zinc/62/62/78/382626278.db2.gz PBFDXXIVVIOBCQ-JSGCOSHPSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353750940 382626280 /nfs/dbraw/zinc/62/62/80/382626280.db2.gz PBFDXXIVVIOBCQ-JSGCOSHPSA-N 2 2 277.437 2.924 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000189979002 382648361 /nfs/dbraw/zinc/64/83/61/382648361.db2.gz JQGXLHNWDQPGHL-CQSZACIVSA-N 2 2 268.364 2.838 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000189979002 382648363 /nfs/dbraw/zinc/64/83/63/382648363.db2.gz JQGXLHNWDQPGHL-CQSZACIVSA-N 2 2 268.364 2.838 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000493874004 382906323 /nfs/dbraw/zinc/90/63/23/382906323.db2.gz NXXOCJWUCCNBNH-KRWDZBQOSA-N 2 2 286.419 2.620 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C[N@@H+]1C1CC1 ZINC000441343497 382907629 /nfs/dbraw/zinc/90/76/29/382907629.db2.gz BMNSEZBQILWSKI-PPWQZUPISA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C[N@H+]1C1CC1 ZINC000441343497 382907633 /nfs/dbraw/zinc/90/76/33/382907633.db2.gz BMNSEZBQILWSKI-PPWQZUPISA-N 2 2 261.413 2.531 20 30 CFEDLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000236709066 382910181 /nfs/dbraw/zinc/91/01/81/382910181.db2.gz ILSYCGORUFPYIU-UHFFFAOYSA-N 2 2 257.381 2.521 20 30 CFEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442816979 382958637 /nfs/dbraw/zinc/95/86/37/382958637.db2.gz FXNCOXPNLYNLIA-RVKKMQEKSA-N 2 2 298.434 2.889 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cc(C#N)cs1 ZINC000339054575 383133428 /nfs/dbraw/zinc/13/34/28/383133428.db2.gz SZELJIRTQOLDNE-UHFFFAOYSA-N 2 2 257.362 2.656 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000246640774 383088311 /nfs/dbraw/zinc/08/83/11/383088311.db2.gz SEARHSNNXTWJJL-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000246640774 383088313 /nfs/dbraw/zinc/08/83/13/383088313.db2.gz SEARHSNNXTWJJL-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC000449122044 383180100 /nfs/dbraw/zinc/18/01/00/383180100.db2.gz KFCXRJQGDHXXCY-UHFFFAOYSA-N 2 2 278.371 2.574 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2F)CC1 ZINC000339242427 383185990 /nfs/dbraw/zinc/18/59/90/383185990.db2.gz KVQMNVONUZZVNR-UHFFFAOYSA-N 2 2 278.371 2.574 20 30 CFEDLP N#CCC[C@@H](C#N)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000556482919 383151824 /nfs/dbraw/zinc/15/18/24/383151824.db2.gz SIZFFFVVDWVEAD-KRWDZBQOSA-N 2 2 296.418 2.684 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248877592 383301434 /nfs/dbraw/zinc/30/14/34/383301434.db2.gz OISNYENHTABGIF-FUHWJXTLSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248877592 383301438 /nfs/dbraw/zinc/30/14/38/383301438.db2.gz OISNYENHTABGIF-FUHWJXTLSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248877592 383301442 /nfs/dbraw/zinc/30/14/42/383301442.db2.gz OISNYENHTABGIF-FUHWJXTLSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248877592 383301445 /nfs/dbraw/zinc/30/14/45/383301445.db2.gz OISNYENHTABGIF-FUHWJXTLSA-N 2 2 270.420 2.700 20 30 CFEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248935074 383309128 /nfs/dbraw/zinc/30/91/28/383309128.db2.gz YFSLQXXPIGXFPS-QKPAOTATSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248935074 383309133 /nfs/dbraw/zinc/30/91/33/383309133.db2.gz YFSLQXXPIGXFPS-QKPAOTATSA-N 2 2 263.429 2.779 20 30 CFEDLP C=C(C)CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449474353 383317012 /nfs/dbraw/zinc/31/70/12/383317012.db2.gz JGLDGDODMKZAFN-UHFFFAOYSA-N 2 2 259.397 2.602 20 30 CFEDLP N#CCCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000433026813 383752966 /nfs/dbraw/zinc/75/29/66/383752966.db2.gz IATIKNWJRXFDPU-INIZCTEOSA-N 2 2 268.364 2.908 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000277337867 384270843 /nfs/dbraw/zinc/27/08/43/384270843.db2.gz VYNFIRHVUQYWNQ-HNNXBMFYSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000277337867 384270848 /nfs/dbraw/zinc/27/08/48/384270848.db2.gz VYNFIRHVUQYWNQ-HNNXBMFYSA-N 2 2 275.371 2.613 20 30 CFEDLP C#Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000289418095 197337776 /nfs/dbraw/zinc/33/77/76/197337776.db2.gz UKYZZUBIYJHYCA-UHFFFAOYSA-N 2 2 265.360 2.771 20 30 CFEDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269456800 384759932 /nfs/dbraw/zinc/75/99/32/384759932.db2.gz XAJGXYHUVVGPFC-AWEZNQCLSA-N 2 2 275.371 2.519 20 30 CFEDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269456800 384759935 /nfs/dbraw/zinc/75/99/35/384759935.db2.gz XAJGXYHUVVGPFC-AWEZNQCLSA-N 2 2 275.371 2.519 20 30 CFEDLP CC1(C)C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272059407 385438518 /nfs/dbraw/zinc/43/85/18/385438518.db2.gz OWUJDYCDBYXHKS-QGZVFWFLSA-N 2 2 283.419 2.911 20 30 CFEDLP C#CC[N@@H+](Cc1c[nH+]c(C)n1-c1ccccc1)C1CC1 ZINC000274128912 385723919 /nfs/dbraw/zinc/72/39/19/385723919.db2.gz OTOJYDGGHVQGHO-UHFFFAOYSA-N 2 2 265.360 2.778 20 30 CFEDLP C#CC[N@H+](Cc1c[nH+]c(C)n1-c1ccccc1)C1CC1 ZINC000274128912 385723926 /nfs/dbraw/zinc/72/39/26/385723926.db2.gz OTOJYDGGHVQGHO-UHFFFAOYSA-N 2 2 265.360 2.778 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC000268837395 132074985 /nfs/dbraw/zinc/07/49/85/132074985.db2.gz BOYGJIMZDSTSKV-UHFFFAOYSA-N 2 2 299.462 2.895 20 30 CFEDLP C=CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372519765 393451302 /nfs/dbraw/zinc/45/13/02/393451302.db2.gz CQEBCFYVHTWRCJ-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C=CCCC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372519765 393451303 /nfs/dbraw/zinc/45/13/03/393451303.db2.gz CQEBCFYVHTWRCJ-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C=CCCC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372519765 393451305 /nfs/dbraw/zinc/45/13/05/393451305.db2.gz CQEBCFYVHTWRCJ-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C=CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372519765 393451307 /nfs/dbraw/zinc/45/13/07/393451307.db2.gz CQEBCFYVHTWRCJ-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000184348843 393527873 /nfs/dbraw/zinc/52/78/73/393527873.db2.gz XBEVBYJUPWGOFE-AWEZNQCLSA-N 2 2 259.397 2.691 20 30 CFEDLP C=CCOc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000195251210 393735297 /nfs/dbraw/zinc/73/52/97/393735297.db2.gz NVVSYPUFOWOCKP-OAHLLOKOSA-N 2 2 285.391 2.874 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000079461385 393717924 /nfs/dbraw/zinc/71/79/24/393717924.db2.gz IILUZBSZUDXEOP-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000079461385 393717927 /nfs/dbraw/zinc/71/79/27/393717927.db2.gz IILUZBSZUDXEOP-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000079461385 393717931 /nfs/dbraw/zinc/71/79/31/393717931.db2.gz IILUZBSZUDXEOP-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000079461385 393717934 /nfs/dbraw/zinc/71/79/34/393717934.db2.gz IILUZBSZUDXEOP-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)C1CC1 ZINC000120779653 393940580 /nfs/dbraw/zinc/94/05/80/393940580.db2.gz GSDYWGOERAFAAT-CABCVRRESA-N 2 2 259.397 2.841 20 30 CFEDLP C[C@@H](C#N)C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346171645 393922731 /nfs/dbraw/zinc/92/27/31/393922731.db2.gz ACJVMEMYBBTYEY-NSHDSACASA-N 2 2 260.366 2.525 20 30 CFEDLP C[C@@H](C#N)C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346171645 393922733 /nfs/dbraw/zinc/92/27/33/393922733.db2.gz ACJVMEMYBBTYEY-NSHDSACASA-N 2 2 260.366 2.525 20 30 CFEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000448030003 394154422 /nfs/dbraw/zinc/15/44/22/394154422.db2.gz RKPBGYWHPGTJSZ-ZNMIVQPWSA-N 2 2 263.429 2.779 20 30 CFEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000448030003 394154426 /nfs/dbraw/zinc/15/44/26/394154426.db2.gz RKPBGYWHPGTJSZ-ZNMIVQPWSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C#N)c(F)c1 ZINC000530216633 394485276 /nfs/dbraw/zinc/48/52/76/394485276.db2.gz CMIJZZAWPYDGSG-XHDPSFHLSA-N 2 2 273.355 2.633 20 30 CFEDLP N#Cc1csc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000536669849 394568710 /nfs/dbraw/zinc/56/87/10/394568710.db2.gz BSSLGPKVPVNGRV-UHFFFAOYSA-N 2 2 272.377 2.722 20 30 CFEDLP N#Cc1csc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000536669849 394568716 /nfs/dbraw/zinc/56/87/16/394568716.db2.gz BSSLGPKVPVNGRV-UHFFFAOYSA-N 2 2 272.377 2.722 20 30 CFEDLP C=C(C)C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000328648943 397646973 /nfs/dbraw/zinc/64/69/73/397646973.db2.gz UUSAHAHZJKWKLP-DOTOQJQBSA-N 2 2 290.455 2.701 20 30 CFEDLP C=C(C)C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000328648943 397646977 /nfs/dbraw/zinc/64/69/77/397646977.db2.gz UUSAHAHZJKWKLP-DOTOQJQBSA-N 2 2 290.455 2.701 20 30 CFEDLP C=C(C)C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000328648943 397646982 /nfs/dbraw/zinc/64/69/82/397646982.db2.gz UUSAHAHZJKWKLP-DOTOQJQBSA-N 2 2 290.455 2.701 20 30 CFEDLP C=C(C)C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000328648943 397646986 /nfs/dbraw/zinc/64/69/86/397646986.db2.gz UUSAHAHZJKWKLP-DOTOQJQBSA-N 2 2 290.455 2.701 20 30 CFEDLP N#Cc1ccc(C2=CC[N@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000374301069 157095847 /nfs/dbraw/zinc/09/58/47/157095847.db2.gz HQABQXZWQWIFNC-UHFFFAOYSA-N 2 2 278.359 2.544 20 30 CFEDLP N#Cc1ccc(C2=CC[N@@H+](CCn3cc[nH+]c3)CC2)cc1 ZINC000374301069 157095850 /nfs/dbraw/zinc/09/58/50/157095850.db2.gz HQABQXZWQWIFNC-UHFFFAOYSA-N 2 2 278.359 2.544 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000376046068 157318182 /nfs/dbraw/zinc/31/81/82/157318182.db2.gz YISMIEABCRMMJS-GFCCVEGCSA-N 2 2 286.404 2.733 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000376046068 157318185 /nfs/dbraw/zinc/31/81/85/157318185.db2.gz YISMIEABCRMMJS-GFCCVEGCSA-N 2 2 286.404 2.733 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000187977534 260068905 /nfs/dbraw/zinc/06/89/05/260068905.db2.gz PHCHPRNOAPIXMF-AWEZNQCLSA-N 2 2 276.399 2.997 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000651670416 413558079 /nfs/dbraw/zinc/55/80/79/413558079.db2.gz HIKZBKCBEFVLKL-VQHPVUNQSA-N 2 2 280.456 2.820 20 30 CFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C1 ZINC000651727829 413594868 /nfs/dbraw/zinc/59/48/68/413594868.db2.gz CETGFZWZLYZEFR-RBSFLKMASA-N 2 2 268.470 2.758 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C1 ZINC000651727826 413595148 /nfs/dbraw/zinc/59/51/48/413595148.db2.gz CETGFZWZLYZEFR-ILXRZTDVSA-N 2 2 268.470 2.758 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657658384 413827452 /nfs/dbraw/zinc/82/74/52/413827452.db2.gz VISJECMDHBTFCY-SJLPKXTDSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657658384 413827461 /nfs/dbraw/zinc/82/74/61/413827461.db2.gz VISJECMDHBTFCY-SJLPKXTDSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000657753273 413904851 /nfs/dbraw/zinc/90/48/51/413904851.db2.gz WDOYPQLOWVLDKX-DJIMGWMZSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)CCCOC ZINC000657888107 414027740 /nfs/dbraw/zinc/02/77/40/414027740.db2.gz JLGIAHUZLWIHIA-HOTGVXAUSA-N 2 2 268.445 2.679 20 30 CFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)CCCOC ZINC000657888107 414027746 /nfs/dbraw/zinc/02/77/46/414027746.db2.gz JLGIAHUZLWIHIA-HOTGVXAUSA-N 2 2 268.445 2.679 20 30 CFEDLP C=CC[C@]1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCC[NH2+]1 ZINC000662708145 414596296 /nfs/dbraw/zinc/59/62/96/414596296.db2.gz PGLSAGNLZPJZMZ-QGZVFWFLSA-N 2 2 296.374 2.714 20 30 CFEDLP C=CC[C@@]1(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)CCC[NH2+]1 ZINC000662708144 414596921 /nfs/dbraw/zinc/59/69/21/414596921.db2.gz PGLSAGNLZPJZMZ-KRWDZBQOSA-N 2 2 296.374 2.714 20 30 CFEDLP C=CC[C@@]1(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CCC[NH2+]1 ZINC000662492489 414551932 /nfs/dbraw/zinc/55/19/32/414551932.db2.gz MCFGFMIVHYXQOJ-INIZCTEOSA-N 2 2 284.363 2.508 20 30 CFEDLP Cc1cc[nH+]cc1CCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000347862083 226386210 /nfs/dbraw/zinc/38/62/10/226386210.db2.gz VEETVLLMZWQHEF-ZDUSSCGKSA-N 2 2 257.381 2.947 20 30 CFEDLP Cc1cc[nH+]cc1CCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000347862083 226386211 /nfs/dbraw/zinc/38/62/11/226386211.db2.gz VEETVLLMZWQHEF-ZDUSSCGKSA-N 2 2 257.381 2.947 20 30 CFEDLP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037405 260206798 /nfs/dbraw/zinc/20/67/98/260206798.db2.gz VHLCKTQGUXUHKA-AOCRQIFASA-N 2 2 283.419 2.684 20 30 CFEDLP CC[N@H+]1CCC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037405 260206800 /nfs/dbraw/zinc/20/68/00/260206800.db2.gz VHLCKTQGUXUHKA-AOCRQIFASA-N 2 2 283.419 2.684 20 30 CFEDLP N#CCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000081070718 260330370 /nfs/dbraw/zinc/33/03/70/260330370.db2.gz ZLNKYAZDTAZBGK-UHFFFAOYSA-N 2 2 280.375 2.998 20 30 CFEDLP N#CCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000081070718 260330372 /nfs/dbraw/zinc/33/03/72/260330372.db2.gz ZLNKYAZDTAZBGK-UHFFFAOYSA-N 2 2 280.375 2.998 20 30 CFEDLP N#C[C@H]1CCC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000185711333 262067831 /nfs/dbraw/zinc/06/78/31/262067831.db2.gz WMKMDDVVYIIGMM-KBPBESRZSA-N 2 2 268.364 2.549 20 30 CFEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185792173 262071796 /nfs/dbraw/zinc/07/17/96/262071796.db2.gz DPDOYQUWPUCASG-BZSNNMDCSA-N 2 2 285.435 2.831 20 30 CFEDLP C[N@@H+]1CC[C@@H]([NH2+]CCCCC#N)[C@@H]1c1ccccc1 ZINC000284337482 263086381 /nfs/dbraw/zinc/08/63/81/263086381.db2.gz QWWWZLSIFXPNFA-CVEARBPZSA-N 2 2 257.381 2.715 20 30 CFEDLP C[N@H+]1CC[C@@H]([NH2+]CCCCC#N)[C@@H]1c1ccccc1 ZINC000284337482 263086382 /nfs/dbraw/zinc/08/63/82/263086382.db2.gz QWWWZLSIFXPNFA-CVEARBPZSA-N 2 2 257.381 2.715 20 30 CFEDLP Cc1cc(C)c(NC(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)[nH+]1 ZINC000331250351 264180931 /nfs/dbraw/zinc/18/09/31/264180931.db2.gz YMAKKSLJLOHOJP-LBPRGKRZSA-N 2 2 287.367 2.618 20 30 CFEDLP C=C[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356886059 266205538 /nfs/dbraw/zinc/20/55/38/266205538.db2.gz XKQHGIDOLZZCCS-SNVBAGLBSA-N 2 2 250.308 2.567 20 30 CFEDLP C=CCCCCC[NH+]1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000368472980 267174786 /nfs/dbraw/zinc/17/47/86/267174786.db2.gz CECJDYUNMHJMSE-SJORKVTESA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[NH+]1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000368472980 267174790 /nfs/dbraw/zinc/17/47/90/267174790.db2.gz CECJDYUNMHJMSE-SJORKVTESA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[N@H+]1CCC[C@@H]1C[NH+]1CCC[C@H]1CO ZINC000368472980 267174792 /nfs/dbraw/zinc/17/47/92/267174792.db2.gz CECJDYUNMHJMSE-SJORKVTESA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCC[C@H]1CO ZINC000368472980 267174795 /nfs/dbraw/zinc/17/47/95/267174795.db2.gz CECJDYUNMHJMSE-SJORKVTESA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000368570718 267187749 /nfs/dbraw/zinc/18/77/49/267187749.db2.gz YUJDHSUCSIPLIV-BZSNNMDCSA-N 2 2 292.467 2.822 20 30 CFEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCCC#N)[nH+]1 ZINC000369899092 267275478 /nfs/dbraw/zinc/27/54/78/267275478.db2.gz DRGFOWZHUSRQLE-AWEZNQCLSA-N 2 2 258.369 2.570 20 30 CFEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCCC#N)[nH+]1 ZINC000369899092 267275479 /nfs/dbraw/zinc/27/54/79/267275479.db2.gz DRGFOWZHUSRQLE-AWEZNQCLSA-N 2 2 258.369 2.570 20 30 CFEDLP N#CCC1(C[NH2+][C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000377087591 268046092 /nfs/dbraw/zinc/04/60/92/268046092.db2.gz ZWUSWLUVRCJGPF-QGZVFWFLSA-N 2 2 283.419 2.587 20 30 CFEDLP N#CCC1(C[NH2+][C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000377087591 268046095 /nfs/dbraw/zinc/04/60/95/268046095.db2.gz ZWUSWLUVRCJGPF-QGZVFWFLSA-N 2 2 283.419 2.587 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000160593130 276213685 /nfs/dbraw/zinc/21/36/85/276213685.db2.gz GUXMWAGHAQXZTR-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000160593130 276213686 /nfs/dbraw/zinc/21/36/86/276213686.db2.gz GUXMWAGHAQXZTR-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000160593130 276213687 /nfs/dbraw/zinc/21/36/87/276213687.db2.gz GUXMWAGHAQXZTR-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000160593130 276213688 /nfs/dbraw/zinc/21/36/88/276213688.db2.gz GUXMWAGHAQXZTR-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000349309380 278028962 /nfs/dbraw/zinc/02/89/62/278028962.db2.gz DIXSMWOHNCCUOG-DDBAPUKQSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000349309380 278028964 /nfs/dbraw/zinc/02/89/64/278028964.db2.gz DIXSMWOHNCCUOG-DDBAPUKQSA-N 2 2 283.419 2.931 20 30 CFEDLP CCC[NH2+]CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423306332 278841357 /nfs/dbraw/zinc/84/13/57/278841357.db2.gz DLSSQNDCSXVJAV-QGZVFWFLSA-N 2 2 271.408 2.915 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000271531772 328196826 /nfs/dbraw/zinc/19/68/26/328196826.db2.gz WXOQCGYSXPJHBS-QWQRMKEZSA-N 2 2 299.418 2.722 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000271531772 328196828 /nfs/dbraw/zinc/19/68/28/328196828.db2.gz WXOQCGYSXPJHBS-QWQRMKEZSA-N 2 2 299.418 2.722 20 30 CFEDLP C[N@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152280825 328365523 /nfs/dbraw/zinc/36/55/23/328365523.db2.gz PJYNAOTVERTYNL-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152280825 328365524 /nfs/dbraw/zinc/36/55/24/328365524.db2.gz PJYNAOTVERTYNL-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152280825 328365525 /nfs/dbraw/zinc/36/55/25/328365525.db2.gz PJYNAOTVERTYNL-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152280825 328365526 /nfs/dbraw/zinc/36/55/26/328365526.db2.gz PJYNAOTVERTYNL-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP N#CCC[C@H](C#N)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000556482939 326944327 /nfs/dbraw/zinc/94/43/27/326944327.db2.gz SIZFFFVVDWVEAD-QGZVFWFLSA-N 2 2 296.418 2.684 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000559145697 327142955 /nfs/dbraw/zinc/14/29/55/327142955.db2.gz QAEIFYDORJJDDD-ZFWWWQNUSA-N 2 2 270.380 2.650 20 30 CFEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000185779378 329331747 /nfs/dbraw/zinc/33/17/47/329331747.db2.gz DZEZJLCMXZEMNW-YHUYYLMFSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@H+]1CCC[C@H](C)C1 ZINC000185779378 329331749 /nfs/dbraw/zinc/33/17/49/329331749.db2.gz DZEZJLCMXZEMNW-YHUYYLMFSA-N 2 2 263.429 2.779 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCOC[C@@H]1C)C(C)C ZINC000192469566 329432549 /nfs/dbraw/zinc/43/25/49/329432549.db2.gz HHXIMQRDVSSYFE-BBWFWOEESA-N 2 2 280.456 2.700 20 30 CFEDLP N#CC1(c2ccccc2)CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000158469477 330054137 /nfs/dbraw/zinc/05/41/37/330054137.db2.gz JQANOURWUYNEIW-UHFFFAOYSA-N 2 2 295.430 2.827 20 30 CFEDLP C=C(C)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968935 330154974 /nfs/dbraw/zinc/15/49/74/330154974.db2.gz NEJOFJONERMAKR-UHFFFAOYSA-N 2 2 273.424 2.596 20 30 CFEDLP C=C(C)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968935 330154975 /nfs/dbraw/zinc/15/49/75/330154975.db2.gz NEJOFJONERMAKR-UHFFFAOYSA-N 2 2 273.424 2.596 20 30 CFEDLP C=C(C)[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423050432 330167107 /nfs/dbraw/zinc/16/71/07/330167107.db2.gz LGYFDNHKLPPIGW-BONVTDFDSA-N 2 2 266.335 2.780 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423176916 330175266 /nfs/dbraw/zinc/17/52/66/330175266.db2.gz GNXVUKWIOGRGDU-NXHRZFHOSA-N 2 2 288.435 2.530 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000423415633 330197604 /nfs/dbraw/zinc/19/76/04/330197604.db2.gz DYSNKXBGYJEIJV-KMFMINBZSA-N 2 2 269.392 2.545 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424187220 330320076 /nfs/dbraw/zinc/32/00/76/330320076.db2.gz AMNKNDYBRFNQBO-DZJNRPSUSA-N 2 2 283.419 2.789 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424187220 330320077 /nfs/dbraw/zinc/32/00/77/330320077.db2.gz AMNKNDYBRFNQBO-DZJNRPSUSA-N 2 2 283.419 2.789 20 30 CFEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442853961 330787316 /nfs/dbraw/zinc/78/73/16/330787316.db2.gz VKLZRRKLMNGPPE-UONOGXRCSA-N 2 2 282.391 2.788 20 30 CFEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442876650 330789720 /nfs/dbraw/zinc/78/97/20/330789720.db2.gz VMFALHMTQHHMRS-JKSUJKDBSA-N 2 2 298.434 2.851 20 30 CFEDLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000447507893 330867179 /nfs/dbraw/zinc/86/71/79/330867179.db2.gz JEJMROHXOIWVIZ-KSZLIROESA-N 2 2 285.435 2.831 20 30 CFEDLP C=C(CC)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449737410 330947403 /nfs/dbraw/zinc/94/74/03/330947403.db2.gz ZWWLEUWFXNBOQP-UHFFFAOYSA-N 2 2 259.397 2.602 20 30 CFEDLP CC#CCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122168 331055015 /nfs/dbraw/zinc/05/50/15/331055015.db2.gz UUSUPPBNVRXFKZ-UHFFFAOYSA-N 2 2 276.346 2.748 20 30 CFEDLP CC#CCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122168 331055016 /nfs/dbraw/zinc/05/50/16/331055016.db2.gz UUSUPPBNVRXFKZ-UHFFFAOYSA-N 2 2 276.346 2.748 20 30 CFEDLP C#CC(C)(C)[N@H+](C)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491072569 332146999 /nfs/dbraw/zinc/14/69/99/332146999.db2.gz SWZXOZHGWHUABJ-UHFFFAOYSA-N 2 2 267.376 2.775 20 30 CFEDLP C#CC(C)(C)[N@@H+](C)Cc1c[nH+]cn1Cc1ccccc1 ZINC000491072569 332147000 /nfs/dbraw/zinc/14/70/00/332147000.db2.gz SWZXOZHGWHUABJ-UHFFFAOYSA-N 2 2 267.376 2.775 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000491672766 332279325 /nfs/dbraw/zinc/27/93/25/332279325.db2.gz HWSCIXMWBPSRIJ-HNNXBMFYSA-N 2 2 262.784 2.698 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000491700003 332294843 /nfs/dbraw/zinc/29/48/43/332294843.db2.gz NVQYCEHBILBMBT-GOSISDBHSA-N 2 2 286.394 2.964 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000491742665 332321022 /nfs/dbraw/zinc/32/10/22/332321022.db2.gz LUSOOHHRYRWZGL-QGZVFWFLSA-N 2 2 274.383 2.962 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000565237204 334547140 /nfs/dbraw/zinc/54/71/40/334547140.db2.gz GVFGGAYXPFUHFT-UHFFFAOYSA-N 2 2 271.364 2.583 20 30 CFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192054857 521489819 /nfs/dbraw/zinc/48/98/19/521489819.db2.gz MFUHHGGSUQUIBQ-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192054857 521489825 /nfs/dbraw/zinc/48/98/25/521489825.db2.gz MFUHHGGSUQUIBQ-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192054857 521489833 /nfs/dbraw/zinc/48/98/33/521489833.db2.gz MFUHHGGSUQUIBQ-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192054857 521489839 /nfs/dbraw/zinc/48/98/39/521489839.db2.gz MFUHHGGSUQUIBQ-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)c3F)CC[C@H]21 ZINC000300240095 523835192 /nfs/dbraw/zinc/83/51/92/523835192.db2.gz HZZKFWIBCBRMEO-GDBMZVCRSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)c3F)CC[C@H]21 ZINC000300240095 523835196 /nfs/dbraw/zinc/83/51/96/523835196.db2.gz HZZKFWIBCBRMEO-GDBMZVCRSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C#N)c3F)CC[C@H]21 ZINC000300240095 523835202 /nfs/dbraw/zinc/83/52/02/523835202.db2.gz HZZKFWIBCBRMEO-GDBMZVCRSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3F)CC[C@H]21 ZINC000300240095 523835209 /nfs/dbraw/zinc/83/52/09/523835209.db2.gz HZZKFWIBCBRMEO-GDBMZVCRSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3C#N)CC[C@@H]21 ZINC000158632174 523856720 /nfs/dbraw/zinc/85/67/20/523856720.db2.gz KZYBQKIOYMHPMT-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3C#N)CC[C@@H]21 ZINC000158632174 523856724 /nfs/dbraw/zinc/85/67/24/523856724.db2.gz KZYBQKIOYMHPMT-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3C#N)CC[C@@H]21 ZINC000158632174 523856726 /nfs/dbraw/zinc/85/67/26/523856726.db2.gz KZYBQKIOYMHPMT-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3C#N)CC[C@@H]21 ZINC000158632174 523856732 /nfs/dbraw/zinc/85/67/32/523856732.db2.gz KZYBQKIOYMHPMT-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000347106909 526864896 /nfs/dbraw/zinc/86/48/96/526864896.db2.gz NXUWBXHJIHYNLZ-WMLDXEAASA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000347106909 526864903 /nfs/dbraw/zinc/86/49/03/526864903.db2.gz NXUWBXHJIHYNLZ-WMLDXEAASA-N 2 2 274.408 2.953 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCC(O)CC1)C(C)C ZINC000353459480 527646577 /nfs/dbraw/zinc/64/65/77/527646577.db2.gz HXJZXHGRDPOTSQ-JCYILVPMSA-N 2 2 280.456 2.578 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000174211915 528176772 /nfs/dbraw/zinc/17/67/72/528176772.db2.gz DDQSQHVFUSDZON-KRWDZBQOSA-N 2 2 271.408 2.722 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000174211915 528176776 /nfs/dbraw/zinc/17/67/76/528176776.db2.gz DDQSQHVFUSDZON-KRWDZBQOSA-N 2 2 271.408 2.722 20 30 CFEDLP Cc1cccn2c(C[NH2+]Cc3ccc(C#N)cc3)c[nH+]c12 ZINC000742367064 574324455 /nfs/dbraw/zinc/32/44/55/574324455.db2.gz IENACBVGWDVONA-UHFFFAOYSA-N 2 2 276.343 2.804 20 30 CFEDLP C[N@H+](CCC[NH+]1CCCCC1)Cc1cc(C#N)cs1 ZINC000933773065 617775597 /nfs/dbraw/zinc/77/55/97/617775597.db2.gz AWYISOQCDZNQDF-UHFFFAOYSA-N 2 2 277.437 2.928 20 30 CFEDLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1cc(C#N)cs1 ZINC000933773065 617775601 /nfs/dbraw/zinc/77/56/01/617775601.db2.gz AWYISOQCDZNQDF-UHFFFAOYSA-N 2 2 277.437 2.928 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000926763080 618649870 /nfs/dbraw/zinc/64/98/70/618649870.db2.gz SEKQJJXOMBEZGH-DZGCQCFKSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000926763080 618649871 /nfs/dbraw/zinc/64/98/71/618649871.db2.gz SEKQJJXOMBEZGH-DZGCQCFKSA-N 2 2 263.429 2.921 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000892880750 618762559 /nfs/dbraw/zinc/76/25/59/618762559.db2.gz IDGPTHVUZIQFIF-UHFFFAOYSA-N 2 2 278.371 2.661 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)noc2CC)CC1 ZINC000892881244 618762671 /nfs/dbraw/zinc/76/26/71/618762671.db2.gz SSQIMYDQCOVIHM-UHFFFAOYSA-N 2 2 277.412 2.676 20 30 CFEDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000925786229 619111416 /nfs/dbraw/zinc/11/14/16/619111416.db2.gz SLHGNSCFMHEPCB-OAUYIBNBSA-N 2 2 269.392 2.523 20 30 CFEDLP C[C@H](CCC#N)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896195617 619691499 /nfs/dbraw/zinc/69/14/99/619691499.db2.gz MURVDBRECRLNHR-CQSZACIVSA-N 2 2 272.396 2.898 20 30 CFEDLP CC(C)C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)[NH+](C)C ZINC000924630000 620422940 /nfs/dbraw/zinc/42/29/40/620422940.db2.gz VFFSLSNRLSMIBH-UONOGXRCSA-N 2 2 253.434 2.881 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C/C=C/Cl)CC2)cc1 ZINC000898434080 620463515 /nfs/dbraw/zinc/46/35/15/620463515.db2.gz SMOXUEYTCVPRFO-UNXLUWIOSA-N 2 2 289.810 2.865 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1Cc3ccccc3[C@H]1[NH3+])CC2 ZINC000902436196 621079180 /nfs/dbraw/zinc/07/91/80/621079180.db2.gz XZXAXZIJJXQGRD-GUDVDZBRSA-N 2 2 289.382 2.760 20 30 CFEDLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000902446646 621089382 /nfs/dbraw/zinc/08/93/82/621089382.db2.gz UUUKPIZVQPTPDR-IRXDYDNUSA-N 2 2 283.419 2.913 20 30 CFEDLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902447198 621089982 /nfs/dbraw/zinc/08/99/82/621089982.db2.gz XAVTZEKCMLYCKS-CABCVRRESA-N 2 2 257.381 2.597 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902466805 621099383 /nfs/dbraw/zinc/09/93/83/621099383.db2.gz MZOFAUCKSCJREV-LAVFITLUSA-N 2 2 281.403 2.808 20 30 CFEDLP C[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)C[NH+]1CCCCC1 ZINC000902756043 621165687 /nfs/dbraw/zinc/16/56/87/621165687.db2.gz AVLGFQANGDWOSM-HUUCEWRRSA-N 2 2 286.423 2.726 20 30 CFEDLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902759467 621166727 /nfs/dbraw/zinc/16/67/27/621166727.db2.gz YCRFJHRZNZAGJS-CJNGLKHVSA-N 2 2 297.406 2.915 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](OCC)C2)CC1 ZINC000902797015 621179652 /nfs/dbraw/zinc/17/96/52/621179652.db2.gz YIFRIFHMHGINFY-JKSUJKDBSA-N 2 2 266.429 2.574 20 30 CFEDLP C#C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H]1CCCO1 ZINC000902958772 621214152 /nfs/dbraw/zinc/21/41/52/621214152.db2.gz SRFMRCRJYHGNOA-WBAXXEDZSA-N 2 2 295.386 2.704 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903007805 621228212 /nfs/dbraw/zinc/22/82/12/621228212.db2.gz IGJWTPFCJXDHSS-XYPHTWIQSA-N 2 2 283.375 2.866 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058461 621236716 /nfs/dbraw/zinc/23/67/16/621236716.db2.gz HHHNZBUOGHSZAQ-YOEHRIQHSA-N 2 2 298.434 2.726 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058461 621236718 /nfs/dbraw/zinc/23/67/18/621236718.db2.gz HHHNZBUOGHSZAQ-YOEHRIQHSA-N 2 2 298.434 2.726 20 30 CFEDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903425123 621379952 /nfs/dbraw/zinc/37/99/52/621379952.db2.gz SZJISXYDTHBKAO-RISCZKNCSA-N 2 2 277.799 2.771 20 30 CFEDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903425123 621379955 /nfs/dbraw/zinc/37/99/55/621379955.db2.gz SZJISXYDTHBKAO-RISCZKNCSA-N 2 2 277.799 2.771 20 30 CFEDLP N#CC1(CCCC[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)CCC1 ZINC000903780324 621440842 /nfs/dbraw/zinc/44/08/42/621440842.db2.gz FTEMKMLANFIRRC-CABCVRRESA-N 2 2 261.413 2.677 20 30 CFEDLP N#CC1(CCCC[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)CCC1 ZINC000903780324 621440844 /nfs/dbraw/zinc/44/08/44/621440844.db2.gz FTEMKMLANFIRRC-CABCVRRESA-N 2 2 261.413 2.677 20 30 CFEDLP N#CC1(CCCC[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)CCC1 ZINC000903780326 621441086 /nfs/dbraw/zinc/44/10/86/621441086.db2.gz FTEMKMLANFIRRC-HUUCEWRRSA-N 2 2 261.413 2.677 20 30 CFEDLP N#CC1(CCCC[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)CCC1 ZINC000903780326 621441087 /nfs/dbraw/zinc/44/10/87/621441087.db2.gz FTEMKMLANFIRRC-HUUCEWRRSA-N 2 2 261.413 2.677 20 30 CFEDLP CC(=[NH+]NCC[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000915973651 624198886 /nfs/dbraw/zinc/19/88/86/624198886.db2.gz LDRANIYADWHPNF-UHFFFAOYSA-N 2 2 288.439 2.552 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921486059 624912103 /nfs/dbraw/zinc/91/21/03/624912103.db2.gz BWTZZXRYOFOTEH-MRXNPFEDSA-N 2 2 271.408 2.749 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921486059 624912106 /nfs/dbraw/zinc/91/21/06/624912106.db2.gz BWTZZXRYOFOTEH-MRXNPFEDSA-N 2 2 271.408 2.749 20 30 CFEDLP CCCC[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921617054 625994257 /nfs/dbraw/zinc/99/42/57/625994257.db2.gz GIXOHFWMNWTVET-UHFFFAOYSA-N 2 2 277.437 2.974 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000921703496 626095393 /nfs/dbraw/zinc/09/53/93/626095393.db2.gz WYEBWLKQORXYDT-UHFFFAOYSA-N 2 2 288.439 2.738 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000769945210 627489897 /nfs/dbraw/zinc/48/98/97/627489897.db2.gz RKRYJDCCYZAMOF-LSDHHAIUSA-N 2 2 266.348 2.654 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000773029351 627772080 /nfs/dbraw/zinc/77/20/80/627772080.db2.gz YJLRKKKIGBZLRK-LRDDRELGSA-N 2 2 275.371 2.517 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000773029351 627772083 /nfs/dbraw/zinc/77/20/83/627772083.db2.gz YJLRKKKIGBZLRK-LRDDRELGSA-N 2 2 275.371 2.517 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000809753524 631281614 /nfs/dbraw/zinc/28/16/14/631281614.db2.gz VIXYECLBSVMABX-OAHLLOKOSA-N 2 2 298.390 2.696 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000809753524 631281616 /nfs/dbraw/zinc/28/16/16/631281616.db2.gz VIXYECLBSVMABX-OAHLLOKOSA-N 2 2 298.390 2.696 20 30 CFEDLP CN(C)c1ccc(/C=C/C=[NH+]NCCCn2cc[nH+]c2)cc1 ZINC000848416363 633254063 /nfs/dbraw/zinc/25/40/63/633254063.db2.gz IUZBGUQIBPUIQD-LWTDZCFHSA-N 2 2 297.406 2.628 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000866364172 638804861 /nfs/dbraw/zinc/80/48/61/638804861.db2.gz PZPHQJCTZVKQDH-INIZCTEOSA-N 2 2 273.424 2.776 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC)c1cc(C)ccn1 ZINC000866364172 638804864 /nfs/dbraw/zinc/80/48/64/638804864.db2.gz PZPHQJCTZVKQDH-INIZCTEOSA-N 2 2 273.424 2.776 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866400345 638815281 /nfs/dbraw/zinc/81/52/81/638815281.db2.gz YXRXGUINCIZJRA-KBPBESRZSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866400345 638815283 /nfs/dbraw/zinc/81/52/83/638815283.db2.gz YXRXGUINCIZJRA-KBPBESRZSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413984 638817059 /nfs/dbraw/zinc/81/70/59/638817059.db2.gz XUHCAVDXZFRHAL-GJZGRUSLSA-N 2 2 268.445 2.556 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413984 638817061 /nfs/dbraw/zinc/81/70/61/638817061.db2.gz XUHCAVDXZFRHAL-GJZGRUSLSA-N 2 2 268.445 2.556 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccc(C#N)cc1 ZINC000873236709 642087765 /nfs/dbraw/zinc/08/77/65/642087765.db2.gz IWPCGVOUXDDFAC-CZUORRHYSA-N 2 2 271.408 2.987 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1cccc(C#N)c1 ZINC000873236862 642087793 /nfs/dbraw/zinc/08/77/93/642087793.db2.gz JSOBYMFPXIGOSE-CZUORRHYSA-N 2 2 271.408 2.987 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000876957279 643080000 /nfs/dbraw/zinc/08/00/00/643080000.db2.gz WMMUBZNSJPESMK-KBPBESRZSA-N 2 2 262.401 2.827 20 30 CFEDLP C=CCC[C@H](COc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000883165625 645634772 /nfs/dbraw/zinc/63/47/72/645634772.db2.gz IPALNMBZEAOPLS-MRXNPFEDSA-N 2 2 285.391 2.887 20 30 CFEDLP CC[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924963957 648081020 /nfs/dbraw/zinc/08/10/20/648081020.db2.gz NZKCYVZSXCUWHB-MRXNPFEDSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CCCSCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925710336 648290455 /nfs/dbraw/zinc/29/04/55/648290455.db2.gz WRBKSCUGQANMLV-DZGCQCFKSA-N 2 2 264.438 2.974 20 30 CFEDLP CC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C#N)c1O ZINC000925713342 648292732 /nfs/dbraw/zinc/29/27/32/648292732.db2.gz XPJYVNDZSRHCAS-MRXNPFEDSA-N 2 2 285.391 2.566 20 30 CFEDLP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C#N)c1O ZINC000925713342 648292739 /nfs/dbraw/zinc/29/27/39/648292739.db2.gz XPJYVNDZSRHCAS-MRXNPFEDSA-N 2 2 285.391 2.566 20 30 CFEDLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000925815067 648332155 /nfs/dbraw/zinc/33/21/55/648332155.db2.gz STWJVHOOSJFEPI-FZKQIMNGSA-N 2 2 297.377 2.745 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927103861 648713098 /nfs/dbraw/zinc/71/30/98/648713098.db2.gz UJDIGGFKXXFFOV-DOTOQJQBSA-N 2 2 280.456 2.964 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927103861 648713101 /nfs/dbraw/zinc/71/31/01/648713101.db2.gz UJDIGGFKXXFFOV-DOTOQJQBSA-N 2 2 280.456 2.964 20 30 CFEDLP C#CCCCCCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000931649704 649467206 /nfs/dbraw/zinc/46/72/06/649467206.db2.gz BGFPZBMFPAHTGW-SFHVURJKSA-N 2 2 292.467 2.803 20 30 CFEDLP C#CCCCCCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000931649704 649467209 /nfs/dbraw/zinc/46/72/09/649467209.db2.gz BGFPZBMFPAHTGW-SFHVURJKSA-N 2 2 292.467 2.803 20 30 CFEDLP C#C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234076284 778159054 /nfs/dbraw/zinc/15/90/54/778159054.db2.gz VJVHURYZGBKIIF-OAHLLOKOSA-N 2 2 295.386 2.726 20 30 CFEDLP C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234076284 778159056 /nfs/dbraw/zinc/15/90/56/778159056.db2.gz VJVHURYZGBKIIF-OAHLLOKOSA-N 2 2 295.386 2.726 20 30 CFEDLP CCCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001235767903 778553339 /nfs/dbraw/zinc/55/33/39/778553339.db2.gz BFWYNTQNNDIRGU-HUUCEWRRSA-N 2 2 284.444 2.559 20 30 CFEDLP CCCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001235767903 778553343 /nfs/dbraw/zinc/55/33/43/778553343.db2.gz BFWYNTQNNDIRGU-HUUCEWRRSA-N 2 2 284.444 2.559 20 30 CFEDLP CCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235767902 778553501 /nfs/dbraw/zinc/55/35/01/778553501.db2.gz BFWYNTQNNDIRGU-GJZGRUSLSA-N 2 2 284.444 2.559 20 30 CFEDLP CCCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235767902 778553504 /nfs/dbraw/zinc/55/35/04/778553504.db2.gz BFWYNTQNNDIRGU-GJZGRUSLSA-N 2 2 284.444 2.559 20 30 CFEDLP C=C(C)COc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958312 778627213 /nfs/dbraw/zinc/62/72/13/778627213.db2.gz DNNYTBNTIPYENI-ALXJQNPVSA-N 2 2 286.419 2.811 20 30 CFEDLP C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958312 778627215 /nfs/dbraw/zinc/62/72/15/778627215.db2.gz DNNYTBNTIPYENI-ALXJQNPVSA-N 2 2 286.419 2.811 20 30 CFEDLP CC[N@H+](CC[NH3+])Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236141946 778713740 /nfs/dbraw/zinc/71/37/40/778713740.db2.gz PBEUFSMMVXGSFX-UHFFFAOYSA-N 2 2 278.399 2.867 20 30 CFEDLP CC[N@@H+](CC[NH3+])Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236141946 778713744 /nfs/dbraw/zinc/71/37/44/778713744.db2.gz PBEUFSMMVXGSFX-UHFFFAOYSA-N 2 2 278.399 2.867 20 30 CFEDLP CCCCCCCC[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236332790 778784847 /nfs/dbraw/zinc/78/48/47/778784847.db2.gz IAWRQVOHSURRQY-HNNXBMFYSA-N 2 2 256.434 2.657 20 30 CFEDLP CCCCCCCC[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236332790 778784852 /nfs/dbraw/zinc/78/48/52/778784852.db2.gz IAWRQVOHSURRQY-HNNXBMFYSA-N 2 2 256.434 2.657 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236419815 778814213 /nfs/dbraw/zinc/81/42/13/778814213.db2.gz KLQXDMLONIRQPE-BBRMVZONSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236419815 778814219 /nfs/dbraw/zinc/81/42/19/778814219.db2.gz KLQXDMLONIRQPE-BBRMVZONSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237143363 779024359 /nfs/dbraw/zinc/02/43/59/779024359.db2.gz QXKATVNERPAMTI-KRWDZBQOSA-N 2 2 280.456 2.967 20 30 CFEDLP C=CCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237143363 779024364 /nfs/dbraw/zinc/02/43/64/779024364.db2.gz QXKATVNERPAMTI-KRWDZBQOSA-N 2 2 280.456 2.967 20 30 CFEDLP C=CCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237143366 779025616 /nfs/dbraw/zinc/02/56/16/779025616.db2.gz QXKATVNERPAMTI-QGZVFWFLSA-N 2 2 280.456 2.967 20 30 CFEDLP C=CCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237143366 779025622 /nfs/dbraw/zinc/02/56/22/779025622.db2.gz QXKATVNERPAMTI-QGZVFWFLSA-N 2 2 280.456 2.967 20 30 CFEDLP N#Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001240160896 779979458 /nfs/dbraw/zinc/97/94/58/779979458.db2.gz QNIWCKAHRPJBFU-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001240160896 779979463 /nfs/dbraw/zinc/97/94/63/779979463.db2.gz QNIWCKAHRPJBFU-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP Cc1cc[nH+]c(C)c1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240351138 780102135 /nfs/dbraw/zinc/10/21/35/780102135.db2.gz OKKHKAFXYHYNGR-UHFFFAOYSA-N 2 2 263.344 2.924 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[N@@H+]1C1CC1 ZINC000594930855 349515201 /nfs/dbraw/zinc/51/52/01/349515201.db2.gz BAXOVNMNGZGKHN-PBHICJAKSA-N 2 2 295.430 2.957 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[N@H+]1C1CC1 ZINC000594930855 349515203 /nfs/dbraw/zinc/51/52/03/349515203.db2.gz BAXOVNMNGZGKHN-PBHICJAKSA-N 2 2 295.430 2.957 20 30 CFEDLP N#CC1(c2ccc(C[NH2+][C@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000594947104 349524504 /nfs/dbraw/zinc/52/45/04/349524504.db2.gz SGDWTRXRSBRTBC-INIZCTEOSA-N 2 2 292.386 2.543 20 30 CFEDLP C=CCCSCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000594960883 349530573 /nfs/dbraw/zinc/53/05/73/349530573.db2.gz ZLDURKRXMOSCQY-CHWSQXEVSA-N 2 2 254.443 2.511 20 30 CFEDLP C=CCCSCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000594960883 349530575 /nfs/dbraw/zinc/53/05/75/349530575.db2.gz ZLDURKRXMOSCQY-CHWSQXEVSA-N 2 2 254.443 2.511 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000595091032 349577995 /nfs/dbraw/zinc/57/79/95/349577995.db2.gz MATZWJAXFGKTPO-GJZGRUSLSA-N 2 2 263.429 2.780 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000595091032 349577997 /nfs/dbraw/zinc/57/79/97/349577997.db2.gz MATZWJAXFGKTPO-GJZGRUSLSA-N 2 2 263.429 2.780 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000595091035 349578371 /nfs/dbraw/zinc/57/83/71/349578371.db2.gz MATZWJAXFGKTPO-LSDHHAIUSA-N 2 2 263.429 2.780 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000595091035 349578375 /nfs/dbraw/zinc/57/83/75/349578375.db2.gz MATZWJAXFGKTPO-LSDHHAIUSA-N 2 2 263.429 2.780 20 30 CFEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000595299897 349597188 /nfs/dbraw/zinc/59/71/88/349597188.db2.gz FUTJYCSBUAIRHO-QGZVFWFLSA-N 2 2 280.375 2.634 20 30 CFEDLP N#Cc1ccc(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000595299897 349597189 /nfs/dbraw/zinc/59/71/89/349597189.db2.gz FUTJYCSBUAIRHO-QGZVFWFLSA-N 2 2 280.375 2.634 20 30 CFEDLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595894756 349763434 /nfs/dbraw/zinc/76/34/34/349763434.db2.gz WTBUUZBZSXJPHD-LBPRGKRZSA-N 2 2 297.324 2.618 20 30 CFEDLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595894756 349763440 /nfs/dbraw/zinc/76/34/40/349763440.db2.gz WTBUUZBZSXJPHD-LBPRGKRZSA-N 2 2 297.324 2.618 20 30 CFEDLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595895971 349764361 /nfs/dbraw/zinc/76/43/61/349764361.db2.gz XPIBINMAFHLEOR-AWEZNQCLSA-N 2 2 297.324 2.748 20 30 CFEDLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595895971 349764364 /nfs/dbraw/zinc/76/43/64/349764364.db2.gz XPIBINMAFHLEOR-AWEZNQCLSA-N 2 2 297.324 2.748 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CCCCC1)c1c[nH+]ccc1N ZINC000596653187 349969194 /nfs/dbraw/zinc/96/91/94/349969194.db2.gz SLFQUPNEKJZBEM-LBPRGKRZSA-N 2 2 258.369 2.619 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]Cc1cc[nH]c1)C(C)C ZINC000086250168 179256147 /nfs/dbraw/zinc/25/61/47/179256147.db2.gz YXUFVNKBSBIWHD-MRXNPFEDSA-N 2 2 261.413 2.803 20 30 CFEDLP N#Cc1ccccc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230027156 348203775 /nfs/dbraw/zinc/20/37/75/348203775.db2.gz SZRNVJLJERDQEQ-UHFFFAOYSA-N 2 2 279.387 2.909 20 30 CFEDLP N#Cc1ccccc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230027156 348203779 /nfs/dbraw/zinc/20/37/79/348203779.db2.gz SZRNVJLJERDQEQ-UHFFFAOYSA-N 2 2 279.387 2.909 20 30 CFEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594495696 349430393 /nfs/dbraw/zinc/43/03/93/349430393.db2.gz SKNKZFKDRYGDIU-CQSZACIVSA-N 2 2 282.391 2.863 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271219761 191008726 /nfs/dbraw/zinc/00/87/26/191008726.db2.gz ZPIJFPACEZHSFJ-UHFFFAOYSA-N 2 2 295.386 2.801 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000598895105 350345419 /nfs/dbraw/zinc/34/54/19/350345419.db2.gz SSMQTZQHLQQCRF-HNNXBMFYSA-N 2 2 287.407 2.621 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc(F)c1C#N ZINC000598895096 350345756 /nfs/dbraw/zinc/34/57/56/350345756.db2.gz PRNCWAXPWWRMNF-UHFFFAOYSA-N 2 2 269.323 2.733 20 30 CFEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000599067324 350369049 /nfs/dbraw/zinc/36/90/49/350369049.db2.gz SPPPBGZFQAXPRE-WBVHZDCISA-N 2 2 269.392 2.619 20 30 CFEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000599067324 350369054 /nfs/dbraw/zinc/36/90/54/350369054.db2.gz SPPPBGZFQAXPRE-WBVHZDCISA-N 2 2 269.392 2.619 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066737 180316273 /nfs/dbraw/zinc/31/62/73/180316273.db2.gz VFNIGWLJUIRBTB-CXAGYDPISA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000092066737 180316274 /nfs/dbraw/zinc/31/62/74/180316274.db2.gz VFNIGWLJUIRBTB-CXAGYDPISA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000092066737 180316276 /nfs/dbraw/zinc/31/62/76/180316276.db2.gz VFNIGWLJUIRBTB-CXAGYDPISA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000092066737 180316278 /nfs/dbraw/zinc/31/62/78/180316278.db2.gz VFNIGWLJUIRBTB-CXAGYDPISA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600721896 350601373 /nfs/dbraw/zinc/60/13/73/350601373.db2.gz NEYZFMNLTZTKKN-KGLIPLIRSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600721896 350601377 /nfs/dbraw/zinc/60/13/77/350601377.db2.gz NEYZFMNLTZTKKN-KGLIPLIRSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000111243731 186375933 /nfs/dbraw/zinc/37/59/33/186375933.db2.gz XXUKFOWJUOITBE-UHFFFAOYSA-N 2 2 284.338 2.731 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602003180 350827988 /nfs/dbraw/zinc/82/79/88/350827988.db2.gz RWQYWCNWKPKKRB-UHFFFAOYSA-N 2 2 287.382 2.827 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000602509317 350909292 /nfs/dbraw/zinc/90/92/92/350909292.db2.gz FOBMHCRLEKTNAN-OAHLLOKOSA-N 2 2 282.391 2.961 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000602516372 350912490 /nfs/dbraw/zinc/91/24/90/350912490.db2.gz ZZRKGSVQXFSPOH-FXQLRMTLSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@H+]1CCCC[C@@H]1C ZINC000602516372 350912494 /nfs/dbraw/zinc/91/24/94/350912494.db2.gz ZZRKGSVQXFSPOH-FXQLRMTLSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000602520888 350912796 /nfs/dbraw/zinc/91/27/96/350912796.db2.gz MZVZPPZLKUFIHX-HNNXBMFYSA-N 2 2 286.423 2.575 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]CCCCNc1cccc[nH+]1 ZINC000602535014 350917026 /nfs/dbraw/zinc/91/70/26/350917026.db2.gz LFGCLXDKTSTJRZ-AWEZNQCLSA-N 2 2 260.385 2.803 20 30 CFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602544839 350919189 /nfs/dbraw/zinc/91/91/89/350919189.db2.gz DPBUVPXGWOJDLM-HZPDHXFCSA-N 2 2 293.455 2.549 20 30 CFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602544839 350919190 /nfs/dbraw/zinc/91/91/90/350919190.db2.gz DPBUVPXGWOJDLM-HZPDHXFCSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C[C@@H](C)CCC#N ZINC000602714701 350995878 /nfs/dbraw/zinc/99/58/78/350995878.db2.gz BZVPKWUPBCDFGQ-LSDHHAIUSA-N 2 2 251.418 2.636 20 30 CFEDLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390779 351679513 /nfs/dbraw/zinc/67/95/13/351679513.db2.gz DAARUHUZOKYQMT-WBVHZDCISA-N 2 2 269.392 2.619 20 30 CFEDLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390779 351679516 /nfs/dbraw/zinc/67/95/16/351679516.db2.gz DAARUHUZOKYQMT-WBVHZDCISA-N 2 2 269.392 2.619 20 30 CFEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000612584968 351839397 /nfs/dbraw/zinc/83/93/97/351839397.db2.gz KVRFOCNCFMJTFK-UHFFFAOYSA-N 2 2 277.334 2.543 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000614402419 352090260 /nfs/dbraw/zinc/09/02/60/352090260.db2.gz GMVKDEXLRWPDQE-UHFFFAOYSA-N 2 2 280.375 2.969 20 30 CFEDLP C#CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000271534333 191197513 /nfs/dbraw/zinc/19/75/13/191197513.db2.gz QBZVREXUXQPJLI-ZVZYQTTQSA-N 2 2 268.404 2.966 20 30 CFEDLP C#CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000271534333 191197516 /nfs/dbraw/zinc/19/75/16/191197516.db2.gz QBZVREXUXQPJLI-ZVZYQTTQSA-N 2 2 268.404 2.966 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000622005818 353465097 /nfs/dbraw/zinc/46/50/97/353465097.db2.gz MUKJOLHEIVTKPA-NVXWUHKLSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000622005818 353465099 /nfs/dbraw/zinc/46/50/99/353465099.db2.gz MUKJOLHEIVTKPA-NVXWUHKLSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000622005819 353465189 /nfs/dbraw/zinc/46/51/89/353465189.db2.gz MUKJOLHEIVTKPA-RDJZCZTQSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000622005819 353465191 /nfs/dbraw/zinc/46/51/91/353465191.db2.gz MUKJOLHEIVTKPA-RDJZCZTQSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1Cl ZINC000629407603 354803748 /nfs/dbraw/zinc/80/37/48/354803748.db2.gz FJGZGRSIHDNPFR-SMDDNHRTSA-N 2 2 280.799 2.745 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000177910416 189078143 /nfs/dbraw/zinc/07/81/43/189078143.db2.gz KTVRCBOSQCGQOK-YOEHRIQHSA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000177910416 189078144 /nfs/dbraw/zinc/07/81/44/189078144.db2.gz KTVRCBOSQCGQOK-YOEHRIQHSA-N 2 2 280.375 2.838 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000069676585 220205133 /nfs/dbraw/zinc/20/51/33/220205133.db2.gz ALXKPBOYBSQRSV-UHFFFAOYSA-N 2 2 276.343 2.538 20 30 CFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC1CCCC1)c1ccco1 ZINC000264124057 383698018 /nfs/dbraw/zinc/69/80/18/383698018.db2.gz VYBIXIRCBQRMIF-AWEZNQCLSA-N 2 2 292.427 2.509 20 30 CFEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000081572882 374705272 /nfs/dbraw/zinc/70/52/72/374705272.db2.gz BFLJDJAQJNYAPH-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000081572882 374705277 /nfs/dbraw/zinc/70/52/77/374705277.db2.gz BFLJDJAQJNYAPH-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000081572882 374705282 /nfs/dbraw/zinc/70/52/82/374705282.db2.gz BFLJDJAQJNYAPH-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000081572882 374705288 /nfs/dbraw/zinc/70/52/88/374705288.db2.gz BFLJDJAQJNYAPH-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1ccccc1C[N@@H+](C)C[C@H](C)C#N ZINC000264206569 383709296 /nfs/dbraw/zinc/70/92/96/383709296.db2.gz KUQPPKAOSFZEFO-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1ccccc1C[N@H+](C)C[C@H](C)C#N ZINC000264206569 383709300 /nfs/dbraw/zinc/70/93/00/383709300.db2.gz KUQPPKAOSFZEFO-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1C[NH+](C)C[C@H](C)C#N ZINC000264206569 383709306 /nfs/dbraw/zinc/70/93/06/383709306.db2.gz KUQPPKAOSFZEFO-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[N@H+](C)Cc1ccccc1C[NH+](C)C[C@H](C)C#N ZINC000264206569 383709310 /nfs/dbraw/zinc/70/93/10/383709310.db2.gz KUQPPKAOSFZEFO-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000119948963 376511292 /nfs/dbraw/zinc/51/12/92/376511292.db2.gz JDKRHHAOGXQHBU-AWEZNQCLSA-N 2 2 260.385 2.596 20 30 CFEDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000119948963 376511299 /nfs/dbraw/zinc/51/12/99/376511299.db2.gz JDKRHHAOGXQHBU-AWEZNQCLSA-N 2 2 260.385 2.596 20 30 CFEDLP N#Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1F ZINC000120632460 376657369 /nfs/dbraw/zinc/65/73/69/376657369.db2.gz ZARIQOUYGIXYNE-UHFFFAOYSA-N 2 2 284.338 2.731 20 30 CFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000123620101 376962140 /nfs/dbraw/zinc/96/21/40/376962140.db2.gz LDACZBMNIMZSPS-KRWDZBQOSA-N 2 2 294.402 2.746 20 30 CFEDLP CC[NH+]1CCC([N@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000125279044 377135658 /nfs/dbraw/zinc/13/56/58/377135658.db2.gz HGUAYLVEPNJQKV-UHFFFAOYSA-N 2 2 263.410 2.536 20 30 CFEDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000125279044 377135665 /nfs/dbraw/zinc/13/56/65/377135665.db2.gz HGUAYLVEPNJQKV-UHFFFAOYSA-N 2 2 263.410 2.536 20 30 CFEDLP C[N@H+](CCC[NH2+]Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000135134878 378088250 /nfs/dbraw/zinc/08/82/50/378088250.db2.gz UORKURLFJWTXAI-UHFFFAOYSA-N 2 2 283.375 2.763 20 30 CFEDLP C[N@@H+](CCC[NH2+]Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000135134878 378088257 /nfs/dbraw/zinc/08/82/57/378088257.db2.gz UORKURLFJWTXAI-UHFFFAOYSA-N 2 2 283.375 2.763 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000158952227 378676056 /nfs/dbraw/zinc/67/60/56/378676056.db2.gz PFZJPZZLROYVRD-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000158952227 378676062 /nfs/dbraw/zinc/67/60/62/378676062.db2.gz PFZJPZZLROYVRD-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000158952227 378676065 /nfs/dbraw/zinc/67/60/65/378676065.db2.gz PFZJPZZLROYVRD-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000158952227 378676070 /nfs/dbraw/zinc/67/60/70/378676070.db2.gz PFZJPZZLROYVRD-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)cs3)C2)C1 ZINC000334370178 379175124 /nfs/dbraw/zinc/17/51/24/379175124.db2.gz VOMPYDRATUZBMQ-HNNXBMFYSA-N 2 2 275.421 2.537 20 30 CFEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)cs3)C2)C1 ZINC000334370178 379175131 /nfs/dbraw/zinc/17/51/31/379175131.db2.gz VOMPYDRATUZBMQ-HNNXBMFYSA-N 2 2 275.421 2.537 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)cs3)C2)C1 ZINC000334370178 379175134 /nfs/dbraw/zinc/17/51/34/379175134.db2.gz VOMPYDRATUZBMQ-HNNXBMFYSA-N 2 2 275.421 2.537 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)cs3)C2)C1 ZINC000334370178 379175143 /nfs/dbraw/zinc/17/51/43/379175143.db2.gz VOMPYDRATUZBMQ-HNNXBMFYSA-N 2 2 275.421 2.537 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000171934037 379443331 /nfs/dbraw/zinc/44/33/31/379443331.db2.gz OCQMQWCYEBARJJ-UHFFFAOYSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1F ZINC000334710338 379806391 /nfs/dbraw/zinc/80/63/91/379806391.db2.gz BIVJKOSQOAOBBB-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP C[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353797640 380858850 /nfs/dbraw/zinc/85/88/50/380858850.db2.gz SOSIZIMGYFIKHT-KDOFPFPSSA-N 2 2 283.419 2.911 20 30 CFEDLP N#CCCC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000353917245 380954689 /nfs/dbraw/zinc/95/46/89/380954689.db2.gz ULPNXNNBYDKGPP-HNNXBMFYSA-N 2 2 254.337 2.934 20 30 CFEDLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000358569931 380936264 /nfs/dbraw/zinc/93/62/64/380936264.db2.gz MSPQBONMESBRQY-NWDGAFQWSA-N 2 2 272.327 2.633 20 30 CFEDLP C[C@H](CCC#N)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000411393780 381027261 /nfs/dbraw/zinc/02/72/61/381027261.db2.gz ASQJAHZBMHICKM-IJEWVQPXSA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000411393780 381027264 /nfs/dbraw/zinc/02/72/64/381027264.db2.gz ASQJAHZBMHICKM-IJEWVQPXSA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000411393780 381027265 /nfs/dbraw/zinc/02/72/65/381027265.db2.gz ASQJAHZBMHICKM-IJEWVQPXSA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000411393780 381027267 /nfs/dbraw/zinc/02/72/67/381027267.db2.gz ASQJAHZBMHICKM-IJEWVQPXSA-N 2 2 261.413 2.627 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289643762 381083787 /nfs/dbraw/zinc/08/37/87/381083787.db2.gz LFYMKYUNQPMEDW-SJORKVTESA-N 2 2 274.408 2.893 20 30 CFEDLP N#Cc1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)ccc1F ZINC000370434486 381447040 /nfs/dbraw/zinc/44/70/40/381447040.db2.gz UUCVBXYOEMHTSK-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)ccc1F ZINC000370434486 381447045 /nfs/dbraw/zinc/44/70/45/381447045.db2.gz UUCVBXYOEMHTSK-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)ccc1F ZINC000370434486 381447048 /nfs/dbraw/zinc/44/70/48/381447048.db2.gz UUCVBXYOEMHTSK-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)ccc1F ZINC000370434486 381447055 /nfs/dbraw/zinc/44/70/55/381447055.db2.gz UUCVBXYOEMHTSK-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348352815 381525698 /nfs/dbraw/zinc/52/56/98/381525698.db2.gz MHDZHTGYOWMVPQ-LBPRGKRZSA-N 2 2 284.363 2.522 20 30 CFEDLP C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348352815 381525704 /nfs/dbraw/zinc/52/57/04/381525704.db2.gz MHDZHTGYOWMVPQ-LBPRGKRZSA-N 2 2 284.363 2.522 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185383721 381618929 /nfs/dbraw/zinc/61/89/29/381618929.db2.gz JIUKXFYAGDUOKR-CYBMUJFWSA-N 2 2 290.407 2.702 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000291198420 381706097 /nfs/dbraw/zinc/70/60/97/381706097.db2.gz MQTBNTSXHQBORP-UHFFFAOYSA-N 2 2 278.371 2.574 20 30 CFEDLP N#CCC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000361431419 381829494 /nfs/dbraw/zinc/82/94/94/381829494.db2.gz DFYVDSDAISNXBP-UHFFFAOYSA-N 2 2 289.345 2.687 20 30 CFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292834809 381856478 /nfs/dbraw/zinc/85/64/78/381856478.db2.gz ASBCOHSSLNMKSM-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292834809 381856483 /nfs/dbraw/zinc/85/64/83/381856483.db2.gz ASBCOHSSLNMKSM-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292834809 381856488 /nfs/dbraw/zinc/85/64/88/381856488.db2.gz ASBCOHSSLNMKSM-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292834809 381856494 /nfs/dbraw/zinc/85/64/94/381856494.db2.gz ASBCOHSSLNMKSM-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccccc2)C[C@@H]1C ZINC000361837023 381866420 /nfs/dbraw/zinc/86/64/20/381866420.db2.gz JFIBJMCZWPYWHF-WMZOPIPTSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccccc2)C[C@@H]1C ZINC000361837023 381866427 /nfs/dbraw/zinc/86/64/27/381866427.db2.gz JFIBJMCZWPYWHF-WMZOPIPTSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C[C@@H]1C ZINC000361837023 381866430 /nfs/dbraw/zinc/86/64/30/381866430.db2.gz JFIBJMCZWPYWHF-WMZOPIPTSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C[C@@H]1C ZINC000361837023 381866437 /nfs/dbraw/zinc/86/64/37/381866437.db2.gz JFIBJMCZWPYWHF-WMZOPIPTSA-N 2 2 270.420 2.843 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000373096466 381925801 /nfs/dbraw/zinc/92/58/01/381925801.db2.gz DDXSKMFNDGNOHV-AWEZNQCLSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000373096466 381925805 /nfs/dbraw/zinc/92/58/05/381925805.db2.gz DDXSKMFNDGNOHV-AWEZNQCLSA-N 2 2 298.365 2.810 20 30 CFEDLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203370 381946831 /nfs/dbraw/zinc/94/68/31/381946831.db2.gz FVNNQTOJNSRZCR-UBDQQSCGSA-N 2 2 298.434 2.746 20 30 CFEDLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203370 381946839 /nfs/dbraw/zinc/94/68/39/381946839.db2.gz FVNNQTOJNSRZCR-UBDQQSCGSA-N 2 2 298.434 2.746 20 30 CFEDLP N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000362298226 381996718 /nfs/dbraw/zinc/99/67/18/381996718.db2.gz JJCFSBMABWJBPV-HNNXBMFYSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1c(F)cccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000362298226 381996722 /nfs/dbraw/zinc/99/67/22/381996722.db2.gz JJCFSBMABWJBPV-HNNXBMFYSA-N 2 2 297.333 2.746 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000349805369 381991538 /nfs/dbraw/zinc/99/15/38/381991538.db2.gz VMKYSKWNXAVULH-TZMCWYRMSA-N 2 2 284.338 2.793 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293525816 382158746 /nfs/dbraw/zinc/15/87/46/382158746.db2.gz DNILGAICWCAJFV-UHFFFAOYSA-N 2 2 298.789 2.925 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c(F)c1 ZINC000365550884 382410373 /nfs/dbraw/zinc/41/03/73/382410373.db2.gz VKBYLLASXRHZGF-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c(F)c1 ZINC000365550884 382410377 /nfs/dbraw/zinc/41/03/77/382410377.db2.gz VKBYLLASXRHZGF-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(F)c1 ZINC000365550884 382410382 /nfs/dbraw/zinc/41/03/82/382410382.db2.gz VKBYLLASXRHZGF-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c(F)c1 ZINC000365550884 382410387 /nfs/dbraw/zinc/41/03/87/382410387.db2.gz VKBYLLASXRHZGF-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000320646660 382538845 /nfs/dbraw/zinc/53/88/45/382538845.db2.gz OCIMNWXFBQOGFJ-NXHRZFHOSA-N 2 2 288.435 2.566 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000320646660 382538852 /nfs/dbraw/zinc/53/88/52/382538852.db2.gz OCIMNWXFBQOGFJ-NXHRZFHOSA-N 2 2 288.435 2.566 20 30 CFEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000358329119 382571415 /nfs/dbraw/zinc/57/14/15/382571415.db2.gz OBZFUVXWHQUMNW-BHYGNILZSA-N 2 2 271.408 2.961 20 30 CFEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C1 ZINC000358329119 382571418 /nfs/dbraw/zinc/57/14/18/382571418.db2.gz OBZFUVXWHQUMNW-BHYGNILZSA-N 2 2 271.408 2.961 20 30 CFEDLP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH2+]C1 ZINC000346823007 382530750 /nfs/dbraw/zinc/53/07/50/382530750.db2.gz JSXZRIKADLTDAV-OAHLLOKOSA-N 2 2 289.379 2.582 20 30 CFEDLP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH2+]C1 ZINC000346823007 382530753 /nfs/dbraw/zinc/53/07/53/382530753.db2.gz JSXZRIKADLTDAV-OAHLLOKOSA-N 2 2 289.379 2.582 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000320206425 382535920 /nfs/dbraw/zinc/53/59/20/382535920.db2.gz DNLCAPFZERRQMS-GDBMZVCRSA-N 2 2 285.391 2.850 20 30 CFEDLP C=CCCCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000193345295 382718942 /nfs/dbraw/zinc/71/89/42/382718942.db2.gz JFXGSMXFVGKTMK-KRWDZBQOSA-N 2 2 280.456 2.777 20 30 CFEDLP C=CCCCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000193345295 382718943 /nfs/dbraw/zinc/71/89/43/382718943.db2.gz JFXGSMXFVGKTMK-KRWDZBQOSA-N 2 2 280.456 2.777 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000194886216 382757083 /nfs/dbraw/zinc/75/70/83/382757083.db2.gz WGDOZSLZYZMMFF-CYBMUJFWSA-N 2 2 260.381 2.693 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578263647 382905787 /nfs/dbraw/zinc/90/57/87/382905787.db2.gz OQEMKDQYCKDVIP-CJNGLKHVSA-N 2 2 280.375 2.842 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494411890 382912572 /nfs/dbraw/zinc/91/25/72/382912572.db2.gz PBWOZJMBGBMNTH-OAHLLOKOSA-N 2 2 283.375 2.553 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000535757843 382954913 /nfs/dbraw/zinc/95/49/13/382954913.db2.gz BMCYCRBJISDRAC-HNNXBMFYSA-N 2 2 299.805 2.915 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000535757843 382954916 /nfs/dbraw/zinc/95/49/16/382954916.db2.gz BMCYCRBJISDRAC-HNNXBMFYSA-N 2 2 299.805 2.915 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000442783096 382955560 /nfs/dbraw/zinc/95/55/60/382955560.db2.gz MVVNRAPPCCRHDM-OLZOCXBDSA-N 2 2 268.364 2.777 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442785975 382956242 /nfs/dbraw/zinc/95/62/42/382956242.db2.gz WMTJFIFXVHNSMA-OAHLLOKOSA-N 2 2 295.430 2.875 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000442785306 382956887 /nfs/dbraw/zinc/95/68/87/382956887.db2.gz VGDZXEHZUUJSBX-DZGCQCFKSA-N 2 2 266.348 2.654 20 30 CFEDLP Cc1ccc([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000442796441 382957713 /nfs/dbraw/zinc/95/77/13/382957713.db2.gz SVWLFAQPADRIHB-PVAVHDDUSA-N 2 2 271.408 2.880 20 30 CFEDLP Cc1ccc([C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000442796445 382958172 /nfs/dbraw/zinc/95/81/72/382958172.db2.gz SVWLFAQPADRIHB-XIRDDKMYSA-N 2 2 271.408 2.880 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000442791904 382958177 /nfs/dbraw/zinc/95/81/77/382958177.db2.gz KXOLLLKGDBFKFL-KZNAEPCWSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000442791904 382958178 /nfs/dbraw/zinc/95/81/78/382958178.db2.gz KXOLLLKGDBFKFL-KZNAEPCWSA-N 2 2 283.419 2.933 20 30 CFEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442853962 382961250 /nfs/dbraw/zinc/96/12/50/382961250.db2.gz VKLZRRKLMNGPPE-ZIAGYGMSSA-N 2 2 282.391 2.788 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000245953330 383053277 /nfs/dbraw/zinc/05/32/77/383053277.db2.gz PWRBZEVRUVMJEJ-IAGOWNOFSA-N 2 2 280.456 2.678 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000245953330 383053279 /nfs/dbraw/zinc/05/32/79/383053279.db2.gz PWRBZEVRUVMJEJ-IAGOWNOFSA-N 2 2 280.456 2.678 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)CC[C@H]21 ZINC000245970612 383054374 /nfs/dbraw/zinc/05/43/74/383054374.db2.gz VOXALUCRIQRMPZ-SJLPKXTDSA-N 2 2 286.394 2.593 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)CC[C@H]21 ZINC000245970612 383054377 /nfs/dbraw/zinc/05/43/77/383054377.db2.gz VOXALUCRIQRMPZ-SJLPKXTDSA-N 2 2 286.394 2.593 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@H]21 ZINC000245970612 383054379 /nfs/dbraw/zinc/05/43/79/383054379.db2.gz VOXALUCRIQRMPZ-SJLPKXTDSA-N 2 2 286.394 2.593 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@H]21 ZINC000245970612 383054383 /nfs/dbraw/zinc/05/43/83/383054383.db2.gz VOXALUCRIQRMPZ-SJLPKXTDSA-N 2 2 286.394 2.593 20 30 CFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246972243 383127255 /nfs/dbraw/zinc/12/72/55/383127255.db2.gz VMOHTOQKMRRLDG-GXTWGEPZSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246972243 383127259 /nfs/dbraw/zinc/12/72/59/383127259.db2.gz VMOHTOQKMRRLDG-GXTWGEPZSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246972243 383127262 /nfs/dbraw/zinc/12/72/62/383127262.db2.gz VMOHTOQKMRRLDG-GXTWGEPZSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246972243 383127266 /nfs/dbraw/zinc/12/72/66/383127266.db2.gz VMOHTOQKMRRLDG-GXTWGEPZSA-N 2 2 254.805 2.688 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C)C(C)C ZINC000449078923 383165207 /nfs/dbraw/zinc/16/52/07/383165207.db2.gz WVGVLHZLITWNHL-YYIAUSFCSA-N 2 2 280.456 2.841 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563150387 383165474 /nfs/dbraw/zinc/16/54/74/383165474.db2.gz NBSTYHQXCKFXPQ-NVXWUHKLSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563150387 383165477 /nfs/dbraw/zinc/16/54/77/383165477.db2.gz NBSTYHQXCKFXPQ-NVXWUHKLSA-N 2 2 283.419 2.933 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389479 383257812 /nfs/dbraw/zinc/25/78/12/383257812.db2.gz DCPSTWKHDNYZRG-HOTGVXAUSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389479 383257815 /nfs/dbraw/zinc/25/78/15/383257815.db2.gz DCPSTWKHDNYZRG-HOTGVXAUSA-N 2 2 268.445 2.558 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(C#N)cn1 ZINC000566923549 383224954 /nfs/dbraw/zinc/22/49/54/383224954.db2.gz LNGNBOOVITUCNZ-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(C#N)cn1 ZINC000566923549 383224958 /nfs/dbraw/zinc/22/49/58/383224958.db2.gz LNGNBOOVITUCNZ-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccc(C#N)cn1)Cc1ccco1 ZINC000566923549 383224962 /nfs/dbraw/zinc/22/49/62/383224962.db2.gz LNGNBOOVITUCNZ-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP Cc1ccc([C@@H](CNc2cc(C)[nH+]cc2C#N)[NH+](C)C)cc1 ZINC000425217246 383341994 /nfs/dbraw/zinc/34/19/94/383341994.db2.gz UHVJJGCMFTZQBM-GOSISDBHSA-N 2 2 294.402 2.707 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000248725398 383285138 /nfs/dbraw/zinc/28/51/38/383285138.db2.gz CRZQSPRUOZFWIP-BZUAXINKSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248740241 383286267 /nfs/dbraw/zinc/28/62/67/383286267.db2.gz DZEZJLCMXZEMNW-WCVJEAGWSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000248740241 383286271 /nfs/dbraw/zinc/28/62/71/383286271.db2.gz DZEZJLCMXZEMNW-WCVJEAGWSA-N 2 2 263.429 2.779 20 30 CFEDLP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000248816619 383293160 /nfs/dbraw/zinc/29/31/60/383293160.db2.gz KZNQWEXOFDLZRS-IAGOWNOFSA-N 2 2 271.408 2.790 20 30 CFEDLP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000248816619 383293162 /nfs/dbraw/zinc/29/31/62/383293162.db2.gz KZNQWEXOFDLZRS-IAGOWNOFSA-N 2 2 271.408 2.790 20 30 CFEDLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000248845873 383297463 /nfs/dbraw/zinc/29/74/63/383297463.db2.gz OFQNSKHSQPKBTM-QLFBSQMISA-N 2 2 251.418 2.635 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)c(F)c3)CC[C@H]21 ZINC000248914471 383307323 /nfs/dbraw/zinc/30/73/23/383307323.db2.gz ZEBLKERRCLHFJI-DOTOQJQBSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)c(F)c3)CC[C@H]21 ZINC000248914471 383307328 /nfs/dbraw/zinc/30/73/28/383307328.db2.gz ZEBLKERRCLHFJI-DOTOQJQBSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)CC[C@H]21 ZINC000248914471 383307332 /nfs/dbraw/zinc/30/73/32/383307332.db2.gz ZEBLKERRCLHFJI-DOTOQJQBSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CC[C@H]21 ZINC000248914471 383307335 /nfs/dbraw/zinc/30/73/35/383307335.db2.gz ZEBLKERRCLHFJI-DOTOQJQBSA-N 2 2 287.382 2.613 20 30 CFEDLP C=CC[C@H](CC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000281677261 385200548 /nfs/dbraw/zinc/20/05/48/385200548.db2.gz RGOYQUXOCACICB-AWEZNQCLSA-N 2 2 259.397 2.995 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271915334 385400571 /nfs/dbraw/zinc/40/05/71/385400571.db2.gz BXYCOTBJCQNYPU-BWACUDIHSA-N 2 2 287.382 2.831 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271915334 385400576 /nfs/dbraw/zinc/40/05/76/385400576.db2.gz BXYCOTBJCQNYPU-BWACUDIHSA-N 2 2 287.382 2.831 20 30 CFEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271937465 385405785 /nfs/dbraw/zinc/40/57/85/385405785.db2.gz NRQFPXOWWOPMRG-VXGBXAGGSA-N 2 2 272.327 2.633 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccco1 ZINC000286239709 385576392 /nfs/dbraw/zinc/57/63/92/385576392.db2.gz TWUJNDBHTWFFAH-HOTGVXAUSA-N 2 2 292.423 2.845 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272593232 385570808 /nfs/dbraw/zinc/57/08/08/385570808.db2.gz IAZZNXSEGZCKSI-SJLPKXTDSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272593232 385570810 /nfs/dbraw/zinc/57/08/10/385570810.db2.gz IAZZNXSEGZCKSI-SJLPKXTDSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272593232 385570811 /nfs/dbraw/zinc/57/08/11/385570811.db2.gz IAZZNXSEGZCKSI-SJLPKXTDSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272593232 385570813 /nfs/dbraw/zinc/57/08/13/385570813.db2.gz IAZZNXSEGZCKSI-SJLPKXTDSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOCC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000370360493 260025261 /nfs/dbraw/zinc/02/52/61/260025261.db2.gz YVRCTFKONDAKJR-UHFFFAOYSA-N 2 2 292.398 2.582 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000249301228 131120716 /nfs/dbraw/zinc/12/07/16/131120716.db2.gz GVQDQBHHNVOMLJ-CZUORRHYSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000249301228 131120718 /nfs/dbraw/zinc/12/07/18/131120718.db2.gz GVQDQBHHNVOMLJ-CZUORRHYSA-N 2 2 257.381 2.693 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268786848 132065716 /nfs/dbraw/zinc/06/57/16/132065716.db2.gz BTDPFJANJUSTRH-LSDHHAIUSA-N 2 2 283.375 2.634 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000372676681 393454287 /nfs/dbraw/zinc/45/42/87/393454287.db2.gz RDDFVIKQIFNKJD-SEBYTVMXSA-N 2 2 295.430 2.683 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000372676681 393454291 /nfs/dbraw/zinc/45/42/91/393454291.db2.gz RDDFVIKQIFNKJD-SEBYTVMXSA-N 2 2 295.430 2.683 20 30 CFEDLP CCCCCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374318186 393492423 /nfs/dbraw/zinc/49/24/23/393492423.db2.gz PQSZCVUYBOMIST-ROUUACIJSA-N 2 2 295.515 2.915 20 30 CFEDLP CCCCCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000374318186 393492424 /nfs/dbraw/zinc/49/24/24/393492424.db2.gz PQSZCVUYBOMIST-ROUUACIJSA-N 2 2 295.515 2.915 20 30 CFEDLP C=CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000182618531 393511750 /nfs/dbraw/zinc/51/17/50/393511750.db2.gz NTORIERGOHJVTK-UHFFFAOYSA-N 2 2 255.365 2.961 20 30 CFEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000182618531 393511754 /nfs/dbraw/zinc/51/17/54/393511754.db2.gz NTORIERGOHJVTK-UHFFFAOYSA-N 2 2 255.365 2.961 20 30 CFEDLP C=CC[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000183168440 393517156 /nfs/dbraw/zinc/51/71/56/393517156.db2.gz ZZZSJYXZMZSSMW-UHFFFAOYSA-N 2 2 280.375 2.833 20 30 CFEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C#N)c1 ZINC000183168440 393517161 /nfs/dbraw/zinc/51/71/61/393517161.db2.gz ZZZSJYXZMZSSMW-UHFFFAOYSA-N 2 2 280.375 2.833 20 30 CFEDLP C=CC[N@H+](C)CCN(CC)Cc1c(C)[nH+]c2ccccn21 ZINC000411648164 393735193 /nfs/dbraw/zinc/73/51/93/393735193.db2.gz ZOQYFNSUYVHKPS-UHFFFAOYSA-N 2 2 286.423 2.582 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960976 393784978 /nfs/dbraw/zinc/78/49/78/393784978.db2.gz FACOMTLLLBHBAS-DOMZBBRYSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@@H]1n1cc[nH+]c1 ZINC000091960976 393784984 /nfs/dbraw/zinc/78/49/84/393784984.db2.gz FACOMTLLLBHBAS-DOMZBBRYSA-N 2 2 286.404 2.899 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC34CC4)CC2)cc1 ZINC000424187774 393789990 /nfs/dbraw/zinc/78/99/90/393789990.db2.gz WMWVGIDNMWGBLI-KRWDZBQOSA-N 2 2 281.403 2.665 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000245412714 393802260 /nfs/dbraw/zinc/80/22/60/393802260.db2.gz AWKLANRZBGTVMD-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000245412714 393802263 /nfs/dbraw/zinc/80/22/63/393802263.db2.gz AWKLANRZBGTVMD-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000245412714 393802266 /nfs/dbraw/zinc/80/22/66/393802266.db2.gz AWKLANRZBGTVMD-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000245412714 393802271 /nfs/dbraw/zinc/80/22/71/393802271.db2.gz AWKLANRZBGTVMD-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093644917 393802432 /nfs/dbraw/zinc/80/24/32/393802432.db2.gz UMRNUVSLAYEFKP-DGCLKSJQSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@H+]1C ZINC000093644917 393802433 /nfs/dbraw/zinc/80/24/33/393802433.db2.gz UMRNUVSLAYEFKP-DGCLKSJQSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(C#N)cs2)CC[NH+]1C ZINC000093644917 393802435 /nfs/dbraw/zinc/80/24/35/393802435.db2.gz UMRNUVSLAYEFKP-DGCLKSJQSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)CC[NH+]1C ZINC000093644917 393802436 /nfs/dbraw/zinc/80/24/36/393802436.db2.gz UMRNUVSLAYEFKP-DGCLKSJQSA-N 2 2 263.410 2.534 20 30 CFEDLP C=CC[NH+](CC=C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346210419 393923605 /nfs/dbraw/zinc/92/36/05/393923605.db2.gz OJONXHZZDRPMCY-UHFFFAOYSA-N 2 2 268.364 2.750 20 30 CFEDLP C=CCSCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358027383 394095860 /nfs/dbraw/zinc/09/58/60/394095860.db2.gz QYPYDIGKJQEZIK-UHFFFAOYSA-N 2 2 291.464 2.555 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000360338634 394148931 /nfs/dbraw/zinc/14/89/31/394148931.db2.gz QTUFWHSVOIOEGP-DOTOQJQBSA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000360338634 394148934 /nfs/dbraw/zinc/14/89/34/394148934.db2.gz QTUFWHSVOIOEGP-DOTOQJQBSA-N 2 2 283.419 2.790 20 30 CFEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000448030002 394154755 /nfs/dbraw/zinc/15/47/55/394154755.db2.gz RKPBGYWHPGTJSZ-KKUMJFAQSA-N 2 2 263.429 2.779 20 30 CFEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000448030002 394154758 /nfs/dbraw/zinc/15/47/58/394154758.db2.gz RKPBGYWHPGTJSZ-KKUMJFAQSA-N 2 2 263.429 2.779 20 30 CFEDLP CC#CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000360955349 394162419 /nfs/dbraw/zinc/16/24/19/394162419.db2.gz BKSGMMFGMNLALF-UHFFFAOYSA-N 2 2 281.403 2.526 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684954556 542876808 /nfs/dbraw/zinc/87/68/08/542876808.db2.gz ASGLKJDVBCPIGI-INIZCTEOSA-N 2 2 271.408 2.699 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000423359086 394279049 /nfs/dbraw/zinc/27/90/49/394279049.db2.gz KCHYFGCLKOBVCV-VBNZEHGJSA-N 2 2 257.381 2.597 20 30 CFEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810007 394411532 /nfs/dbraw/zinc/41/15/32/394411532.db2.gz SZNIJQBXUKJKBF-KRWDZBQOSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810007 394411533 /nfs/dbraw/zinc/41/15/33/394411533.db2.gz SZNIJQBXUKJKBF-KRWDZBQOSA-N 2 2 269.392 2.665 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000546588971 394829936 /nfs/dbraw/zinc/82/99/36/394829936.db2.gz KERPIMKQYJBBRD-CJNGLKHVSA-N 2 2 280.375 2.842 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000546588971 394829941 /nfs/dbraw/zinc/82/99/41/394829941.db2.gz KERPIMKQYJBBRD-CJNGLKHVSA-N 2 2 280.375 2.842 20 30 CFEDLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000558566509 395064600 /nfs/dbraw/zinc/06/46/00/395064600.db2.gz IHTAQGPIGNTSJY-UHFFFAOYSA-N 2 2 292.452 2.567 20 30 CFEDLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000558566509 395064601 /nfs/dbraw/zinc/06/46/01/395064601.db2.gz IHTAQGPIGNTSJY-UHFFFAOYSA-N 2 2 292.452 2.567 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)o1)C1CCN(c2cccc[nH+]2)CC1 ZINC000367424106 156328707 /nfs/dbraw/zinc/32/87/07/156328707.db2.gz ZPVLGJAUENAPJU-UHFFFAOYSA-N 2 2 296.374 2.647 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)o1)C1CCN(c2cccc[nH+]2)CC1 ZINC000367424106 156328711 /nfs/dbraw/zinc/32/87/11/156328711.db2.gz ZPVLGJAUENAPJU-UHFFFAOYSA-N 2 2 296.374 2.647 20 30 CFEDLP COc1cc(C[NH2+]Cc2cccc3[nH+]ccn32)ccc1C#N ZINC000353208209 163316897 /nfs/dbraw/zinc/31/68/97/163316897.db2.gz IOOGOHHXQIPVQS-UHFFFAOYSA-N 2 2 292.342 2.504 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000651665358 413552218 /nfs/dbraw/zinc/55/22/18/413552218.db2.gz WVOKZDBJCJOUJP-IKGGRYGDSA-N 2 2 280.456 2.678 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000651665358 413552227 /nfs/dbraw/zinc/55/22/27/413552227.db2.gz WVOKZDBJCJOUJP-IKGGRYGDSA-N 2 2 280.456 2.678 20 30 CFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000651670417 413555784 /nfs/dbraw/zinc/55/57/84/413555784.db2.gz HIKZBKCBEFVLKL-YYIAUSFCSA-N 2 2 280.456 2.820 20 30 CFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000651670417 413555797 /nfs/dbraw/zinc/55/57/97/413555797.db2.gz HIKZBKCBEFVLKL-YYIAUSFCSA-N 2 2 280.456 2.820 20 30 CFEDLP C[N@H+](CC#Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285464362 196292180 /nfs/dbraw/zinc/29/21/80/196292180.db2.gz JZNFIVBVYKJAPP-JWTNVVGKSA-N 2 2 286.394 2.734 20 30 CFEDLP C[N@@H+](CC#Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285464362 196292181 /nfs/dbraw/zinc/29/21/81/196292181.db2.gz JZNFIVBVYKJAPP-JWTNVVGKSA-N 2 2 286.394 2.734 20 30 CFEDLP C[NH+](CC#Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285464362 196292182 /nfs/dbraw/zinc/29/21/82/196292182.db2.gz JZNFIVBVYKJAPP-JWTNVVGKSA-N 2 2 286.394 2.734 20 30 CFEDLP C[NH+](CC#Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285464362 196292183 /nfs/dbraw/zinc/29/21/83/196292183.db2.gz JZNFIVBVYKJAPP-JWTNVVGKSA-N 2 2 286.394 2.734 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293646 414353401 /nfs/dbraw/zinc/35/34/01/414353401.db2.gz IHOHIWNRVUOYCP-RDJZCZTQSA-N 2 2 280.456 2.964 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331665794 228117929 /nfs/dbraw/zinc/11/79/29/228117929.db2.gz OJSWOHFIQORMIN-RHSMWYFYSA-N 2 2 280.375 2.963 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C#N ZINC000177328035 261346314 /nfs/dbraw/zinc/34/63/14/261346314.db2.gz NERYXIXYAXKBFU-CABCVRRESA-N 2 2 263.429 2.875 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C#N ZINC000177328035 261346315 /nfs/dbraw/zinc/34/63/15/261346315.db2.gz NERYXIXYAXKBFU-CABCVRRESA-N 2 2 263.429 2.875 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C#N ZINC000177328035 261346316 /nfs/dbraw/zinc/34/63/16/261346316.db2.gz NERYXIXYAXKBFU-CABCVRRESA-N 2 2 263.429 2.875 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C#N ZINC000177328035 261346319 /nfs/dbraw/zinc/34/63/19/261346319.db2.gz NERYXIXYAXKBFU-CABCVRRESA-N 2 2 263.429 2.875 20 30 CFEDLP N#C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000185784290 262070755 /nfs/dbraw/zinc/07/07/55/262070755.db2.gz DLNCLGBWLCZRFZ-DOTOQJQBSA-N 2 2 298.434 2.718 20 30 CFEDLP C=CCCOCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000120825223 262236079 /nfs/dbraw/zinc/23/60/79/262236079.db2.gz GSSYBAJZTCSDFC-UHFFFAOYSA-N 2 2 271.364 2.555 20 30 CFEDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC(C)(C)C#N ZINC000354039063 262354297 /nfs/dbraw/zinc/35/42/97/262354297.db2.gz MAOTUMOYNRCMDA-UHFFFAOYSA-N 2 2 268.364 2.854 20 30 CFEDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC(C)(C)C#N ZINC000354039063 262354299 /nfs/dbraw/zinc/35/42/99/262354299.db2.gz MAOTUMOYNRCMDA-UHFFFAOYSA-N 2 2 268.364 2.854 20 30 CFEDLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336855496 262399967 /nfs/dbraw/zinc/39/99/67/262399967.db2.gz IGDBCBPSYASFGT-ROUUACIJSA-N 2 2 294.402 2.963 20 30 CFEDLP C[N@H+](CCCCC(C)(C)C#N)CCCn1cc[nH+]c1 ZINC000277578557 263042149 /nfs/dbraw/zinc/04/21/49/263042149.db2.gz CAPSEOGYFWOFBG-UHFFFAOYSA-N 2 2 262.401 2.925 20 30 CFEDLP C[N@@H+](CCCCC(C)(C)C#N)CCCn1cc[nH+]c1 ZINC000277578557 263042150 /nfs/dbraw/zinc/04/21/50/263042150.db2.gz CAPSEOGYFWOFBG-UHFFFAOYSA-N 2 2 262.401 2.925 20 30 CFEDLP C[N@@H+]1CC[C@@H]([NH2+]CCCCC#N)[C@H]1c1ccccc1 ZINC000284337486 263086542 /nfs/dbraw/zinc/08/65/42/263086542.db2.gz QWWWZLSIFXPNFA-HZPDHXFCSA-N 2 2 257.381 2.715 20 30 CFEDLP C[N@H+]1CC[C@@H]([NH2+]CCCCC#N)[C@H]1c1ccccc1 ZINC000284337486 263086543 /nfs/dbraw/zinc/08/65/43/263086543.db2.gz QWWWZLSIFXPNFA-HZPDHXFCSA-N 2 2 257.381 2.715 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1Cl ZINC000414929465 263135782 /nfs/dbraw/zinc/13/57/82/263135782.db2.gz NXYUPAUYDLFSCL-IUODEOHRSA-N 2 2 294.826 2.992 20 30 CFEDLP C=C[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356886058 266205109 /nfs/dbraw/zinc/20/51/09/266205109.db2.gz XKQHGIDOLZZCCS-JTQLQIEISA-N 2 2 250.308 2.567 20 30 CFEDLP C=CC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370086799 267289905 /nfs/dbraw/zinc/28/99/05/267289905.db2.gz KYIAMRTYAXBPJW-UHFFFAOYSA-N 2 2 288.439 2.995 20 30 CFEDLP C=CC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370086799 267289907 /nfs/dbraw/zinc/28/99/07/267289907.db2.gz KYIAMRTYAXBPJW-UHFFFAOYSA-N 2 2 288.439 2.995 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC000192056126 270229313 /nfs/dbraw/zinc/22/93/13/270229313.db2.gz DVNAYZVEILQWCF-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC000192056126 270229315 /nfs/dbraw/zinc/22/93/15/270229315.db2.gz DVNAYZVEILQWCF-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)CC[NH+]1C ZINC000192056126 270229317 /nfs/dbraw/zinc/22/93/17/270229317.db2.gz DVNAYZVEILQWCF-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)CC[NH+]1C ZINC000192056126 270229319 /nfs/dbraw/zinc/22/93/19/270229319.db2.gz DVNAYZVEILQWCF-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)c(F)c1 ZINC000547979782 281762290 /nfs/dbraw/zinc/76/22/90/281762290.db2.gz HQXXCEACBIGGMN-BXUZGUMPSA-N 2 2 284.338 2.559 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1 ZINC000423391478 289970077 /nfs/dbraw/zinc/97/00/77/289970077.db2.gz PMSHMBWJYJZGQH-BBRMVZONSA-N 2 2 271.408 2.987 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000129598481 290031029 /nfs/dbraw/zinc/03/10/29/290031029.db2.gz DZZFBRNPQXGYOF-HEHGZKQESA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000129598481 290031030 /nfs/dbraw/zinc/03/10/30/290031030.db2.gz DZZFBRNPQXGYOF-HEHGZKQESA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000571550524 328134202 /nfs/dbraw/zinc/13/42/02/328134202.db2.gz SBCGSKWPSTWWAV-CUSZFKRNSA-N 2 2 298.434 2.574 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000571550524 328134203 /nfs/dbraw/zinc/13/42/03/328134203.db2.gz SBCGSKWPSTWWAV-CUSZFKRNSA-N 2 2 298.434 2.574 20 30 CFEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000269972127 328191366 /nfs/dbraw/zinc/19/13/66/328191366.db2.gz OROLOZONVIJPDL-UHFFFAOYSA-N 2 2 294.402 2.848 20 30 CFEDLP C=CCC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377369087 329012894 /nfs/dbraw/zinc/01/28/94/329012894.db2.gz NFHFIBBJJVQKLD-HOTGVXAUSA-N 2 2 259.397 2.582 20 30 CFEDLP C=CCC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377369087 329012895 /nfs/dbraw/zinc/01/28/95/329012895.db2.gz NFHFIBBJJVQKLD-HOTGVXAUSA-N 2 2 259.397 2.582 20 30 CFEDLP C=CCC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377369087 329012896 /nfs/dbraw/zinc/01/28/96/329012896.db2.gz NFHFIBBJJVQKLD-HOTGVXAUSA-N 2 2 259.397 2.582 20 30 CFEDLP C=CCC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377369087 329012897 /nfs/dbraw/zinc/01/28/97/329012897.db2.gz NFHFIBBJJVQKLD-HOTGVXAUSA-N 2 2 259.397 2.582 20 30 CFEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000378162631 329042112 /nfs/dbraw/zinc/04/21/12/329042112.db2.gz XJIXSTYIBFKASH-HOTGVXAUSA-N 2 2 291.439 2.798 20 30 CFEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000378162631 329042114 /nfs/dbraw/zinc/04/21/14/329042114.db2.gz XJIXSTYIBFKASH-HOTGVXAUSA-N 2 2 291.439 2.798 20 30 CFEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000177185088 329180553 /nfs/dbraw/zinc/18/05/53/329180553.db2.gz PKXGRFMCFACCGO-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000177185088 329180555 /nfs/dbraw/zinc/18/05/55/329180555.db2.gz PKXGRFMCFACCGO-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000177185088 329180557 /nfs/dbraw/zinc/18/05/57/329180557.db2.gz PKXGRFMCFACCGO-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000177185088 329180558 /nfs/dbraw/zinc/18/05/58/329180558.db2.gz PKXGRFMCFACCGO-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185221694 329268856 /nfs/dbraw/zinc/26/88/56/329268856.db2.gz CJNZMHLAIFSWLT-HOTGVXAUSA-N 2 2 280.456 2.819 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCOC[C@@H]1C)C(C)C ZINC000192469544 329432630 /nfs/dbraw/zinc/43/26/30/329432630.db2.gz HHXIMQRDVSSYFE-ULQDDVLXSA-N 2 2 280.456 2.700 20 30 CFEDLP CCc1[nH+]c2cc(CNC(=[NH2+])NC3CC3)ccc2n1C1CC1 ZINC000261717591 329979370 /nfs/dbraw/zinc/97/93/70/329979370.db2.gz WGPPEIFAZDXGIL-UHFFFAOYSA-N 2 2 297.406 2.500 20 30 CFEDLP C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422997350 330163525 /nfs/dbraw/zinc/16/35/25/330163525.db2.gz NQLGJMDOTROCDK-VNQPRFMTSA-N 2 2 257.381 2.762 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000424172304 330311772 /nfs/dbraw/zinc/31/17/72/330311772.db2.gz LOKFMWUNGIINEQ-RDJZCZTQSA-N 2 2 283.375 2.553 20 30 CFEDLP CC1CC[NH+](CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449083801 330897900 /nfs/dbraw/zinc/89/79/00/330897900.db2.gz VKUWUDOWDZHQKQ-UHFFFAOYSA-N 2 2 263.429 2.780 20 30 CFEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449548617 330935591 /nfs/dbraw/zinc/93/55/91/330935591.db2.gz PAGYWLXTLNKNKA-CVEARBPZSA-N 2 2 260.381 2.646 20 30 CFEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]CCC#N)c(C)c1 ZINC000575796751 335115684 /nfs/dbraw/zinc/11/56/84/335115684.db2.gz HZWQRJLRSSXRKX-INIZCTEOSA-N 2 2 268.364 2.745 20 30 CFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000544599993 333939178 /nfs/dbraw/zinc/93/91/78/333939178.db2.gz VHLXGCHVPYOBTQ-IJEWVQPXSA-N 2 2 263.429 2.779 20 30 CFEDLP N#CCc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000342692245 335185721 /nfs/dbraw/zinc/18/57/21/335185721.db2.gz KIOSIDGPGFNNKY-UHFFFAOYSA-N 2 2 283.419 2.813 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000181716970 335780423 /nfs/dbraw/zinc/78/04/23/335780423.db2.gz CVIPUJVACOBPAP-CVEARBPZSA-N 2 2 280.456 2.820 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000582012077 336191741 /nfs/dbraw/zinc/19/17/41/336191741.db2.gz VZDDRPKENTZGLQ-HNNXBMFYSA-N 2 2 268.364 2.963 20 30 CFEDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000337888792 521643800 /nfs/dbraw/zinc/64/38/00/521643800.db2.gz XZLLCEVCQFKQLV-CQSZACIVSA-N 2 2 275.371 2.519 20 30 CFEDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000337888792 521643802 /nfs/dbraw/zinc/64/38/02/521643802.db2.gz XZLLCEVCQFKQLV-CQSZACIVSA-N 2 2 275.371 2.519 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OCC)n2)CC1 ZINC000344236692 526604695 /nfs/dbraw/zinc/60/46/95/526604695.db2.gz AEAHTTMDJIHFQS-UHFFFAOYSA-N 2 2 289.423 2.610 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000353875432 526891170 /nfs/dbraw/zinc/89/11/70/526891170.db2.gz YWOPHQFIUCQMJM-KDOFPFPSSA-N 2 2 286.419 2.824 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000353875432 526891174 /nfs/dbraw/zinc/89/11/74/526891174.db2.gz YWOPHQFIUCQMJM-KDOFPFPSSA-N 2 2 286.419 2.824 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000347081272 526900944 /nfs/dbraw/zinc/90/09/44/526900944.db2.gz XRYFICAFHZVXJX-WMLDXEAASA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000347081272 526900949 /nfs/dbraw/zinc/90/09/49/526900949.db2.gz XRYFICAFHZVXJX-WMLDXEAASA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353569884 527192221 /nfs/dbraw/zinc/19/22/21/527192221.db2.gz HHPDOEUVTDDXOA-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C=CCCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000353569884 527192227 /nfs/dbraw/zinc/19/22/27/527192227.db2.gz HHPDOEUVTDDXOA-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C=CCCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000353569884 527192231 /nfs/dbraw/zinc/19/22/31/527192231.db2.gz HHPDOEUVTDDXOA-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP C=CCCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000353569884 527192233 /nfs/dbraw/zinc/19/22/33/527192233.db2.gz HHPDOEUVTDDXOA-UHFFFAOYSA-N 2 2 250.386 3.000 20 30 CFEDLP N#CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000731213546 574113160 /nfs/dbraw/zinc/11/31/60/574113160.db2.gz YXZYUFOXPCCQGO-MRXNPFEDSA-N 2 2 296.374 2.623 20 30 CFEDLP N#CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000731213546 574113162 /nfs/dbraw/zinc/11/31/62/574113162.db2.gz YXZYUFOXPCCQGO-MRXNPFEDSA-N 2 2 296.374 2.623 20 30 CFEDLP C#CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248170991 618169174 /nfs/dbraw/zinc/16/91/74/618169174.db2.gz USWVRICSYDFYDP-ROUUACIJSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248170991 618169175 /nfs/dbraw/zinc/16/91/75/618169175.db2.gz USWVRICSYDFYDP-ROUUACIJSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248170991 618169177 /nfs/dbraw/zinc/16/91/77/618169177.db2.gz USWVRICSYDFYDP-ROUUACIJSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248170991 618169178 /nfs/dbraw/zinc/16/91/78/618169178.db2.gz USWVRICSYDFYDP-ROUUACIJSA-N 2 2 268.404 2.606 20 30 CFEDLP C=CC[NH+]1CCC(Nc2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC000892397196 618224721 /nfs/dbraw/zinc/22/47/21/618224721.db2.gz SLDQUTJKSXSEHQ-UHFFFAOYSA-N 2 2 285.395 2.583 20 30 CFEDLP CC(C)C[N@H+](C)CCC[NH2+]CC#Cc1ccccc1 ZINC000895136278 618364380 /nfs/dbraw/zinc/36/43/80/618364380.db2.gz GBWOMCCKIGAQOC-UHFFFAOYSA-N 2 2 258.409 2.606 20 30 CFEDLP CC(C)C[N@@H+](C)CCC[NH2+]CC#Cc1ccccc1 ZINC000895136278 618364384 /nfs/dbraw/zinc/36/43/84/618364384.db2.gz GBWOMCCKIGAQOC-UHFFFAOYSA-N 2 2 258.409 2.606 20 30 CFEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926841190 618735819 /nfs/dbraw/zinc/73/58/19/618735819.db2.gz XNLMXJOCOVSMQM-LUKYLMHMSA-N 2 2 260.425 2.785 20 30 CFEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926841190 618735821 /nfs/dbraw/zinc/73/58/21/618735821.db2.gz XNLMXJOCOVSMQM-LUKYLMHMSA-N 2 2 260.425 2.785 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CSCCC)CC1 ZINC000892881378 618762710 /nfs/dbraw/zinc/76/27/10/618762710.db2.gz VGOJRMHDSDWQEQ-ZDUSSCGKSA-N 2 2 256.459 2.758 20 30 CFEDLP CC1(C)[C@H]([NH2+]CC2(C#N)CCCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925704208 618958317 /nfs/dbraw/zinc/95/83/17/618958317.db2.gz CKDZRYCAXRNRPN-QLFBSQMISA-N 2 2 275.440 2.827 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000924983635 619316729 /nfs/dbraw/zinc/31/67/29/619316729.db2.gz HQMIRDBXEFRDHJ-MRXNPFEDSA-N 2 2 278.440 2.718 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925173212 620004955 /nfs/dbraw/zinc/00/49/55/620004955.db2.gz XKABAQZVFQFOIO-QWHCGFSZSA-N 2 2 260.385 2.678 20 30 CFEDLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000926966797 620434384 /nfs/dbraw/zinc/43/43/84/620434384.db2.gz YEICZWYMZJOXTJ-ROUUACIJSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000926966797 620434387 /nfs/dbraw/zinc/43/43/87/620434387.db2.gz YEICZWYMZJOXTJ-ROUUACIJSA-N 2 2 283.419 2.973 20 30 CFEDLP CCCCCCCC[C@H]([NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000900017321 620623535 /nfs/dbraw/zinc/62/35/35/620623535.db2.gz CJJAZGCKFWQKBO-NSHDSACASA-N 2 2 266.389 2.768 20 30 CFEDLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000902449235 621090718 /nfs/dbraw/zinc/09/07/18/621090718.db2.gz NCFOVTBWGCWIJS-JKSUJKDBSA-N 2 2 269.392 2.523 20 30 CFEDLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000902449234 621091016 /nfs/dbraw/zinc/09/10/16/621091016.db2.gz NCFOVTBWGCWIJS-HZPDHXFCSA-N 2 2 269.392 2.523 20 30 CFEDLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902728297 621159358 /nfs/dbraw/zinc/15/93/58/621159358.db2.gz PPUGFKRKVAFTOT-CABCVRRESA-N 2 2 286.423 2.868 20 30 CFEDLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902728297 621159361 /nfs/dbraw/zinc/15/93/61/621159361.db2.gz PPUGFKRKVAFTOT-CABCVRRESA-N 2 2 286.423 2.868 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903001290 621225772 /nfs/dbraw/zinc/22/57/72/621225772.db2.gz SXSLUXSIKHXFIV-GFCCVEGCSA-N 2 2 299.340 2.706 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903001290 621225776 /nfs/dbraw/zinc/22/57/76/621225776.db2.gz SXSLUXSIKHXFIV-GFCCVEGCSA-N 2 2 299.340 2.706 20 30 CFEDLP C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903012077 621229434 /nfs/dbraw/zinc/22/94/34/621229434.db2.gz MXTREXDDTLOWLK-HOCLYGCPSA-N 2 2 285.391 2.850 20 30 CFEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000903452685 621387482 /nfs/dbraw/zinc/38/74/82/621387482.db2.gz QOWKTFUOGHATON-HNNXBMFYSA-N 2 2 277.799 2.915 20 30 CFEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000903452685 621387485 /nfs/dbraw/zinc/38/74/85/621387485.db2.gz QOWKTFUOGHATON-HNNXBMFYSA-N 2 2 277.799 2.915 20 30 CFEDLP N#CC1(CCCC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000903749587 621432453 /nfs/dbraw/zinc/43/24/53/621432453.db2.gz MKSKDZFURMKRMS-LSDHHAIUSA-N 2 2 261.413 2.534 20 30 CFEDLP N#CC1(CCCC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000903749587 621432455 /nfs/dbraw/zinc/43/24/55/621432455.db2.gz MKSKDZFURMKRMS-LSDHHAIUSA-N 2 2 261.413 2.534 20 30 CFEDLP N#CC1(CCCC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)CCC1 ZINC000903780325 621440976 /nfs/dbraw/zinc/44/09/76/621440976.db2.gz FTEMKMLANFIRRC-GJZGRUSLSA-N 2 2 261.413 2.677 20 30 CFEDLP N#CC1(CCCC[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)CCC1 ZINC000903780325 621440978 /nfs/dbraw/zinc/44/09/78/621440978.db2.gz FTEMKMLANFIRRC-GJZGRUSLSA-N 2 2 261.413 2.677 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000156563390 622946463 /nfs/dbraw/zinc/94/64/63/622946463.db2.gz ZBSHVTDIANGESW-DOTOQJQBSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000156563390 622946468 /nfs/dbraw/zinc/94/64/68/622946468.db2.gz ZBSHVTDIANGESW-DOTOQJQBSA-N 2 2 286.419 2.834 20 30 CFEDLP C=CC[C@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000826945782 623912811 /nfs/dbraw/zinc/91/28/11/623912811.db2.gz BRPUGRHLWIVKRT-ZDUSSCGKSA-N 2 2 279.453 2.993 20 30 CFEDLP C=CC[C@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000826945782 623912813 /nfs/dbraw/zinc/91/28/13/623912813.db2.gz BRPUGRHLWIVKRT-ZDUSSCGKSA-N 2 2 279.453 2.993 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000237693684 624972479 /nfs/dbraw/zinc/97/24/79/624972479.db2.gz ABRBHUXQALVXBI-HNNXBMFYSA-N 2 2 299.418 2.717 20 30 CFEDLP CCCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000766750869 627219009 /nfs/dbraw/zinc/21/90/09/627219009.db2.gz PPAQJINLLIWWMI-UHFFFAOYSA-N 2 2 263.385 2.575 20 30 CFEDLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776163772 628109916 /nfs/dbraw/zinc/10/99/16/628109916.db2.gz WEUSNHMCSAKTGG-LSDHHAIUSA-N 2 2 287.407 2.724 20 30 CFEDLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776163772 628109919 /nfs/dbraw/zinc/10/99/19/628109919.db2.gz WEUSNHMCSAKTGG-LSDHHAIUSA-N 2 2 287.407 2.724 20 30 CFEDLP C#C[C@](C)(CC)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000852103359 634657795 /nfs/dbraw/zinc/65/77/95/634657795.db2.gz FNDLQTZAGNCBQZ-LJQANCHMSA-N 2 2 299.462 2.590 20 30 CFEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938135 632743251 /nfs/dbraw/zinc/74/32/51/632743251.db2.gz FDBAVLZWVBANOH-GRDNDAEWSA-N 2 2 275.440 2.943 20 30 CFEDLP CCC(=[NH+]NCCCn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000848418976 633255902 /nfs/dbraw/zinc/25/59/02/633255902.db2.gz TWXKJGCVISLTLC-UHFFFAOYSA-N 2 2 299.422 2.743 20 30 CFEDLP C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C[NH+]1CCCC1 ZINC000866239189 638777439 /nfs/dbraw/zinc/77/74/39/638777439.db2.gz ROAHODXIMHBXFE-KBPBESRZSA-N 2 2 287.407 2.646 20 30 CFEDLP C=C(Br)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000125097420 642435535 /nfs/dbraw/zinc/43/55/35/642435535.db2.gz OANUENABOKMPEP-UHFFFAOYSA-N 2 2 296.212 2.549 20 30 CFEDLP N#CCC1(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000880568789 644769780 /nfs/dbraw/zinc/76/97/80/644769780.db2.gz CRJZLGJMPCKIRC-MRXNPFEDSA-N 2 2 280.375 2.908 20 30 CFEDLP CCc1ccc([C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C)cc1 ZINC000303772466 651001606 /nfs/dbraw/zinc/00/16/06/651001606.db2.gz DPAYXSPERKBYFA-OAHLLOKOSA-N 2 2 290.455 2.555 20 30 CFEDLP C=CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CCCO1 ZINC000883176020 645641823 /nfs/dbraw/zinc/64/18/23/645641823.db2.gz UAYBZBPPVFRUTM-JKSUJKDBSA-N 2 2 277.412 2.767 20 30 CFEDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1C#N ZINC000887130296 647221841 /nfs/dbraw/zinc/22/18/41/647221841.db2.gz BAAFFPFGLAQHRE-OAHLLOKOSA-N 2 2 292.386 2.664 20 30 CFEDLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1C#N ZINC000887130296 647221843 /nfs/dbraw/zinc/22/18/43/647221843.db2.gz BAAFFPFGLAQHRE-OAHLLOKOSA-N 2 2 292.386 2.664 20 30 CFEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CC[N@H+]2CC)c(O)c1 ZINC000887270525 647256922 /nfs/dbraw/zinc/25/69/22/647256922.db2.gz PCIZSIMOUKKLQB-IQFISFIMSA-N 2 2 289.423 2.752 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000925011927 648088660 /nfs/dbraw/zinc/08/86/60/648088660.db2.gz SUQTZTUGCXFGNX-CZUORRHYSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000925011927 648088662 /nfs/dbraw/zinc/08/86/62/648088662.db2.gz SUQTZTUGCXFGNX-CZUORRHYSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CCSCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925591633 648230423 /nfs/dbraw/zinc/23/04/23/648230423.db2.gz RMNDERYKZOLLJV-JSGCOSHPSA-N 2 2 250.411 2.584 20 30 CFEDLP C=CCSCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925591634 648230519 /nfs/dbraw/zinc/23/05/19/648230519.db2.gz RMNDERYKZOLLJV-OCCSQVGLSA-N 2 2 250.411 2.584 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000925619623 648242926 /nfs/dbraw/zinc/24/29/26/648242926.db2.gz PTDQGAOHLTUGQP-LXZKKBNFSA-N 2 2 287.407 2.598 20 30 CFEDLP CSc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1C#N ZINC000925773867 648317105 /nfs/dbraw/zinc/31/71/05/648317105.db2.gz PYNRBWKWBWDXJV-WFASDCNBSA-N 2 2 289.448 2.900 20 30 CFEDLP CSc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1C#N ZINC000925773914 648317515 /nfs/dbraw/zinc/31/75/15/648317515.db2.gz QGNICHMDRIIPBQ-LLVKDONJSA-N 2 2 298.415 2.939 20 30 CFEDLP CCO[C@@H](C[NH2+][C@H](CC)c1ccc(C#N)cc1)C[NH+](C)C ZINC000926958222 648670415 /nfs/dbraw/zinc/67/04/15/648670415.db2.gz FDFVUEFFEKKZNW-DLBZAZTESA-N 2 2 289.423 2.566 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000930125286 649189838 /nfs/dbraw/zinc/18/98/38/649189838.db2.gz NPNIOOWNYOOWJM-UHFFFAOYSA-N 2 2 282.391 2.894 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000930125286 649189839 /nfs/dbraw/zinc/18/98/39/649189839.db2.gz NPNIOOWNYOOWJM-UHFFFAOYSA-N 2 2 282.391 2.894 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315574 649406745 /nfs/dbraw/zinc/40/67/45/649406745.db2.gz XZFINSAUAWKKDR-ROUUACIJSA-N 2 2 283.419 2.640 20 30 CFEDLP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)[NH+]1CCCCC1 ZINC000695787368 776011990 /nfs/dbraw/zinc/01/19/90/776011990.db2.gz MGZHPFJXJHDXNM-UONOGXRCSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@H]1C#N ZINC001167833529 776570894 /nfs/dbraw/zinc/57/08/94/776570894.db2.gz CAXFNVGLDVOZTM-CABCVRRESA-N 2 2 251.418 2.875 20 30 CFEDLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@H]1C#N ZINC001167833529 776570898 /nfs/dbraw/zinc/57/08/98/776570898.db2.gz CAXFNVGLDVOZTM-CABCVRRESA-N 2 2 251.418 2.875 20 30 CFEDLP C(#Cc1ccccc1C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC001204674745 776697934 /nfs/dbraw/zinc/69/79/34/776697934.db2.gz BXYRPFWTUFRFTO-UHFFFAOYSA-N 2 2 290.410 2.882 20 30 CFEDLP C(#Cc1ccccc1C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC001204674745 776697940 /nfs/dbraw/zinc/69/79/40/776697940.db2.gz BXYRPFWTUFRFTO-UHFFFAOYSA-N 2 2 290.410 2.882 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC001167899214 776740058 /nfs/dbraw/zinc/74/00/58/776740058.db2.gz XTMMLZPEOUQIJL-DZFIZOCASA-N 2 2 295.430 2.911 20 30 CFEDLP C=CCOc1cccc(C[N@H+](CC)CCn2cc[nH+]c2)c1 ZINC001231624188 777283668 /nfs/dbraw/zinc/28/36/68/777283668.db2.gz JEIOQJXRAAXAGS-UHFFFAOYSA-N 2 2 285.391 2.970 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](CC)CCn2cc[nH+]c2)c1 ZINC001231624188 777283675 /nfs/dbraw/zinc/28/36/75/777283675.db2.gz JEIOQJXRAAXAGS-UHFFFAOYSA-N 2 2 285.391 2.970 20 30 CFEDLP C=CCCCCCC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235116252 778387695 /nfs/dbraw/zinc/38/76/95/778387695.db2.gz UOGXOYGSHWUSJV-INIZCTEOSA-N 2 2 266.429 2.577 20 30 CFEDLP C=CCCCCCC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235116252 778387699 /nfs/dbraw/zinc/38/76/99/778387699.db2.gz UOGXOYGSHWUSJV-INIZCTEOSA-N 2 2 266.429 2.577 20 30 CFEDLP C=CCCCCCCC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115395 778387760 /nfs/dbraw/zinc/38/77/60/778387760.db2.gz RCQQWAWESIYXEN-KRWDZBQOSA-N 2 2 280.456 2.967 20 30 CFEDLP C=CCCCCCCC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115395 778387766 /nfs/dbraw/zinc/38/77/66/778387766.db2.gz RCQQWAWESIYXEN-KRWDZBQOSA-N 2 2 280.456 2.967 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235176721 778404567 /nfs/dbraw/zinc/40/45/67/778404567.db2.gz FHNVZNDRBFTYPR-GOSISDBHSA-N 2 2 283.419 2.975 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235176721 778404573 /nfs/dbraw/zinc/40/45/73/778404573.db2.gz FHNVZNDRBFTYPR-GOSISDBHSA-N 2 2 283.419 2.975 20 30 CFEDLP C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235185733 778405667 /nfs/dbraw/zinc/40/56/67/778405667.db2.gz WYWMIGDHPBXBMZ-WBVHZDCISA-N 2 2 286.419 2.683 20 30 CFEDLP C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235185733 778405670 /nfs/dbraw/zinc/40/56/70/778405670.db2.gz WYWMIGDHPBXBMZ-WBVHZDCISA-N 2 2 286.419 2.683 20 30 CFEDLP CCCCCCCC[N@H+](C)CC1=CS[C@@H]([NH3+])N1 ZINC001235663555 778530607 /nfs/dbraw/zinc/53/06/07/778530607.db2.gz IZVLTKZPKNITPU-ZDUSSCGKSA-N 2 2 257.447 2.699 20 30 CFEDLP CCCCCCCC[N@@H+](C)CC1=CS[C@@H]([NH3+])N1 ZINC001235663555 778530609 /nfs/dbraw/zinc/53/06/09/778530609.db2.gz IZVLTKZPKNITPU-ZDUSSCGKSA-N 2 2 257.447 2.699 20 30 CFEDLP N#Cc1ccc(C2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236182020 778728812 /nfs/dbraw/zinc/72/88/12/778728812.db2.gz MPZASLADLUXKBH-SFHVURJKSA-N 2 2 283.419 2.880 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205068476 778981889 /nfs/dbraw/zinc/98/18/89/778981889.db2.gz IYZHIWMKNCWQMX-ZFWWWQNUSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205068476 778981892 /nfs/dbraw/zinc/98/18/92/778981892.db2.gz IYZHIWMKNCWQMX-ZFWWWQNUSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCCCCCCCC[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237173747 779036324 /nfs/dbraw/zinc/03/63/24/779036324.db2.gz AVQZWMSQMCDRLQ-HNNXBMFYSA-N 2 2 266.429 2.563 20 30 CFEDLP C=CCCCCCCCC[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237173747 779036326 /nfs/dbraw/zinc/03/63/26/779036326.db2.gz AVQZWMSQMCDRLQ-HNNXBMFYSA-N 2 2 266.429 2.563 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(Cl)c1 ZINC001205124020 779269864 /nfs/dbraw/zinc/26/98/64/779269864.db2.gz IWYMZEPWQJWHSS-CYBMUJFWSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(Cl)c1 ZINC001205124020 779269867 /nfs/dbraw/zinc/26/98/67/779269867.db2.gz IWYMZEPWQJWHSS-CYBMUJFWSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001240160910 779979477 /nfs/dbraw/zinc/97/94/77/779979477.db2.gz QULSQPGWRYZOAD-INIZCTEOSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1F ZINC001240160910 779979487 /nfs/dbraw/zinc/97/94/87/779979487.db2.gz QULSQPGWRYZOAD-INIZCTEOSA-N 2 2 295.361 2.897 20 30 CFEDLP CNc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c[nH+]1 ZINC001203448763 780636870 /nfs/dbraw/zinc/63/68/70/780636870.db2.gz IZDIDOQSTRHKRI-UHFFFAOYSA-N 2 2 299.403 2.788 20 30 CFEDLP CNc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c[nH+]1 ZINC001203448763 780636874 /nfs/dbraw/zinc/63/68/74/780636874.db2.gz IZDIDOQSTRHKRI-UHFFFAOYSA-N 2 2 299.403 2.788 20 30 CFEDLP N#Cc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241659002 781052342 /nfs/dbraw/zinc/05/23/42/781052342.db2.gz SMIMEJOQQVRDCP-GOSISDBHSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241659002 781052352 /nfs/dbraw/zinc/05/23/52/781052352.db2.gz SMIMEJOQQVRDCP-GOSISDBHSA-N 2 2 295.361 2.897 20 30 CFEDLP C#Cc1cccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241920027 781182601 /nfs/dbraw/zinc/18/26/01/781182601.db2.gz RLPZJENWPPSYAI-IBGZPJMESA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1cccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241920027 781182608 /nfs/dbraw/zinc/18/26/08/781182608.db2.gz RLPZJENWPPSYAI-IBGZPJMESA-N 2 2 276.383 2.868 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000709979072 781324623 /nfs/dbraw/zinc/32/46/23/781324623.db2.gz FVAOKAXSHGGYTH-OLZOCXBDSA-N 2 2 251.418 2.777 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000709979072 781324628 /nfs/dbraw/zinc/32/46/28/781324628.db2.gz FVAOKAXSHGGYTH-OLZOCXBDSA-N 2 2 251.418 2.777 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594522468 349440921 /nfs/dbraw/zinc/44/09/21/349440921.db2.gz YKROZSBZKXEEKL-DLBZAZTESA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594522468 349440924 /nfs/dbraw/zinc/44/09/24/349440924.db2.gz YKROZSBZKXEEKL-DLBZAZTESA-N 2 2 269.392 2.665 20 30 CFEDLP CC(C)(C#N)c1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000594607411 349460500 /nfs/dbraw/zinc/46/05/00/349460500.db2.gz UKHLOGQPBAPKQM-UHFFFAOYSA-N 2 2 283.419 2.768 20 30 CFEDLP CC(C)(C#N)c1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000594607411 349460504 /nfs/dbraw/zinc/46/05/04/349460504.db2.gz UKHLOGQPBAPKQM-UHFFFAOYSA-N 2 2 283.419 2.768 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594948601 349525072 /nfs/dbraw/zinc/52/50/72/349525072.db2.gz AKOHJIZFNSOAJH-KRWDZBQOSA-N 2 2 292.386 2.868 20 30 CFEDLP N#Cc1ccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCC2)cc1 ZINC000594950350 349525309 /nfs/dbraw/zinc/52/53/09/349525309.db2.gz KUXAISRMLYTLSM-UHFFFAOYSA-N 2 2 292.386 2.870 20 30 CFEDLP N#Cc1ccc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000595344065 349606119 /nfs/dbraw/zinc/60/61/19/349606119.db2.gz KOMIDDQABMYGBU-UHFFFAOYSA-N 2 2 280.375 2.703 20 30 CFEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000595375323 349612206 /nfs/dbraw/zinc/61/22/06/349612206.db2.gz BXNBAYJEGHGTAK-INIZCTEOSA-N 2 2 280.375 2.703 20 30 CFEDLP N#Cc1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000595375323 349612209 /nfs/dbraw/zinc/61/22/09/349612209.db2.gz BXNBAYJEGHGTAK-INIZCTEOSA-N 2 2 280.375 2.703 20 30 CFEDLP CC[NH+](CCC(C)CC[N@@H+](CC)[C@H](C)C#N)[C@H](C)C#N ZINC000595820444 349742642 /nfs/dbraw/zinc/74/26/42/349742642.db2.gz VHKIDSFSFPVOMF-HZPDHXFCSA-N 2 2 278.444 2.871 20 30 CFEDLP CC[NH+](CCC(C)CC[N@H+](CC)[C@H](C)C#N)[C@H](C)C#N ZINC000595820444 349742648 /nfs/dbraw/zinc/74/26/48/349742648.db2.gz VHKIDSFSFPVOMF-HZPDHXFCSA-N 2 2 278.444 2.871 20 30 CFEDLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890129 349763138 /nfs/dbraw/zinc/76/31/38/349763138.db2.gz YBRBTYNMEFUTNJ-CMPLNLGQSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890129 349763141 /nfs/dbraw/zinc/76/31/41/349763141.db2.gz YBRBTYNMEFUTNJ-CMPLNLGQSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@]1(C#N)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000595840876 349752055 /nfs/dbraw/zinc/75/20/55/349752055.db2.gz QJAYFIDFDNDKPK-MRXNPFEDSA-N 2 2 266.348 2.608 20 30 CFEDLP C[C@]1(C#N)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000595840876 349752059 /nfs/dbraw/zinc/75/20/59/349752059.db2.gz QJAYFIDFDNDKPK-MRXNPFEDSA-N 2 2 266.348 2.608 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080973223 347391369 /nfs/dbraw/zinc/39/13/69/347391369.db2.gz RTAVHTBBIHLRPI-HNNXBMFYSA-N 2 2 266.348 2.661 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080973223 347391370 /nfs/dbraw/zinc/39/13/70/347391370.db2.gz RTAVHTBBIHLRPI-HNNXBMFYSA-N 2 2 266.348 2.661 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC#N ZINC000081013252 347396038 /nfs/dbraw/zinc/39/60/38/347396038.db2.gz KHMDNXAKFXLKHR-RDJZCZTQSA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC#N ZINC000081013252 347396040 /nfs/dbraw/zinc/39/60/40/347396040.db2.gz KHMDNXAKFXLKHR-RDJZCZTQSA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCC#N ZINC000081013252 347396044 /nfs/dbraw/zinc/39/60/44/347396044.db2.gz KHMDNXAKFXLKHR-RDJZCZTQSA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCC#N ZINC000081013252 347396046 /nfs/dbraw/zinc/39/60/46/347396046.db2.gz KHMDNXAKFXLKHR-RDJZCZTQSA-N 2 2 271.408 2.742 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000090047573 347536902 /nfs/dbraw/zinc/53/69/02/347536902.db2.gz MOHHOHXUUQAQJB-CVEARBPZSA-N 2 2 268.445 2.822 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000151143064 347960141 /nfs/dbraw/zinc/96/01/41/347960141.db2.gz LKBXCTFXNLCZEN-MLGOLLRUSA-N 2 2 275.371 2.517 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000151143064 347960143 /nfs/dbraw/zinc/96/01/43/347960143.db2.gz LKBXCTFXNLCZEN-MLGOLLRUSA-N 2 2 275.371 2.517 20 30 CFEDLP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340107512 539639912 /nfs/dbraw/zinc/63/99/12/539639912.db2.gz FTKSKTHJSUTSAY-UHFFFAOYSA-N 2 2 292.386 2.584 20 30 CFEDLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589310582 348826604 /nfs/dbraw/zinc/82/66/04/348826604.db2.gz XCYNVGZXISIKRE-ZDUSSCGKSA-N 2 2 297.324 2.761 20 30 CFEDLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000589310582 348826609 /nfs/dbraw/zinc/82/66/09/348826609.db2.gz XCYNVGZXISIKRE-ZDUSSCGKSA-N 2 2 297.324 2.761 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000589350026 348829051 /nfs/dbraw/zinc/82/90/51/348829051.db2.gz UFLQOKCKFAKOLW-ZBFHGGJFSA-N 2 2 292.386 2.806 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000589350026 348829054 /nfs/dbraw/zinc/82/90/54/348829054.db2.gz UFLQOKCKFAKOLW-ZBFHGGJFSA-N 2 2 292.386 2.806 20 30 CFEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000591573267 349030823 /nfs/dbraw/zinc/03/08/23/349030823.db2.gz CYOKUKABUWBIDT-ABAIWWIYSA-N 2 2 277.799 2.832 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000594501323 349431935 /nfs/dbraw/zinc/43/19/35/349431935.db2.gz YXCPFWXAOHAGJM-MRXNPFEDSA-N 2 2 283.419 2.814 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000594501323 349431938 /nfs/dbraw/zinc/43/19/38/349431938.db2.gz YXCPFWXAOHAGJM-MRXNPFEDSA-N 2 2 283.419 2.814 20 30 CFEDLP Cc1[nH+]cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000596980208 350011289 /nfs/dbraw/zinc/01/12/89/350011289.db2.gz VXJPASUQKFXFAU-UHFFFAOYSA-N 2 2 280.375 2.765 20 30 CFEDLP Cc1[nH+]cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000596980208 350011290 /nfs/dbraw/zinc/01/12/90/350011290.db2.gz VXJPASUQKFXFAU-UHFFFAOYSA-N 2 2 280.375 2.765 20 30 CFEDLP C[C@]1(C#N)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000597232688 350065757 /nfs/dbraw/zinc/06/57/57/350065757.db2.gz VLUWGZKYECGMJY-CQSZACIVSA-N 2 2 272.377 2.669 20 30 CFEDLP C[C@]1(C#N)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000597232688 350065759 /nfs/dbraw/zinc/06/57/59/350065759.db2.gz VLUWGZKYECGMJY-CQSZACIVSA-N 2 2 272.377 2.669 20 30 CFEDLP C=CCC[C@H](O)C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000091075315 180094359 /nfs/dbraw/zinc/09/43/59/180094359.db2.gz RZNPEXDEPMOUGV-KRWDZBQOSA-N 2 2 290.451 2.814 20 30 CFEDLP C=CCC[C@H](O)C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000091075315 180094362 /nfs/dbraw/zinc/09/43/62/180094362.db2.gz RZNPEXDEPMOUGV-KRWDZBQOSA-N 2 2 290.451 2.814 20 30 CFEDLP C=CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000271351693 191090397 /nfs/dbraw/zinc/09/03/97/191090397.db2.gz DFVWJDKXYPYWRW-INIZCTEOSA-N 2 2 299.418 2.664 20 30 CFEDLP C=CC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C1CC1 ZINC000271351693 191090399 /nfs/dbraw/zinc/09/03/99/191090399.db2.gz DFVWJDKXYPYWRW-INIZCTEOSA-N 2 2 299.418 2.664 20 30 CFEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000599088699 350373997 /nfs/dbraw/zinc/37/39/97/350373997.db2.gz SPPPBGZFQAXPRE-RDJZCZTQSA-N 2 2 269.392 2.619 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000599088699 350373999 /nfs/dbraw/zinc/37/39/99/350373999.db2.gz SPPPBGZFQAXPRE-RDJZCZTQSA-N 2 2 269.392 2.619 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccc(C#N)cc1 ZINC000600710795 350599478 /nfs/dbraw/zinc/59/94/78/350599478.db2.gz PFFQRJSEKIRDSS-OWCLPIDISA-N 2 2 257.381 2.739 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[NH+]1CCCCCC1 ZINC000602513456 350910891 /nfs/dbraw/zinc/91/08/91/350910891.db2.gz YKOPVIPEJQBTEU-INIZCTEOSA-N 2 2 293.455 2.551 20 30 CFEDLP N#CC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000602515573 350912007 /nfs/dbraw/zinc/91/20/07/350912007.db2.gz QAESZHLJMDLEIP-UHFFFAOYSA-N 2 2 284.407 2.722 20 30 CFEDLP N#CC1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000602535126 350916619 /nfs/dbraw/zinc/91/66/19/350916619.db2.gz NPXLDGLYXOMQGI-UHFFFAOYSA-N 2 2 272.396 2.946 20 30 CFEDLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1ccncc1C#N ZINC000603122387 351106643 /nfs/dbraw/zinc/10/66/43/351106643.db2.gz VXDBESPDPOXESY-UHFFFAOYSA-N 2 2 286.423 2.651 20 30 CFEDLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccncc1C#N ZINC000603122387 351106645 /nfs/dbraw/zinc/10/66/45/351106645.db2.gz VXDBESPDPOXESY-UHFFFAOYSA-N 2 2 286.423 2.651 20 30 CFEDLP C=CCOCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312529469 539863834 /nfs/dbraw/zinc/86/38/34/539863834.db2.gz HBOQAASTJPVVHJ-AWEZNQCLSA-N 2 2 271.364 2.726 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000618577751 352817327 /nfs/dbraw/zinc/81/73/27/352817327.db2.gz FCKREOQJZQBDAD-FMKPAKJESA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000618577751 352817328 /nfs/dbraw/zinc/81/73/28/352817328.db2.gz FCKREOQJZQBDAD-FMKPAKJESA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000618804462 352883803 /nfs/dbraw/zinc/88/38/03/352883803.db2.gz ADQCPLSVQDKKNX-HNJNHCNJSA-N 2 2 281.403 2.760 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000618804462 352883808 /nfs/dbraw/zinc/88/38/08/352883808.db2.gz ADQCPLSVQDKKNX-HNJNHCNJSA-N 2 2 281.403 2.760 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156452438 188263826 /nfs/dbraw/zinc/26/38/26/188263826.db2.gz IEYOAFNTWCHQAJ-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156452438 188263827 /nfs/dbraw/zinc/26/38/27/188263827.db2.gz IEYOAFNTWCHQAJ-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000622005820 353465124 /nfs/dbraw/zinc/46/51/24/353465124.db2.gz MUKJOLHEIVTKPA-WBVHZDCISA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000622005820 353465127 /nfs/dbraw/zinc/46/51/27/353465127.db2.gz MUKJOLHEIVTKPA-WBVHZDCISA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCCCCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625546272 354067954 /nfs/dbraw/zinc/06/79/54/354067954.db2.gz NJDAYCFJHZYJBA-UHFFFAOYSA-N 2 2 266.429 2.529 20 30 CFEDLP C[C@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271836480 191356808 /nfs/dbraw/zinc/35/68/08/191356808.db2.gz FZDHMTFVHOXSOF-YOEHRIQHSA-N 2 2 283.419 2.768 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C)cc2F)CC1 ZINC000631064311 355271338 /nfs/dbraw/zinc/27/13/38/355271338.db2.gz JWQBQNNZTRUMSF-UHFFFAOYSA-N 2 2 262.372 2.874 20 30 CFEDLP C=CCOCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000294505435 199066136 /nfs/dbraw/zinc/06/61/36/199066136.db2.gz IJOZUISCDOBEDB-CQSZACIVSA-N 2 2 271.364 2.726 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000294861471 199218339 /nfs/dbraw/zinc/21/83/39/199218339.db2.gz BZWOANZHJXCBFM-ZDUSSCGKSA-N 2 2 296.361 2.894 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000294861471 199218341 /nfs/dbraw/zinc/21/83/41/199218341.db2.gz BZWOANZHJXCBFM-ZDUSSCGKSA-N 2 2 296.361 2.894 20 30 CFEDLP C=CC[NH+]1CCC(Nc2[nH+]c3ccccc3n2C)CC1 ZINC000179292921 189183519 /nfs/dbraw/zinc/18/35/19/189183519.db2.gz OKXWDVOSUMVZMK-UHFFFAOYSA-N 2 2 270.380 2.636 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000180611947 189265117 /nfs/dbraw/zinc/26/51/17/189265117.db2.gz UREMXVMKLOSTAE-WFASDCNBSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000180611947 189265118 /nfs/dbraw/zinc/26/51/18/189265118.db2.gz UREMXVMKLOSTAE-WFASDCNBSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101582 189347103 /nfs/dbraw/zinc/34/71/03/189347103.db2.gz UNUINPFKJTUYSV-UONOGXRCSA-N 2 2 287.407 2.894 20 30 CFEDLP C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101582 189347104 /nfs/dbraw/zinc/34/71/04/189347104.db2.gz UNUINPFKJTUYSV-UONOGXRCSA-N 2 2 287.407 2.894 20 30 CFEDLP Cc1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)ccc1C#N ZINC000331778450 204150520 /nfs/dbraw/zinc/15/05/20/204150520.db2.gz KOMMJAVMZWMESQ-INIZCTEOSA-N 2 2 280.375 2.730 20 30 CFEDLP C=CCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000091669192 375055401 /nfs/dbraw/zinc/05/54/01/375055401.db2.gz SQOVULLFGVILBB-UHFFFAOYSA-N 2 2 274.408 2.777 20 30 CFEDLP N#Cc1csc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093604523 375272549 /nfs/dbraw/zinc/27/25/49/375272549.db2.gz BWOVQJNIESKPDE-CYBMUJFWSA-N 2 2 275.421 2.537 20 30 CFEDLP N#Cc1csc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093604523 375272556 /nfs/dbraw/zinc/27/25/56/375272556.db2.gz BWOVQJNIESKPDE-CYBMUJFWSA-N 2 2 275.421 2.537 20 30 CFEDLP CCCCCCNC(=[NH2+])NCCCCNc1cccc[nH+]1 ZINC000104192051 375773864 /nfs/dbraw/zinc/77/38/64/375773864.db2.gz MOHPQAGSYOWRHO-UHFFFAOYSA-N 2 2 291.443 2.758 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000129108916 377386436 /nfs/dbraw/zinc/38/64/36/377386436.db2.gz MEAZMNHYDVKHRE-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000129108916 377386443 /nfs/dbraw/zinc/38/64/43/377386443.db2.gz MEAZMNHYDVKHRE-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000129108916 377386447 /nfs/dbraw/zinc/38/64/47/377386447.db2.gz MEAZMNHYDVKHRE-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000129108916 377386455 /nfs/dbraw/zinc/38/64/55/377386455.db2.gz MEAZMNHYDVKHRE-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP CCCCCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129425231 377425880 /nfs/dbraw/zinc/42/58/80/377425880.db2.gz ALRYCYMPZBMDCZ-INIZCTEOSA-N 2 2 268.445 2.611 20 30 CFEDLP CCCCCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129425231 377425887 /nfs/dbraw/zinc/42/58/87/377425887.db2.gz ALRYCYMPZBMDCZ-INIZCTEOSA-N 2 2 268.445 2.611 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)s1)C2 ZINC000134852210 378054554 /nfs/dbraw/zinc/05/45/54/378054554.db2.gz NWQZZBBPRLFAHI-VXGBXAGGSA-N 2 2 286.404 2.790 20 30 CFEDLP CC[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1[nH]cc[nH+]1 ZINC000328769874 378422884 /nfs/dbraw/zinc/42/28/84/378422884.db2.gz QUXXZYNGLHRJQG-CYBMUJFWSA-N 2 2 276.384 2.692 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccco1 ZINC000278867529 194190317 /nfs/dbraw/zinc/19/03/17/194190317.db2.gz GAFPXVJNDVCFDT-MRXNPFEDSA-N 2 2 292.423 2.723 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000174215639 379845356 /nfs/dbraw/zinc/84/53/56/379845356.db2.gz BXXVZIRVFYUTCC-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000174215639 379845361 /nfs/dbraw/zinc/84/53/61/379845361.db2.gz BXXVZIRVFYUTCC-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174273412 379855979 /nfs/dbraw/zinc/85/59/79/379855979.db2.gz UWGRFDRWUNHOCO-ZIAGYGMSSA-N 2 2 275.396 2.609 20 30 CFEDLP CC#CC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392720 379876200 /nfs/dbraw/zinc/87/62/00/379876200.db2.gz YQUYQGQRFUFDRZ-UHFFFAOYSA-N 2 2 271.408 2.643 20 30 CFEDLP CC#CC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392720 379876207 /nfs/dbraw/zinc/87/62/07/379876207.db2.gz YQUYQGQRFUFDRZ-UHFFFAOYSA-N 2 2 271.408 2.643 20 30 CFEDLP C[N@H+](Cc1cc(C#N)cs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335997116 380214530 /nfs/dbraw/zinc/21/45/30/380214530.db2.gz UOOJDOWDUSJUTB-PBWFPOADSA-N 2 2 275.421 2.677 20 30 CFEDLP C[N@@H+](Cc1cc(C#N)cs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335997116 380214534 /nfs/dbraw/zinc/21/45/34/380214534.db2.gz UOOJDOWDUSJUTB-PBWFPOADSA-N 2 2 275.421 2.677 20 30 CFEDLP C[NH+](Cc1cc(C#N)cs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335997116 380214537 /nfs/dbraw/zinc/21/45/37/380214537.db2.gz UOOJDOWDUSJUTB-PBWFPOADSA-N 2 2 275.421 2.677 20 30 CFEDLP C[NH+](Cc1cc(C#N)cs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335997116 380214540 /nfs/dbraw/zinc/21/45/40/380214540.db2.gz UOOJDOWDUSJUTB-PBWFPOADSA-N 2 2 275.421 2.677 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OCC#N)cc1 ZINC000368101222 380924572 /nfs/dbraw/zinc/92/45/72/380924572.db2.gz KAEKSQLTRNHHQS-TZMCWYRMSA-N 2 2 296.374 2.520 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OCC#N)cc1 ZINC000368101222 380924576 /nfs/dbraw/zinc/92/45/76/380924576.db2.gz KAEKSQLTRNHHQS-TZMCWYRMSA-N 2 2 296.374 2.520 20 30 CFEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000354100440 381079411 /nfs/dbraw/zinc/07/94/11/381079411.db2.gz MNWGZSKEVRKGQD-AWEZNQCLSA-N 2 2 289.448 2.783 20 30 CFEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000354100440 381079419 /nfs/dbraw/zinc/07/94/19/381079419.db2.gz MNWGZSKEVRKGQD-AWEZNQCLSA-N 2 2 289.448 2.783 20 30 CFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000354100440 381079425 /nfs/dbraw/zinc/07/94/25/381079425.db2.gz MNWGZSKEVRKGQD-AWEZNQCLSA-N 2 2 289.448 2.783 20 30 CFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000354100440 381079432 /nfs/dbraw/zinc/07/94/32/381079432.db2.gz MNWGZSKEVRKGQD-AWEZNQCLSA-N 2 2 289.448 2.783 20 30 CFEDLP C=CCSCC[NH2+]CCCc1c[nH+]ccc1C ZINC000289967780 381239965 /nfs/dbraw/zinc/23/99/65/381239965.db2.gz BOJWGAFZCOWGGD-UHFFFAOYSA-N 2 2 250.411 2.831 20 30 CFEDLP C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348189443 381470736 /nfs/dbraw/zinc/47/07/36/381470736.db2.gz SPDSMOACZNCMMY-ZDUSSCGKSA-N 2 2 298.390 2.912 20 30 CFEDLP C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348189443 381470741 /nfs/dbraw/zinc/47/07/41/381470741.db2.gz SPDSMOACZNCMMY-ZDUSSCGKSA-N 2 2 298.390 2.912 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000359866980 381649413 /nfs/dbraw/zinc/64/94/13/381649413.db2.gz GSCBJDUNWRENIU-UXLLHSPISA-N 2 2 256.393 2.823 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000359866980 381649418 /nfs/dbraw/zinc/64/94/18/381649418.db2.gz GSCBJDUNWRENIU-UXLLHSPISA-N 2 2 256.393 2.823 20 30 CFEDLP C#CC[C@H](C)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000359884746 381658399 /nfs/dbraw/zinc/65/83/99/381658399.db2.gz ZBNJUJPVCSXTHM-ZDUSSCGKSA-N 2 2 262.422 2.714 20 30 CFEDLP C#CC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000359885326 381658894 /nfs/dbraw/zinc/65/88/94/381658894.db2.gz ZNQKQBGJKLSVKB-CQSZACIVSA-N 2 2 274.383 2.792 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000371529652 381652333 /nfs/dbraw/zinc/65/23/33/381652333.db2.gz UCFMZSZITQIDPG-HFTRVMKXSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000371529652 381652337 /nfs/dbraw/zinc/65/23/37/381652337.db2.gz UCFMZSZITQIDPG-HFTRVMKXSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000371529652 381652346 /nfs/dbraw/zinc/65/23/46/381652346.db2.gz UCFMZSZITQIDPG-HFTRVMKXSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000371529652 381652351 /nfs/dbraw/zinc/65/23/51/381652351.db2.gz UCFMZSZITQIDPG-HFTRVMKXSA-N 2 2 299.418 2.503 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C[C@@H]1C ZINC000361837020 381865731 /nfs/dbraw/zinc/86/57/31/381865731.db2.gz JFIBJMCZWPYWHF-FUHWJXTLSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C[C@@H]1C ZINC000361837020 381865737 /nfs/dbraw/zinc/86/57/37/381865737.db2.gz JFIBJMCZWPYWHF-FUHWJXTLSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C[C@@H]1C ZINC000361837020 381865745 /nfs/dbraw/zinc/86/57/45/381865745.db2.gz JFIBJMCZWPYWHF-FUHWJXTLSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C[C@@H]1C ZINC000361837020 381865754 /nfs/dbraw/zinc/86/57/54/381865754.db2.gz JFIBJMCZWPYWHF-FUHWJXTLSA-N 2 2 270.420 2.843 20 30 CFEDLP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203361 381948345 /nfs/dbraw/zinc/94/83/45/381948345.db2.gz FVNNQTOJNSRZCR-DKIMLUQUSA-N 2 2 298.434 2.746 20 30 CFEDLP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203361 381948347 /nfs/dbraw/zinc/94/83/47/381948347.db2.gz FVNNQTOJNSRZCR-DKIMLUQUSA-N 2 2 298.434 2.746 20 30 CFEDLP C=C(C)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375511575 382088339 /nfs/dbraw/zinc/08/83/39/382088339.db2.gz GOSNGZUSYJVJTM-DOMZBBRYSA-N 2 2 279.453 2.828 20 30 CFEDLP C=C(C)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375511575 382088342 /nfs/dbraw/zinc/08/83/42/382088342.db2.gz GOSNGZUSYJVJTM-DOMZBBRYSA-N 2 2 279.453 2.828 20 30 CFEDLP C=C(C)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375511583 382089383 /nfs/dbraw/zinc/08/93/83/382089383.db2.gz GOSNGZUSYJVJTM-WFASDCNBSA-N 2 2 279.453 2.828 20 30 CFEDLP C=C(C)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375511583 382089390 /nfs/dbraw/zinc/08/93/90/382089390.db2.gz GOSNGZUSYJVJTM-WFASDCNBSA-N 2 2 279.453 2.828 20 30 CFEDLP N#CC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000352431929 382330409 /nfs/dbraw/zinc/33/04/09/382330409.db2.gz NOCNMIFEALVHOT-QZTJIDSGSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000352431929 382330417 /nfs/dbraw/zinc/33/04/17/382330417.db2.gz NOCNMIFEALVHOT-QZTJIDSGSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000352431929 382330420 /nfs/dbraw/zinc/33/04/20/382330420.db2.gz NOCNMIFEALVHOT-QZTJIDSGSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000352431929 382330425 /nfs/dbraw/zinc/33/04/25/382330425.db2.gz NOCNMIFEALVHOT-QZTJIDSGSA-N 2 2 295.430 2.744 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C#N)C[C@@H]1C ZINC000353747261 382623419 /nfs/dbraw/zinc/62/34/19/382623419.db2.gz FLFZYGKKVKLHCM-YOEHRIQHSA-N 2 2 271.408 2.863 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C#N)C[C@@H]1C ZINC000353747261 382623421 /nfs/dbraw/zinc/62/34/21/382623421.db2.gz FLFZYGKKVKLHCM-YOEHRIQHSA-N 2 2 271.408 2.863 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C[C@@H]1C ZINC000353747261 382623423 /nfs/dbraw/zinc/62/34/23/382623423.db2.gz FLFZYGKKVKLHCM-YOEHRIQHSA-N 2 2 271.408 2.863 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C[C@@H]1C ZINC000353747261 382623425 /nfs/dbraw/zinc/62/34/25/382623425.db2.gz FLFZYGKKVKLHCM-YOEHRIQHSA-N 2 2 271.408 2.863 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000192070680 382704736 /nfs/dbraw/zinc/70/47/36/382704736.db2.gz GTEXSKMROWOHFA-CQSZACIVSA-N 2 2 268.364 2.915 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000192070680 382704737 /nfs/dbraw/zinc/70/47/37/382704737.db2.gz GTEXSKMROWOHFA-CQSZACIVSA-N 2 2 268.364 2.915 20 30 CFEDLP CC[NH+](CC(C)C[N@@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000246360161 383073281 /nfs/dbraw/zinc/07/32/81/383073281.db2.gz KRKBHHDFSQHUQB-HUUCEWRRSA-N 2 2 278.444 2.586 20 30 CFEDLP CC[NH+](CC(C)C[N@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000246360161 383073286 /nfs/dbraw/zinc/07/32/86/383073286.db2.gz KRKBHHDFSQHUQB-HUUCEWRRSA-N 2 2 278.444 2.586 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247437999 383172335 /nfs/dbraw/zinc/17/23/35/383172335.db2.gz IQFUBLBHNMWNNX-RHSMWYFYSA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247437999 383172338 /nfs/dbraw/zinc/17/23/38/383172338.db2.gz IQFUBLBHNMWNNX-RHSMWYFYSA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247385540 383168675 /nfs/dbraw/zinc/16/86/75/383168675.db2.gz IEYOAFNTWCHQAJ-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247385540 383168680 /nfs/dbraw/zinc/16/86/80/383168680.db2.gz IEYOAFNTWCHQAJ-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248935078 383308800 /nfs/dbraw/zinc/30/88/00/383308800.db2.gz YFSLQXXPIGXFPS-UGUYLWEFSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248935078 383308808 /nfs/dbraw/zinc/30/88/08/383308808.db2.gz YFSLQXXPIGXFPS-UGUYLWEFSA-N 2 2 263.429 2.779 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449520841 383352917 /nfs/dbraw/zinc/35/29/17/383352917.db2.gz QQKNWGIAWKJISO-HPBDAGMYSA-N 2 2 286.419 2.583 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449520841 383352921 /nfs/dbraw/zinc/35/29/21/383352921.db2.gz QQKNWGIAWKJISO-HPBDAGMYSA-N 2 2 286.419 2.583 20 30 CFEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428377728 383461373 /nfs/dbraw/zinc/46/13/73/383461373.db2.gz VFXMHFZBHWECQF-UHFFFAOYSA-N 2 2 286.354 2.724 20 30 CFEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(F)c1C#N ZINC000428377728 383461377 /nfs/dbraw/zinc/46/13/77/383461377.db2.gz VFXMHFZBHWECQF-UHFFFAOYSA-N 2 2 286.354 2.724 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000428391060 383464304 /nfs/dbraw/zinc/46/43/04/383464304.db2.gz FHBLQAFXMDADNT-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000428391060 383464307 /nfs/dbraw/zinc/46/43/07/383464307.db2.gz FHBLQAFXMDADNT-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000428391060 383464313 /nfs/dbraw/zinc/46/43/13/383464313.db2.gz FHBLQAFXMDADNT-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2C#N)[C@@H](C)C1 ZINC000428391060 383464315 /nfs/dbraw/zinc/46/43/15/383464315.db2.gz FHBLQAFXMDADNT-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000480564756 383419660 /nfs/dbraw/zinc/41/96/60/383419660.db2.gz RNDLGBKMZKBMDQ-RTBURBONSA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000480564756 383419670 /nfs/dbraw/zinc/41/96/70/383419670.db2.gz RNDLGBKMZKBMDQ-RTBURBONSA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480564756 383419676 /nfs/dbraw/zinc/41/96/76/383419676.db2.gz RNDLGBKMZKBMDQ-RTBURBONSA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480564756 383419679 /nfs/dbraw/zinc/41/96/79/383419679.db2.gz RNDLGBKMZKBMDQ-RTBURBONSA-N 2 2 282.431 2.996 20 30 CFEDLP C=CC[N@@H+](CCC[NH2+]C)Cc1ccc(Cl)s1 ZINC000435886361 383781770 /nfs/dbraw/zinc/78/17/70/383781770.db2.gz WMQOSVMNXCFDFJ-UHFFFAOYSA-N 2 2 258.818 2.999 20 30 CFEDLP C=CC[N@H+](CCC[NH2+]C)Cc1ccc(Cl)s1 ZINC000435886361 383781774 /nfs/dbraw/zinc/78/17/74/383781774.db2.gz WMQOSVMNXCFDFJ-UHFFFAOYSA-N 2 2 258.818 2.999 20 30 CFEDLP CC[N@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000266927544 384262517 /nfs/dbraw/zinc/26/25/17/384262517.db2.gz NQZKMXYCZOQOFT-UHFFFAOYSA-N 2 2 254.337 2.608 20 30 CFEDLP CC[N@@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000266927544 384262521 /nfs/dbraw/zinc/26/25/21/384262521.db2.gz NQZKMXYCZOQOFT-UHFFFAOYSA-N 2 2 254.337 2.608 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCC)c(F)c2)CC1 ZINC000278330078 384529891 /nfs/dbraw/zinc/52/98/91/384529891.db2.gz FUDRZUQSNZRTIU-UHFFFAOYSA-N 2 2 292.398 2.964 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cscn2)CC1 ZINC000271070136 385327773 /nfs/dbraw/zinc/32/77/73/385327773.db2.gz DZVCGRMRRDZNQF-GFCCVEGCSA-N 2 2 265.426 2.834 20 30 CFEDLP C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000191613061 130263230 /nfs/dbraw/zinc/26/32/30/130263230.db2.gz ONOMEUVQDTWGBJ-KBXCAEBGSA-N 2 2 296.418 2.678 20 30 CFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000119991948 393928279 /nfs/dbraw/zinc/92/82/79/393928279.db2.gz MWHFTQLNHCGFPS-CQSZACIVSA-N 2 2 274.412 2.614 20 30 CFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000119991948 393928283 /nfs/dbraw/zinc/92/82/83/393928283.db2.gz MWHFTQLNHCGFPS-CQSZACIVSA-N 2 2 274.412 2.614 20 30 CFEDLP C[N@@H+]1CCC[C@H]1CC[NH+](CCC#N)CC(C)(C)C ZINC000120552947 393936047 /nfs/dbraw/zinc/93/60/47/393936047.db2.gz IXFLZCMDBVZKHV-AWEZNQCLSA-N 2 2 251.418 2.732 20 30 CFEDLP C[N@H+]1CCC[C@H]1CC[NH+](CCC#N)CC(C)(C)C ZINC000120552947 393936050 /nfs/dbraw/zinc/93/60/50/393936050.db2.gz IXFLZCMDBVZKHV-AWEZNQCLSA-N 2 2 251.418 2.732 20 30 CFEDLP C[NH+]1CCC[C@H]1CC[N@H+](CCC#N)CC(C)(C)C ZINC000120552947 393936053 /nfs/dbraw/zinc/93/60/53/393936053.db2.gz IXFLZCMDBVZKHV-AWEZNQCLSA-N 2 2 251.418 2.732 20 30 CFEDLP C[NH+]1CCC[C@H]1CC[N@@H+](CCC#N)CC(C)(C)C ZINC000120552947 393936056 /nfs/dbraw/zinc/93/60/56/393936056.db2.gz IXFLZCMDBVZKHV-AWEZNQCLSA-N 2 2 251.418 2.732 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CCNC(=[NH2+])NC1CCCCC1 ZINC000262356146 393954785 /nfs/dbraw/zinc/95/47/85/393954785.db2.gz UZVRDXSUXUCJKJ-UHFFFAOYSA-N 2 2 299.422 2.582 20 30 CFEDLP CC(C)C[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000268925730 393996142 /nfs/dbraw/zinc/99/61/42/393996142.db2.gz XYQXASLEXJJHRS-UHFFFAOYSA-N 2 2 289.398 2.907 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353238679 394026356 /nfs/dbraw/zinc/02/63/56/394026356.db2.gz FOLGKTWKYMBFOB-AWEZNQCLSA-N 2 2 283.375 2.622 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353238679 394026364 /nfs/dbraw/zinc/02/63/64/394026364.db2.gz FOLGKTWKYMBFOB-AWEZNQCLSA-N 2 2 283.375 2.622 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000360338635 394148955 /nfs/dbraw/zinc/14/89/55/394148955.db2.gz QTUFWHSVOIOEGP-NVXWUHKLSA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000360338635 394148958 /nfs/dbraw/zinc/14/89/58/394148958.db2.gz QTUFWHSVOIOEGP-NVXWUHKLSA-N 2 2 283.419 2.790 20 30 CFEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000448030001 394154521 /nfs/dbraw/zinc/15/45/21/394154521.db2.gz RKPBGYWHPGTJSZ-KFWWJZLASA-N 2 2 263.429 2.779 20 30 CFEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000448030001 394154525 /nfs/dbraw/zinc/15/45/25/394154525.db2.gz RKPBGYWHPGTJSZ-KFWWJZLASA-N 2 2 263.429 2.779 20 30 CFEDLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000368102722 394268074 /nfs/dbraw/zinc/26/80/74/394268074.db2.gz PHBNDQYGNARURL-LSDHHAIUSA-N 2 2 280.375 2.880 20 30 CFEDLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000368102722 394268078 /nfs/dbraw/zinc/26/80/78/394268078.db2.gz PHBNDQYGNARURL-LSDHHAIUSA-N 2 2 280.375 2.880 20 30 CFEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000153901041 394294269 /nfs/dbraw/zinc/29/42/69/394294269.db2.gz HGWLBGSVWQAKPL-HNNXBMFYSA-N 2 2 276.811 2.575 20 30 CFEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000153901041 394294271 /nfs/dbraw/zinc/29/42/71/394294271.db2.gz HGWLBGSVWQAKPL-HNNXBMFYSA-N 2 2 276.811 2.575 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000541904740 394690792 /nfs/dbraw/zinc/69/07/92/394690792.db2.gz CYAVQZZRSMBUBA-GXTWGEPZSA-N 2 2 275.371 2.690 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000541904740 394690794 /nfs/dbraw/zinc/69/07/94/394690794.db2.gz CYAVQZZRSMBUBA-GXTWGEPZSA-N 2 2 275.371 2.690 20 30 CFEDLP CC[NH+](CC)CC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356089349 155159660 /nfs/dbraw/zinc/15/96/60/155159660.db2.gz QCQHGWUCKUEKNJ-UHFFFAOYSA-N 2 2 292.452 2.569 20 30 CFEDLP COc1cc(C[NH2+]CCCc2ccc(C)[nH+]c2)ccc1C#N ZINC000356374113 155243620 /nfs/dbraw/zinc/24/36/20/155243620.db2.gz WSWZLKGCODFIFB-UHFFFAOYSA-N 2 2 295.386 2.993 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000373812084 157033212 /nfs/dbraw/zinc/03/32/12/157033212.db2.gz KEAYAOAUWYYWBQ-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000373812084 157033216 /nfs/dbraw/zinc/03/32/16/157033216.db2.gz KEAYAOAUWYYWBQ-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000373812084 157033219 /nfs/dbraw/zinc/03/32/19/157033219.db2.gz KEAYAOAUWYYWBQ-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000373812084 157033221 /nfs/dbraw/zinc/03/32/21/157033221.db2.gz KEAYAOAUWYYWBQ-SOLBZPMBSA-N 2 2 299.393 2.613 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000657530031 413714483 /nfs/dbraw/zinc/71/44/83/413714483.db2.gz LNXRKQOQOZGHFY-HIFRSBDPSA-N 2 2 276.428 2.711 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657658382 413826879 /nfs/dbraw/zinc/82/68/79/413826879.db2.gz VISJECMDHBTFCY-AEFFLSMTSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657658382 413826888 /nfs/dbraw/zinc/82/68/88/413826888.db2.gz VISJECMDHBTFCY-AEFFLSMTSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655739198 414403835 /nfs/dbraw/zinc/40/38/35/414403835.db2.gz ZNOGYKAJFCLIRL-GOEBONIOSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044685298 175231670 /nfs/dbraw/zinc/23/16/70/175231670.db2.gz BLQMCNXCXFINIU-OAHLLOKOSA-N 2 2 272.392 2.578 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044685298 175231671 /nfs/dbraw/zinc/23/16/71/175231671.db2.gz BLQMCNXCXFINIU-OAHLLOKOSA-N 2 2 272.392 2.578 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000192937500 262212555 /nfs/dbraw/zinc/21/25/55/262212555.db2.gz HYQJYRVHJWRBAC-KGLIPLIRSA-N 2 2 258.369 2.556 20 30 CFEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000364845353 262262581 /nfs/dbraw/zinc/26/25/81/262262581.db2.gz WDOZZDNSQNRFEZ-SWLSCSKDSA-N 2 2 279.815 2.634 20 30 CFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC(C)(C)C)c1ccsc1 ZINC000264065630 262862795 /nfs/dbraw/zinc/86/27/95/262862795.db2.gz BBIOZTOKYDHJNS-CYBMUJFWSA-N 2 2 296.484 2.834 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1Cl ZINC000414874145 263088004 /nfs/dbraw/zinc/08/80/04/263088004.db2.gz YOJFTSCATTUDPZ-CYBMUJFWSA-N 2 2 280.799 2.746 20 30 CFEDLP N#CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000294939943 263169704 /nfs/dbraw/zinc/16/97/04/263169704.db2.gz CFOKVPIDMVLNAS-HOCLYGCPSA-N 2 2 284.407 2.722 20 30 CFEDLP C#CCOc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127744308 264262743 /nfs/dbraw/zinc/26/27/43/264262743.db2.gz PCJNKBZRBJYEBM-UHFFFAOYSA-N 2 2 298.430 2.759 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000442790474 264982548 /nfs/dbraw/zinc/98/25/48/264982548.db2.gz GSQPIEIDRAZQHZ-KGLIPLIRSA-N 2 2 258.369 2.556 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000368135112 267147783 /nfs/dbraw/zinc/14/77/83/267147783.db2.gz OOQCQVBWJFEKQH-ZDUSSCGKSA-N 2 2 260.385 2.539 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000368135112 267147785 /nfs/dbraw/zinc/14/77/85/267147785.db2.gz OOQCQVBWJFEKQH-ZDUSSCGKSA-N 2 2 260.385 2.539 20 30 CFEDLP C=CC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368530943 267180761 /nfs/dbraw/zinc/18/07/61/267180761.db2.gz RKPXKNVWKUJEKT-INIZCTEOSA-N 2 2 273.424 2.990 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(C#N)cc1 ZINC000530217664 267223617 /nfs/dbraw/zinc/22/36/17/267223617.db2.gz UXVNUXDGCGRRBT-JKSUJKDBSA-N 2 2 269.392 2.884 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000375466569 267862738 /nfs/dbraw/zinc/86/27/38/267862738.db2.gz FCNOGXLWHJFVLY-KBAYOESNSA-N 2 2 292.467 2.822 20 30 CFEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000154533142 276072731 /nfs/dbraw/zinc/07/27/31/276072731.db2.gz VWOOFUBHTPOMTB-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000154533142 276072732 /nfs/dbraw/zinc/07/27/32/276072732.db2.gz VWOOFUBHTPOMTB-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154533142 276072733 /nfs/dbraw/zinc/07/27/33/276072733.db2.gz VWOOFUBHTPOMTB-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154533142 276072735 /nfs/dbraw/zinc/07/27/35/276072735.db2.gz VWOOFUBHTPOMTB-INIZCTEOSA-N 2 2 290.838 2.965 20 30 CFEDLP C[N@@H+]1CCCC12CC[NH+](CC#Cc1ccc(F)cc1)CC2 ZINC000335990623 277042013 /nfs/dbraw/zinc/04/20/13/277042013.db2.gz RQETVPPBHCYNKU-UHFFFAOYSA-N 2 2 286.394 2.737 20 30 CFEDLP C[N@H+]1CCCC12CC[NH+](CC#Cc1ccc(F)cc1)CC2 ZINC000335990623 277042015 /nfs/dbraw/zinc/04/20/15/277042015.db2.gz RQETVPPBHCYNKU-UHFFFAOYSA-N 2 2 286.394 2.737 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000036996827 278283067 /nfs/dbraw/zinc/28/30/67/278283067.db2.gz VXGBWLLABRCDHX-RRQGHBQHSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000036996827 278283068 /nfs/dbraw/zinc/28/30/68/278283068.db2.gz VXGBWLLABRCDHX-RRQGHBQHSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000344161621 290027551 /nfs/dbraw/zinc/02/75/51/290027551.db2.gz GULDYMMSIFRIQL-GDZNZVCISA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000344161621 290027552 /nfs/dbraw/zinc/02/75/52/290027552.db2.gz GULDYMMSIFRIQL-GDZNZVCISA-N 2 2 269.392 2.692 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254703 327944576 /nfs/dbraw/zinc/94/45/76/327944576.db2.gz KDBXUDSSXNZGQS-HNNXBMFYSA-N 2 2 285.391 2.874 20 30 CFEDLP C[C@@H](CCC#N)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000298348866 328295950 /nfs/dbraw/zinc/29/59/50/328295950.db2.gz BUKLXWCAACVJEC-AWEZNQCLSA-N 2 2 263.385 2.726 20 30 CFEDLP C[C@@H](CCC#N)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000298348866 328295951 /nfs/dbraw/zinc/29/59/51/328295951.db2.gz BUKLXWCAACVJEC-AWEZNQCLSA-N 2 2 263.385 2.726 20 30 CFEDLP C[C@@H](CCC#N)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000298348866 328295952 /nfs/dbraw/zinc/29/59/52/328295952.db2.gz BUKLXWCAACVJEC-AWEZNQCLSA-N 2 2 263.385 2.726 20 30 CFEDLP C[C@@H](CCC#N)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000298348866 328295954 /nfs/dbraw/zinc/29/59/54/328295954.db2.gz BUKLXWCAACVJEC-AWEZNQCLSA-N 2 2 263.385 2.726 20 30 CFEDLP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)ccc1C#N ZINC000569541554 322479249 /nfs/dbraw/zinc/47/92/49/322479249.db2.gz AHVMPSNXLULUCN-UHFFFAOYSA-N 2 2 268.364 2.633 20 30 CFEDLP C=CCCOCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000090883692 327101498 /nfs/dbraw/zinc/10/14/98/327101498.db2.gz BBQVODVWAXMZII-SFHVURJKSA-N 2 2 288.435 2.833 20 30 CFEDLP C=CCCOCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000090883692 327101499 /nfs/dbraw/zinc/10/14/99/327101499.db2.gz BBQVODVWAXMZII-SFHVURJKSA-N 2 2 288.435 2.833 20 30 CFEDLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(C#N)CC3)CC2)C1 ZINC000562391669 327478162 /nfs/dbraw/zinc/47/81/62/327478162.db2.gz PZWCEZHAEHYGPO-HOCLYGCPSA-N 2 2 275.440 2.923 20 30 CFEDLP C=CCC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000377368100 329013030 /nfs/dbraw/zinc/01/30/30/329013030.db2.gz HCOFYDYYMTUPMW-DOTOQJQBSA-N 2 2 290.455 2.701 20 30 CFEDLP C=CCC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000377368100 329013031 /nfs/dbraw/zinc/01/30/31/329013031.db2.gz HCOFYDYYMTUPMW-DOTOQJQBSA-N 2 2 290.455 2.701 20 30 CFEDLP C=CCC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000377368100 329013033 /nfs/dbraw/zinc/01/30/33/329013033.db2.gz HCOFYDYYMTUPMW-DOTOQJQBSA-N 2 2 290.455 2.701 20 30 CFEDLP C=CCC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000377368100 329013035 /nfs/dbraw/zinc/01/30/35/329013035.db2.gz HCOFYDYYMTUPMW-DOTOQJQBSA-N 2 2 290.455 2.701 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422828024 330156499 /nfs/dbraw/zinc/15/64/99/330156499.db2.gz FOVZMIPLNOIRHD-RCCFBDPRSA-N 3 2 293.499 2.935 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423106666 330170400 /nfs/dbraw/zinc/17/04/00/330170400.db2.gz OPRGYMMSRZOUAF-WMLDXEAASA-N 2 2 274.408 2.872 20 30 CFEDLP CC(C)CC[N@H+](CCC#N)CC[C@@H]1CCC[NH+]1C ZINC000089614791 330386605 /nfs/dbraw/zinc/38/66/05/330386605.db2.gz OWWAVAKPAJXOMU-HNNXBMFYSA-N 2 2 251.418 2.732 20 30 CFEDLP CC(C)CC[N@@H+](CCC#N)CC[C@@H]1CCC[NH+]1C ZINC000089614791 330386606 /nfs/dbraw/zinc/38/66/06/330386606.db2.gz OWWAVAKPAJXOMU-HNNXBMFYSA-N 2 2 251.418 2.732 20 30 CFEDLP CC(C)CC[NH+](CCC#N)CC[C@@H]1CCC[N@@H+]1C ZINC000089614791 330386607 /nfs/dbraw/zinc/38/66/07/330386607.db2.gz OWWAVAKPAJXOMU-HNNXBMFYSA-N 2 2 251.418 2.732 20 30 CFEDLP CC(C)CC[NH+](CCC#N)CC[C@@H]1CCC[N@H+]1C ZINC000089614791 330386608 /nfs/dbraw/zinc/38/66/08/330386608.db2.gz OWWAVAKPAJXOMU-HNNXBMFYSA-N 2 2 251.418 2.732 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000442711533 330780272 /nfs/dbraw/zinc/78/02/72/330780272.db2.gz SAIFBSJIUOBOJS-IRXDYDNUSA-N 2 2 280.375 2.713 20 30 CFEDLP C=CCCCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000487853513 331982355 /nfs/dbraw/zinc/98/23/55/331982355.db2.gz BSRQENDCXFHYOK-UHFFFAOYSA-N 2 2 289.423 2.959 20 30 CFEDLP C#C[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000491523088 332228850 /nfs/dbraw/zinc/22/88/50/332228850.db2.gz BKKOKBFJYOIMQQ-AWEZNQCLSA-N 2 2 253.349 2.634 20 30 CFEDLP C#C[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000491523088 332228852 /nfs/dbraw/zinc/22/88/52/332228852.db2.gz BKKOKBFJYOIMQQ-AWEZNQCLSA-N 2 2 253.349 2.634 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C#N)[C@@H](C)C1 ZINC000245434968 521713287 /nfs/dbraw/zinc/71/32/87/521713287.db2.gz QCIJVQBAFBPZLC-WMLDXEAASA-N 2 2 271.408 2.720 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C#N)[C@@H](C)C1 ZINC000245434968 521713290 /nfs/dbraw/zinc/71/32/90/521713290.db2.gz QCIJVQBAFBPZLC-WMLDXEAASA-N 2 2 271.408 2.720 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)[C@@H](C)C1 ZINC000245434968 521713291 /nfs/dbraw/zinc/71/32/91/521713291.db2.gz QCIJVQBAFBPZLC-WMLDXEAASA-N 2 2 271.408 2.720 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)[C@@H](C)C1 ZINC000245434968 521713293 /nfs/dbraw/zinc/71/32/93/521713293.db2.gz QCIJVQBAFBPZLC-WMLDXEAASA-N 2 2 271.408 2.720 20 30 CFEDLP N#Cc1cccc(C2([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000414091898 534803966 /nfs/dbraw/zinc/80/39/66/534803966.db2.gz FIVIMOFHOZULGN-UHFFFAOYSA-N 2 2 281.403 2.764 20 30 CFEDLP Cc1ccc(N2CCC([NH2+]Cc3ccc(C#N)o3)CC2)[nH+]c1 ZINC000174430642 524942093 /nfs/dbraw/zinc/94/20/93/524942093.db2.gz PNYQVJDHOPRVOQ-UHFFFAOYSA-N 2 2 296.374 2.613 20 30 CFEDLP CC1(C#N)CCC([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000333499650 528831925 /nfs/dbraw/zinc/83/19/25/528831925.db2.gz CKKDCHDVNZDJFA-UHFFFAOYSA-N 2 2 286.423 2.824 20 30 CFEDLP CC(C)C[N@H+](CCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000459328543 535054919 /nfs/dbraw/zinc/05/49/19/535054919.db2.gz QOBUHMFOLIWLHH-UHFFFAOYSA-N 2 2 296.418 2.992 20 30 CFEDLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000459328543 535054921 /nfs/dbraw/zinc/05/49/21/535054921.db2.gz QOBUHMFOLIWLHH-UHFFFAOYSA-N 2 2 296.418 2.992 20 30 CFEDLP N#CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000731213545 574113369 /nfs/dbraw/zinc/11/33/69/574113369.db2.gz YXZYUFOXPCCQGO-INIZCTEOSA-N 2 2 296.374 2.623 20 30 CFEDLP N#CCOc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000731213545 574113371 /nfs/dbraw/zinc/11/33/71/574113371.db2.gz YXZYUFOXPCCQGO-INIZCTEOSA-N 2 2 296.374 2.623 20 30 CFEDLP CCCCCCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000746452689 574149565 /nfs/dbraw/zinc/14/95/65/574149565.db2.gz ZCLJXXIXIMLZNB-UHFFFAOYSA-N 2 2 278.444 2.903 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C#N)c2)C[C@@H]1C ZINC000892101678 617949923 /nfs/dbraw/zinc/94/99/23/617949923.db2.gz BDGOHAZXICYTIS-JSGCOSHPSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C#N)c2)C[C@@H]1C ZINC000892101678 617949925 /nfs/dbraw/zinc/94/99/25/617949925.db2.gz BDGOHAZXICYTIS-JSGCOSHPSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C#N)c2)C[C@@H]1C ZINC000892101678 617949927 /nfs/dbraw/zinc/94/99/27/617949927.db2.gz BDGOHAZXICYTIS-JSGCOSHPSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C#N)c2)C[C@@H]1C ZINC000892101678 617949928 /nfs/dbraw/zinc/94/99/28/617949928.db2.gz BDGOHAZXICYTIS-JSGCOSHPSA-N 2 2 277.437 2.924 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2csc(C#N)c2)CC[N@@H+]1C ZINC000892105587 617954181 /nfs/dbraw/zinc/95/41/81/617954181.db2.gz NVOWARNVMKUCAV-WCQYABFASA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2csc(C#N)c2)CC[N@H+]1C ZINC000892105587 617954182 /nfs/dbraw/zinc/95/41/82/617954182.db2.gz NVOWARNVMKUCAV-WCQYABFASA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2csc(C#N)c2)CC[NH+]1C ZINC000892105587 617954186 /nfs/dbraw/zinc/95/41/86/617954186.db2.gz NVOWARNVMKUCAV-WCQYABFASA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)CC[NH+]1C ZINC000892105587 617954187 /nfs/dbraw/zinc/95/41/87/617954187.db2.gz NVOWARNVMKUCAV-WCQYABFASA-N 2 2 263.410 2.534 20 30 CFEDLP CC1CC[NH+](CCC[NH2+]CC#Cc2ccccc2)CC1 ZINC000892460551 618298061 /nfs/dbraw/zinc/29/80/61/618298061.db2.gz SCTSWHCXVKGRDY-UHFFFAOYSA-N 2 2 270.420 2.750 20 30 CFEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000895378494 618557777 /nfs/dbraw/zinc/55/77/77/618557777.db2.gz QNOQEMNMGFUFAZ-XJKSGUPXSA-N 2 2 275.396 2.703 20 30 CFEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000895378494 618557781 /nfs/dbraw/zinc/55/77/81/618557781.db2.gz QNOQEMNMGFUFAZ-XJKSGUPXSA-N 2 2 275.396 2.703 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314036 618940637 /nfs/dbraw/zinc/94/06/37/618940637.db2.gz ITDZQWFZKONITO-JCGIZDLHSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314036 618940640 /nfs/dbraw/zinc/94/06/40/618940640.db2.gz ITDZQWFZKONITO-JCGIZDLHSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931314036 618940641 /nfs/dbraw/zinc/94/06/41/618940641.db2.gz ITDZQWFZKONITO-JCGIZDLHSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931314036 618940642 /nfs/dbraw/zinc/94/06/42/618940642.db2.gz ITDZQWFZKONITO-JCGIZDLHSA-N 2 2 283.419 2.893 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000931620101 619062062 /nfs/dbraw/zinc/06/20/62/619062062.db2.gz DCZFDYIFIIFILO-QZTJIDSGSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000931620101 619062065 /nfs/dbraw/zinc/06/20/65/619062065.db2.gz DCZFDYIFIIFILO-QZTJIDSGSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000931620101 619062068 /nfs/dbraw/zinc/06/20/68/619062068.db2.gz DCZFDYIFIIFILO-QZTJIDSGSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000931620101 619062069 /nfs/dbraw/zinc/06/20/69/619062069.db2.gz DCZFDYIFIIFILO-QZTJIDSGSA-N 2 2 283.419 2.844 20 30 CFEDLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000925786228 619111335 /nfs/dbraw/zinc/11/13/35/619111335.db2.gz SLHGNSCFMHEPCB-CSMYWGQOSA-N 2 2 269.392 2.523 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)C[C@@](C)(O)CC)CC1 ZINC000924984073 619317097 /nfs/dbraw/zinc/31/70/97/619317097.db2.gz MPHCWWAWNZOBFM-HOCLYGCPSA-N 2 2 268.445 2.556 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2(Br)CC2)CC1 ZINC000924984281 619317381 /nfs/dbraw/zinc/31/73/81/619317381.db2.gz RBOBDGORPDXOBO-NSHDSACASA-N 2 2 287.245 2.542 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895670375 619582264 /nfs/dbraw/zinc/58/22/64/619582264.db2.gz FDMSTDNTCBLUIB-UHFFFAOYSA-N 2 2 298.430 2.759 20 30 CFEDLP C#Cc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895671580 619582712 /nfs/dbraw/zinc/58/27/12/619582712.db2.gz RBPHMVQXJXQBMJ-UHFFFAOYSA-N 2 2 268.404 2.728 20 30 CFEDLP CC(C)C[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)[NH+](C)C ZINC000924629999 620422841 /nfs/dbraw/zinc/42/28/41/620422841.db2.gz VFFSLSNRLSMIBH-KGLIPLIRSA-N 2 2 253.434 2.881 20 30 CFEDLP CCO[C@@H](C[NH2+][C@H](CC)c1cccc(C#N)c1)C[NH+](C)C ZINC000926964397 620433817 /nfs/dbraw/zinc/43/38/17/620433817.db2.gz ROAIZOXBJAUFIO-DLBZAZTESA-N 2 2 289.423 2.566 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C/C=C\Cl)CC2)cc1 ZINC000898434079 620463614 /nfs/dbraw/zinc/46/36/14/620463614.db2.gz SMOXUEYTCVPRFO-QPIMQUGISA-N 2 2 289.810 2.865 20 30 CFEDLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc(C#N)c1 ZINC000902439961 621080659 /nfs/dbraw/zinc/08/06/59/621080659.db2.gz VVMPWVNZACHQCX-JBBXEZCESA-N 2 2 277.371 2.834 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)CC2 ZINC000902484320 621110704 /nfs/dbraw/zinc/11/07/04/621110704.db2.gz VMKRGXFKCMCJOJ-WBVHZDCISA-N 2 2 269.392 2.667 20 30 CFEDLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000902720475 621156850 /nfs/dbraw/zinc/15/68/50/621156850.db2.gz KNCVLLXYVIBEIL-MRXNPFEDSA-N 2 2 268.364 2.886 20 30 CFEDLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902736811 621161800 /nfs/dbraw/zinc/16/18/00/621161800.db2.gz KSFGKQIYEAMEKT-CQSZACIVSA-N 2 2 286.423 2.724 20 30 CFEDLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000902742781 621163352 /nfs/dbraw/zinc/16/33/52/621163352.db2.gz YBXVNJKVPMVIRV-CJNGLKHVSA-N 2 2 268.364 2.884 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@]1(C)CCCCO1 ZINC000902793929 621178216 /nfs/dbraw/zinc/17/82/16/621178216.db2.gz OWLSZLZMQRBLTM-PMPSAXMXSA-N 2 2 268.445 2.820 20 30 CFEDLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000902830248 621183558 /nfs/dbraw/zinc/18/35/58/621183558.db2.gz MIHAICKLPXBUDW-YOEHRIQHSA-N 2 2 271.408 2.941 20 30 CFEDLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000902830248 621183560 /nfs/dbraw/zinc/18/35/60/621183560.db2.gz MIHAICKLPXBUDW-YOEHRIQHSA-N 2 2 271.408 2.941 20 30 CFEDLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000902830247 621183668 /nfs/dbraw/zinc/18/36/68/621183668.db2.gz MIHAICKLPXBUDW-WMLDXEAASA-N 2 2 271.408 2.941 20 30 CFEDLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000902830247 621183671 /nfs/dbraw/zinc/18/36/71/621183671.db2.gz MIHAICKLPXBUDW-WMLDXEAASA-N 2 2 271.408 2.941 20 30 CFEDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(C#N)ccn1 ZINC000902836644 621187676 /nfs/dbraw/zinc/18/76/76/621187676.db2.gz ZWKOYRNWGTWIEF-CYBMUJFWSA-N 2 2 281.363 2.501 20 30 CFEDLP C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903092693 621257838 /nfs/dbraw/zinc/25/78/38/621257838.db2.gz DMRJRJPYPFZBGP-HOCLYGCPSA-N 2 2 285.391 2.850 20 30 CFEDLP N#CC1CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903541031 621395973 /nfs/dbraw/zinc/39/59/73/621395973.db2.gz HZWVSUSKBPKOKB-TUUUFIMRSA-N 2 2 289.345 2.528 20 30 CFEDLP N#CC1CCC(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903541031 621395975 /nfs/dbraw/zinc/39/59/75/621395975.db2.gz HZWVSUSKBPKOKB-TUUUFIMRSA-N 2 2 289.345 2.528 20 30 CFEDLP Cc1ccc(NC(=[NH2+])NCCCNc2cccc[nH+]2)cc1C ZINC000170905250 623189956 /nfs/dbraw/zinc/18/99/56/623189956.db2.gz KMQMUNGYOPMFGC-UHFFFAOYSA-N 2 2 297.406 2.927 20 30 CFEDLP N#CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925369929 626433319 /nfs/dbraw/zinc/43/33/19/626433319.db2.gz WZBLWXQUAFTIGU-MSOLQXFVSA-N 2 2 299.418 2.695 20 30 CFEDLP N#CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925369929 626433320 /nfs/dbraw/zinc/43/33/20/626433320.db2.gz WZBLWXQUAFTIGU-MSOLQXFVSA-N 2 2 299.418 2.695 20 30 CFEDLP N#CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925369931 626433431 /nfs/dbraw/zinc/43/34/31/626433431.db2.gz WZBLWXQUAFTIGU-ROUUACIJSA-N 2 2 299.418 2.695 20 30 CFEDLP N#CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925369931 626433432 /nfs/dbraw/zinc/43/34/32/626433432.db2.gz WZBLWXQUAFTIGU-ROUUACIJSA-N 2 2 299.418 2.695 20 30 CFEDLP CC(C)CCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000762207444 626903648 /nfs/dbraw/zinc/90/36/48/626903648.db2.gz CLQPTRAUJBJVGA-UHFFFAOYSA-N 2 2 277.412 2.821 20 30 CFEDLP C=C[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766569329 627209605 /nfs/dbraw/zinc/20/96/05/627209605.db2.gz AHUKYSHLANEHGU-AWEZNQCLSA-N 2 2 273.424 2.886 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768517859 627348294 /nfs/dbraw/zinc/34/82/94/627348294.db2.gz PEKZOYAXWIPEJJ-SJLPKXTDSA-N 2 2 270.420 2.900 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768517859 627348298 /nfs/dbraw/zinc/34/82/98/627348298.db2.gz PEKZOYAXWIPEJJ-SJLPKXTDSA-N 2 2 270.420 2.900 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000773029350 627771670 /nfs/dbraw/zinc/77/16/70/627771670.db2.gz YJLRKKKIGBZLRK-BLLLJJGKSA-N 2 2 275.371 2.517 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000773029350 627771673 /nfs/dbraw/zinc/77/16/73/627771673.db2.gz YJLRKKKIGBZLRK-BLLLJJGKSA-N 2 2 275.371 2.517 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000774133694 627891797 /nfs/dbraw/zinc/89/17/97/627891797.db2.gz GZGLROAOSMSKMT-ILXRZTDVSA-N 2 2 274.412 2.970 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000774133711 627891879 /nfs/dbraw/zinc/89/18/79/627891879.db2.gz GZGLROAOSMSKMT-ZNMIVQPWSA-N 2 2 274.412 2.970 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779062947 628349157 /nfs/dbraw/zinc/34/91/57/628349157.db2.gz WUTQLYZNMYONNN-HOCLYGCPSA-N 2 2 295.386 2.561 20 30 CFEDLP C=C(C)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000783331925 628700023 /nfs/dbraw/zinc/70/00/23/628700023.db2.gz ZNLOSDWQLWEPRT-UHFFFAOYSA-N 2 2 273.424 2.887 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000815652445 632307156 /nfs/dbraw/zinc/30/71/56/632307156.db2.gz CQHYQKARJORBCU-CYBMUJFWSA-N 2 2 294.826 2.954 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000815652445 632307159 /nfs/dbraw/zinc/30/71/59/632307159.db2.gz CQHYQKARJORBCU-CYBMUJFWSA-N 2 2 294.826 2.954 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(F)cc(OCC)c2)CC1 ZINC000865454115 638346057 /nfs/dbraw/zinc/34/60/57/638346057.db2.gz PYFVCCJFPLOAOD-UHFFFAOYSA-N 2 2 292.398 2.964 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866260651 638782759 /nfs/dbraw/zinc/78/27/59/638782759.db2.gz ICDBHCIVUOQUBE-DLBZAZTESA-N 2 2 278.440 2.574 20 30 CFEDLP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1O ZINC000866349292 638801646 /nfs/dbraw/zinc/80/16/46/638801646.db2.gz HZSVVKFQQLMHCE-ZDUSSCGKSA-N 2 2 299.418 2.789 20 30 CFEDLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C#N)c1O ZINC000866352435 638802575 /nfs/dbraw/zinc/80/25/75/638802575.db2.gz WQJHLYICEGPFKP-JEYLPNPQSA-N 2 2 299.418 2.931 20 30 CFEDLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877074090 643136612 /nfs/dbraw/zinc/13/66/12/643136612.db2.gz ZDIRDCULRYQMAD-KBPBESRZSA-N 2 2 292.814 2.569 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000092043464 650914616 /nfs/dbraw/zinc/91/46/16/650914616.db2.gz GHNRXRZOHDLVAD-WMZOPIPTSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000092043464 650914619 /nfs/dbraw/zinc/91/46/19/650914619.db2.gz GHNRXRZOHDLVAD-WMZOPIPTSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000092043464 650914621 /nfs/dbraw/zinc/91/46/21/650914621.db2.gz GHNRXRZOHDLVAD-WMZOPIPTSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000092043464 650914622 /nfs/dbraw/zinc/91/46/22/650914622.db2.gz GHNRXRZOHDLVAD-WMZOPIPTSA-N 2 2 298.430 2.615 20 30 CFEDLP CCCCCCNC(=[NH2+])NCC[N@H+](C)Cc1ccccc1 ZINC000303899985 651007885 /nfs/dbraw/zinc/00/78/85/651007885.db2.gz WKBRTWRPDGTVKD-UHFFFAOYSA-N 2 2 290.455 2.603 20 30 CFEDLP CCCCCCNC(=[NH2+])NCC[N@@H+](C)Cc1ccccc1 ZINC000303899985 651007889 /nfs/dbraw/zinc/00/78/89/651007889.db2.gz WKBRTWRPDGTVKD-UHFFFAOYSA-N 2 2 290.455 2.603 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1Cc2ccccc2O1 ZINC000883166313 645634549 /nfs/dbraw/zinc/63/45/49/645634549.db2.gz XDEGBFLGHHJNRJ-AEFFLSMTSA-N 2 2 297.402 2.811 20 30 CFEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CC=C)CC1)[C@H]1CCCO1 ZINC000883187706 645649020 /nfs/dbraw/zinc/64/90/20/645649020.db2.gz UKFSECBNIKAYRZ-IAGOWNOFSA-N 2 2 278.440 2.740 20 30 CFEDLP C=CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000925498205 647858531 /nfs/dbraw/zinc/85/85/31/647858531.db2.gz NSJKVXCMRYDGEC-HUUCEWRRSA-N 2 2 257.381 2.573 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000925619625 648242474 /nfs/dbraw/zinc/24/24/74/648242474.db2.gz PTDQGAOHLTUGQP-YSVLISHTSA-N 2 2 287.407 2.598 20 30 CFEDLP C=CCCSCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925710339 648290601 /nfs/dbraw/zinc/29/06/01/648290601.db2.gz WRBKSCUGQANMLV-HIFRSBDPSA-N 2 2 264.438 2.974 20 30 CFEDLP N#Cc1ccc(C2([NH2+][C@@H]3CC[NH2+]C34CCC4)CCC2)cc1 ZINC000925714605 648293710 /nfs/dbraw/zinc/29/37/10/648293710.db2.gz SKDSHPUNBSKAEM-MRXNPFEDSA-N 2 2 281.403 2.812 20 30 CFEDLP N#CC1CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926357444 648470572 /nfs/dbraw/zinc/47/05/72/648470572.db2.gz WVJXQWMULGJTQO-BACDZXNISA-N 2 2 275.440 2.923 20 30 CFEDLP N#CC1CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926357444 648470576 /nfs/dbraw/zinc/47/05/76/648470576.db2.gz WVJXQWMULGJTQO-BACDZXNISA-N 2 2 275.440 2.923 20 30 CFEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926512603 648515973 /nfs/dbraw/zinc/51/59/73/648515973.db2.gz HXOYPTUPFZSEQN-VGWMRTNUSA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926512603 648515978 /nfs/dbraw/zinc/51/59/78/648515978.db2.gz HXOYPTUPFZSEQN-VGWMRTNUSA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC000925728984 776340572 /nfs/dbraw/zinc/34/05/72/776340572.db2.gz MZFFSGOHSNAZSU-AGRHKRQWSA-N 2 2 291.398 2.704 20 30 CFEDLP C=CCCCCCCC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115396 778387865 /nfs/dbraw/zinc/38/78/65/778387865.db2.gz RCQQWAWESIYXEN-QGZVFWFLSA-N 2 2 280.456 2.967 20 30 CFEDLP C=CCCCCCCC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115396 778387873 /nfs/dbraw/zinc/38/78/73/778387873.db2.gz RCQQWAWESIYXEN-QGZVFWFLSA-N 2 2 280.456 2.967 20 30 CFEDLP C=CCCCCCCC[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001235130331 778394059 /nfs/dbraw/zinc/39/40/59/778394059.db2.gz WTELDOHRPZNCIJ-UHFFFAOYSA-N 2 2 280.456 2.967 20 30 CFEDLP C=CCCCCCCC[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001235130331 778394066 /nfs/dbraw/zinc/39/40/66/778394066.db2.gz WTELDOHRPZNCIJ-UHFFFAOYSA-N 2 2 280.456 2.967 20 30 CFEDLP CC(C)C[C@](C)(C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168312253 778422267 /nfs/dbraw/zinc/42/22/67/778422267.db2.gz MZVXUTDGKKOAMV-YMAMQOFZSA-N 2 2 251.418 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235892293 778592773 /nfs/dbraw/zinc/59/27/73/778592773.db2.gz OLIAYORTSDPJPO-HIFRSBDPSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235892293 778592774 /nfs/dbraw/zinc/59/27/74/778592774.db2.gz OLIAYORTSDPJPO-HIFRSBDPSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218036 778742605 /nfs/dbraw/zinc/74/26/05/778742605.db2.gz RCAKIYYBCBVUKG-HZPDHXFCSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218036 778742610 /nfs/dbraw/zinc/74/26/10/778742610.db2.gz RCAKIYYBCBVUKG-HZPDHXFCSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCCCCCC[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236327807 778782084 /nfs/dbraw/zinc/78/20/84/778782084.db2.gz MFXMERGOXLCGEJ-INIZCTEOSA-N 2 2 268.445 2.823 20 30 CFEDLP C=CCCCCCC[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236327807 778782087 /nfs/dbraw/zinc/78/20/87/778782087.db2.gz MFXMERGOXLCGEJ-INIZCTEOSA-N 2 2 268.445 2.823 20 30 CFEDLP CCCCCCC[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236331613 778783419 /nfs/dbraw/zinc/78/34/19/778783419.db2.gz XNFJVLLVLZLFSQ-HNNXBMFYSA-N 2 2 256.434 2.657 20 30 CFEDLP CCCCCCC[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236331613 778783422 /nfs/dbraw/zinc/78/34/22/778783422.db2.gz XNFJVLLVLZLFSQ-HNNXBMFYSA-N 2 2 256.434 2.657 20 30 CFEDLP C#Cc1cccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237154872 779028680 /nfs/dbraw/zinc/02/86/80/779028680.db2.gz GXJFIQKKHSTXLM-SFHVURJKSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1cccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237154872 779028687 /nfs/dbraw/zinc/02/86/87/779028687.db2.gz GXJFIQKKHSTXLM-SFHVURJKSA-N 2 2 268.404 2.774 20 30 CFEDLP C#CC[NH+](CC#C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237888873 779202412 /nfs/dbraw/zinc/20/24/12/779202412.db2.gz GEKADLRDNHCFHV-UHFFFAOYSA-N 2 2 278.399 2.756 20 30 CFEDLP N#Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1Cl ZINC001205124693 779277012 /nfs/dbraw/zinc/27/70/12/779277012.db2.gz YFCCIVWDKXYSPZ-ZDUSSCGKSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccc1Cl ZINC001205124693 779277017 /nfs/dbraw/zinc/27/70/17/779277017.db2.gz YFCCIVWDKXYSPZ-ZDUSSCGKSA-N 2 2 263.772 2.525 20 30 CFEDLP Cc1cn2c(cccc2-c2cc(C#N)cc(C3C[NH2+]C3)c2)[nH+]1 ZINC001240345449 780096908 /nfs/dbraw/zinc/09/69/08/780096908.db2.gz HKWAWTFQBOSEKK-UHFFFAOYSA-N 2 2 288.354 2.868 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709904559 781321236 /nfs/dbraw/zinc/32/12/36/781321236.db2.gz RBBDHLZGUVJINT-UHFFFAOYSA-N 2 2 271.408 2.783 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594522475 349442188 /nfs/dbraw/zinc/44/21/88/349442188.db2.gz YKROZSBZKXEEKL-IRXDYDNUSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594522475 349442192 /nfs/dbraw/zinc/44/21/92/349442192.db2.gz YKROZSBZKXEEKL-IRXDYDNUSA-N 2 2 269.392 2.665 20 30 CFEDLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)n1C ZINC000594940839 349521236 /nfs/dbraw/zinc/52/12/36/349521236.db2.gz NGKMHWZHKOLCDM-UHFFFAOYSA-N 2 2 274.755 2.543 20 30 CFEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595505288 349644626 /nfs/dbraw/zinc/64/46/26/349644626.db2.gz RMGSGSFUUFYDLS-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595505288 349644632 /nfs/dbraw/zinc/64/46/32/349644632.db2.gz RMGSGSFUUFYDLS-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595505288 349644635 /nfs/dbraw/zinc/64/46/35/349644635.db2.gz RMGSGSFUUFYDLS-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595505288 349644641 /nfs/dbraw/zinc/64/46/41/349644641.db2.gz RMGSGSFUUFYDLS-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1F)C2 ZINC000595508209 349645727 /nfs/dbraw/zinc/64/57/27/349645727.db2.gz VNIDTSFBAROUGD-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1F)C2 ZINC000595508209 349645729 /nfs/dbraw/zinc/64/57/29/349645729.db2.gz VNIDTSFBAROUGD-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC000595508209 349645731 /nfs/dbraw/zinc/64/57/31/349645731.db2.gz VNIDTSFBAROUGD-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC000595508209 349645734 /nfs/dbraw/zinc/64/57/34/349645734.db2.gz VNIDTSFBAROUGD-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000596649375 349967838 /nfs/dbraw/zinc/96/78/38/349967838.db2.gz ZLGZDQNJAPGCQI-VDHUWJSZSA-N 2 2 283.419 2.804 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958579 347389078 /nfs/dbraw/zinc/38/90/78/347389078.db2.gz CXCQAGCZFRNGPA-ZDUSSCGKSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958579 347389080 /nfs/dbraw/zinc/38/90/80/347389080.db2.gz CXCQAGCZFRNGPA-ZDUSSCGKSA-N 2 2 284.338 2.800 20 30 CFEDLP C#CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072895 347609389 /nfs/dbraw/zinc/60/93/89/347609389.db2.gz RBBPVLZOFUPRAF-INIZCTEOSA-N 2 2 295.386 2.801 20 30 CFEDLP C#CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072895 347609393 /nfs/dbraw/zinc/60/93/93/347609393.db2.gz RBBPVLZOFUPRAF-INIZCTEOSA-N 2 2 295.386 2.801 20 30 CFEDLP N#Cc1csc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866233 347686287 /nfs/dbraw/zinc/68/62/87/347686287.db2.gz WLFGMYPMDBSLFT-CQSZACIVSA-N 2 2 285.372 2.668 20 30 CFEDLP N#Cc1csc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866233 347686289 /nfs/dbraw/zinc/68/62/89/347686289.db2.gz WLFGMYPMDBSLFT-CQSZACIVSA-N 2 2 285.372 2.668 20 30 CFEDLP C=CC[N@@H+](CCC#N)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000590050753 348871719 /nfs/dbraw/zinc/87/17/19/348871719.db2.gz ZXPWYNHCKRHDGQ-UHFFFAOYSA-N 2 2 287.407 2.529 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000591577334 349030974 /nfs/dbraw/zinc/03/09/74/349030974.db2.gz RSBKUNGSFCHBKU-KRWDZBQOSA-N 2 2 269.392 2.667 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cc[nH]c3)CC2)c1 ZINC000593693066 349310519 /nfs/dbraw/zinc/31/05/19/349310519.db2.gz NTRAOFFAIKPZAA-UHFFFAOYSA-N 2 2 294.402 2.641 20 30 CFEDLP C[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593702291 349313019 /nfs/dbraw/zinc/31/30/19/349313019.db2.gz LBOVKESWLTZDSK-RHSMWYFYSA-N 2 2 283.419 2.768 20 30 CFEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC000599314676 350412997 /nfs/dbraw/zinc/41/29/97/350412997.db2.gz HTHOWAGTXHXUQZ-UHFFFAOYSA-N 2 2 271.408 2.783 20 30 CFEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC000599314676 350412998 /nfs/dbraw/zinc/41/29/98/350412998.db2.gz HTHOWAGTXHXUQZ-UHFFFAOYSA-N 2 2 271.408 2.783 20 30 CFEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599318174 350414072 /nfs/dbraw/zinc/41/40/72/350414072.db2.gz VVMLYUYXVYZPME-INIZCTEOSA-N 2 2 271.408 2.640 20 30 CFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599318174 350414073 /nfs/dbraw/zinc/41/40/73/350414073.db2.gz VVMLYUYXVYZPME-INIZCTEOSA-N 2 2 271.408 2.640 20 30 CFEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599318174 350414074 /nfs/dbraw/zinc/41/40/74/350414074.db2.gz VVMLYUYXVYZPME-INIZCTEOSA-N 2 2 271.408 2.640 20 30 CFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599318174 350414075 /nfs/dbraw/zinc/41/40/75/350414075.db2.gz VVMLYUYXVYZPME-INIZCTEOSA-N 2 2 271.408 2.640 20 30 CFEDLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C[C@@H](C)CCC#N)CC2 ZINC000602476296 350898563 /nfs/dbraw/zinc/89/85/63/350898563.db2.gz MFOGVJJFUAJNEF-XHSDSOJGSA-N 2 2 263.429 2.873 20 30 CFEDLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C[C@@H](C)CCC#N)CC2 ZINC000602476296 350898567 /nfs/dbraw/zinc/89/85/67/350898567.db2.gz MFOGVJJFUAJNEF-XHSDSOJGSA-N 2 2 263.429 2.873 20 30 CFEDLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@@H](C)CCC#N)CC2 ZINC000602476296 350898571 /nfs/dbraw/zinc/89/85/71/350898571.db2.gz MFOGVJJFUAJNEF-XHSDSOJGSA-N 2 2 263.429 2.873 20 30 CFEDLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@@H](C)CCC#N)CC2 ZINC000602476296 350898577 /nfs/dbraw/zinc/89/85/77/350898577.db2.gz MFOGVJJFUAJNEF-XHSDSOJGSA-N 2 2 263.429 2.873 20 30 CFEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000602483156 350902138 /nfs/dbraw/zinc/90/21/38/350902138.db2.gz HAOPKYFSGVNEDP-RBSFLKMASA-N 2 2 260.385 2.706 20 30 CFEDLP C[C@H](CCC#N)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000602483156 350902141 /nfs/dbraw/zinc/90/21/41/350902141.db2.gz HAOPKYFSGVNEDP-RBSFLKMASA-N 2 2 260.385 2.706 20 30 CFEDLP CCC[NH+](CCC)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602512114 350910058 /nfs/dbraw/zinc/91/00/58/350910058.db2.gz WYYHFGZFDLQVAD-UHFFFAOYSA-N 2 2 274.412 2.555 20 30 CFEDLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C1CCC(C#N)CC1 ZINC000602518523 350912056 /nfs/dbraw/zinc/91/20/56/350912056.db2.gz PKDSCHQDKUXIOS-DAWZGUTISA-N 2 2 285.435 2.831 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000602527139 350914713 /nfs/dbraw/zinc/91/47/13/350914713.db2.gz ZSQFJNJTADLOHC-GJZGRUSLSA-N 2 2 251.418 2.636 20 30 CFEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602544837 350919109 /nfs/dbraw/zinc/91/91/09/350919109.db2.gz DPBUVPXGWOJDLM-HOTGVXAUSA-N 2 2 293.455 2.549 20 30 CFEDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602544837 350919112 /nfs/dbraw/zinc/91/91/12/350919112.db2.gz DPBUVPXGWOJDLM-HOTGVXAUSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000602645182 350960131 /nfs/dbraw/zinc/96/01/31/350960131.db2.gz VXSIAQCNOLCSLC-UONOGXRCSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000602645182 350960135 /nfs/dbraw/zinc/96/01/35/350960135.db2.gz VXSIAQCNOLCSLC-UONOGXRCSA-N 2 2 251.418 2.636 20 30 CFEDLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602653806 350962446 /nfs/dbraw/zinc/96/24/46/350962446.db2.gz PBHOHEWUJRPPTR-WMLDXEAASA-N 2 2 289.423 2.827 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000602705506 350989780 /nfs/dbraw/zinc/98/97/80/350989780.db2.gz HDDDQKFPGQDHHP-LSDHHAIUSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000602705506 350989783 /nfs/dbraw/zinc/98/97/83/350989783.db2.gz HDDDQKFPGQDHHP-LSDHHAIUSA-N 2 2 293.455 2.548 20 30 CFEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000610447978 351568295 /nfs/dbraw/zinc/56/82/95/351568295.db2.gz WLSMBCKMURXOKO-AWEZNQCLSA-N 2 2 251.418 2.779 20 30 CFEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000610447978 351568298 /nfs/dbraw/zinc/56/82/98/351568298.db2.gz WLSMBCKMURXOKO-AWEZNQCLSA-N 2 2 251.418 2.779 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804342 352883127 /nfs/dbraw/zinc/88/31/27/352883127.db2.gz KTONFMNOIIOKOX-PJSAGSTRSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804342 352883130 /nfs/dbraw/zinc/88/31/30/352883130.db2.gz KTONFMNOIIOKOX-PJSAGSTRSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[N@@H+]1C1CC1 ZINC000334735796 291082485 /nfs/dbraw/zinc/08/24/85/291082485.db2.gz PUQTYKADXWAFSW-PGOFDVKTSA-N 2 2 261.413 2.674 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[N@H+]1C1CC1 ZINC000334735796 291082487 /nfs/dbraw/zinc/08/24/87/291082487.db2.gz PUQTYKADXWAFSW-PGOFDVKTSA-N 2 2 261.413 2.674 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000294861469 199218810 /nfs/dbraw/zinc/21/88/10/199218810.db2.gz BZWOANZHJXCBFM-CYBMUJFWSA-N 2 2 296.361 2.894 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000294861469 199218812 /nfs/dbraw/zinc/21/88/12/199218812.db2.gz BZWOANZHJXCBFM-CYBMUJFWSA-N 2 2 296.361 2.894 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000294924502 199252403 /nfs/dbraw/zinc/25/24/03/199252403.db2.gz HATAQOPTNFKYEY-AWEZNQCLSA-N 2 2 290.455 2.552 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000294924502 199252404 /nfs/dbraw/zinc/25/24/04/199252404.db2.gz HATAQOPTNFKYEY-AWEZNQCLSA-N 2 2 290.455 2.552 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC=C)CC2)cc1 ZINC000177907564 189078572 /nfs/dbraw/zinc/07/85/72/189078572.db2.gz VSDBGPPPOJTWAA-INIZCTEOSA-N 2 2 298.430 3.000 20 30 CFEDLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1C#N ZINC000442885472 241016622 /nfs/dbraw/zinc/01/66/22/241016622.db2.gz NJGQQZYKYHGSLX-UHFFFAOYSA-N 2 2 296.374 2.670 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188444 373790232 /nfs/dbraw/zinc/79/02/32/373790232.db2.gz DHJYTOVNINOWRK-DLBZAZTESA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188444 373790239 /nfs/dbraw/zinc/79/02/39/373790239.db2.gz DHJYTOVNINOWRK-DLBZAZTESA-N 2 2 269.392 2.665 20 30 CFEDLP C=CC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108519 374532607 /nfs/dbraw/zinc/53/26/07/374532607.db2.gz IMFMJZUQSFMUOP-UHFFFAOYSA-N 2 2 259.397 2.806 20 30 CFEDLP C=CC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108519 374532609 /nfs/dbraw/zinc/53/26/09/374532609.db2.gz IMFMJZUQSFMUOP-UHFFFAOYSA-N 2 2 259.397 2.806 20 30 CFEDLP C=CCOc1ccccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000091670235 375055443 /nfs/dbraw/zinc/05/54/43/375055443.db2.gz ZXMRSLFMXPUSJL-UHFFFAOYSA-N 2 2 274.408 2.777 20 30 CFEDLP C#CCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648730 375135953 /nfs/dbraw/zinc/13/59/53/375135953.db2.gz CSOUOPRLDNDZTF-UHFFFAOYSA-N 2 2 295.386 2.732 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000106245146 375796143 /nfs/dbraw/zinc/79/61/43/375796143.db2.gz WJKGWDBPEPSUCI-UHFFFAOYSA-N 2 2 290.455 2.837 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000264231508 383713141 /nfs/dbraw/zinc/71/31/41/383713141.db2.gz RWDNRBRSEUMFNG-HOTGVXAUSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000264231508 383713144 /nfs/dbraw/zinc/71/31/44/383713144.db2.gz RWDNRBRSEUMFNG-HOTGVXAUSA-N 2 2 298.434 2.870 20 30 CFEDLP C=C(C)COCC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000120584569 376645931 /nfs/dbraw/zinc/64/59/31/376645931.db2.gz ZFULXFHZLNWSPG-AEFFLSMTSA-N 2 2 288.435 2.832 20 30 CFEDLP C=C(C)COCC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000120584569 376645936 /nfs/dbraw/zinc/64/59/36/376645936.db2.gz ZFULXFHZLNWSPG-AEFFLSMTSA-N 2 2 288.435 2.832 20 30 CFEDLP COc1cc(C#N)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000121377739 376818336 /nfs/dbraw/zinc/81/83/36/376818336.db2.gz OAJSPWONJKQPBB-UHFFFAOYSA-N 2 2 287.407 2.529 20 30 CFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121583987 376864019 /nfs/dbraw/zinc/86/40/19/376864019.db2.gz UQPCGLZJVSMCEC-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121583987 376864023 /nfs/dbraw/zinc/86/40/23/376864023.db2.gz UQPCGLZJVSMCEC-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121583987 376864029 /nfs/dbraw/zinc/86/40/29/376864029.db2.gz UQPCGLZJVSMCEC-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121583987 376864034 /nfs/dbraw/zinc/86/40/34/376864034.db2.gz UQPCGLZJVSMCEC-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000129925874 377489500 /nfs/dbraw/zinc/48/95/00/377489500.db2.gz UJVWRENRMSSSIT-CYBMUJFWSA-N 2 2 275.421 2.537 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)s1 ZINC000129925874 377489506 /nfs/dbraw/zinc/48/95/06/377489506.db2.gz UJVWRENRMSSSIT-CYBMUJFWSA-N 2 2 275.421 2.537 20 30 CFEDLP C=C(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000130811921 377615999 /nfs/dbraw/zinc/61/59/99/377615999.db2.gz ZTQDZOODMAFIDS-UHFFFAOYSA-N 2 2 250.308 2.569 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151124278 378297745 /nfs/dbraw/zinc/29/77/45/378297745.db2.gz NEDHJGXNWBSOCA-HNNXBMFYSA-N 2 2 283.375 2.636 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000159041853 378681302 /nfs/dbraw/zinc/68/13/02/378681302.db2.gz XUDJRBTXBRHQNT-AWEZNQCLSA-N 2 2 259.397 2.773 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)nc2C)CC1 ZINC000278491528 194009954 /nfs/dbraw/zinc/00/99/54/194009954.db2.gz MDXVYZALNXNINW-UHFFFAOYSA-N 2 2 277.387 2.659 20 30 CFEDLP CC(C)(C#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000168930346 379100097 /nfs/dbraw/zinc/10/00/97/379100097.db2.gz QERGUNMXNHYJCC-UHFFFAOYSA-N 2 2 254.337 2.512 20 30 CFEDLP C=C1CC[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000264465040 383742862 /nfs/dbraw/zinc/74/28/62/383742862.db2.gz LNBZJIPLOUAOQP-MRXNPFEDSA-N 2 2 299.418 2.666 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000178672587 380475060 /nfs/dbraw/zinc/47/50/60/380475060.db2.gz PWRBZEVRUVMJEJ-SJORKVTESA-N 2 2 280.456 2.678 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000178672587 380475064 /nfs/dbraw/zinc/47/50/64/380475064.db2.gz PWRBZEVRUVMJEJ-SJORKVTESA-N 2 2 280.456 2.678 20 30 CFEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)CCCn1cc[nH+]c1 ZINC000181075078 380735468 /nfs/dbraw/zinc/73/54/68/380735468.db2.gz RAZAHZOIQBPXIR-UHFFFAOYSA-N 2 2 287.794 2.910 20 30 CFEDLP C[N@H+](CC#Cc1cccc(Cl)c1)CCCn1cc[nH+]c1 ZINC000181075078 380735471 /nfs/dbraw/zinc/73/54/71/380735471.db2.gz RAZAHZOIQBPXIR-UHFFFAOYSA-N 2 2 287.794 2.910 20 30 CFEDLP C#CCSCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181095899 380738370 /nfs/dbraw/zinc/73/83/70/380738370.db2.gz GMCZOBQKKTXWNQ-AWEZNQCLSA-N 2 2 285.416 2.889 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000347020881 380885851 /nfs/dbraw/zinc/88/58/51/380885851.db2.gz NCRGCMKLLXAZIH-YOEHRIQHSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000347020881 380885864 /nfs/dbraw/zinc/88/58/64/380885864.db2.gz NCRGCMKLLXAZIH-YOEHRIQHSA-N 2 2 274.408 2.953 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358570717 380936824 /nfs/dbraw/zinc/93/68/24/380936824.db2.gz NZZCSZOUPQSROR-GXTWGEPZSA-N 2 2 287.382 2.832 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358570717 380936834 /nfs/dbraw/zinc/93/68/34/380936834.db2.gz NZZCSZOUPQSROR-GXTWGEPZSA-N 2 2 287.382 2.832 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1[nH+]ccn1C)C(C)C ZINC000182371501 381076449 /nfs/dbraw/zinc/07/64/49/381076449.db2.gz MMLNETXDXWRDBE-HOTGVXAUSA-N 2 2 290.455 2.769 20 30 CFEDLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000290110882 381303501 /nfs/dbraw/zinc/30/35/01/381303501.db2.gz SRLFTTKOXQAOMZ-AWEZNQCLSA-N 2 2 282.391 2.917 20 30 CFEDLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000290110882 381303507 /nfs/dbraw/zinc/30/35/07/381303507.db2.gz SRLFTTKOXQAOMZ-AWEZNQCLSA-N 2 2 282.391 2.917 20 30 CFEDLP C[C@H](C#N)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000183822110 381324958 /nfs/dbraw/zinc/32/49/58/381324958.db2.gz VYCSTLDKFCFQEA-OAHLLOKOSA-N 2 2 273.424 2.894 20 30 CFEDLP C[C@H](C#N)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000183822110 381324962 /nfs/dbraw/zinc/32/49/62/381324962.db2.gz VYCSTLDKFCFQEA-OAHLLOKOSA-N 2 2 273.424 2.894 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183825468 381326802 /nfs/dbraw/zinc/32/68/02/381326802.db2.gz WAFCJCKICZDWQZ-LAVFITLUSA-N 2 2 283.419 2.646 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183825468 381326803 /nfs/dbraw/zinc/32/68/03/381326803.db2.gz WAFCJCKICZDWQZ-LAVFITLUSA-N 2 2 283.419 2.646 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000370722792 381498332 /nfs/dbraw/zinc/49/83/32/381498332.db2.gz FBBWNOWVJSEUMY-AWEZNQCLSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000370722792 381498336 /nfs/dbraw/zinc/49/83/36/381498336.db2.gz FBBWNOWVJSEUMY-AWEZNQCLSA-N 2 2 298.365 2.810 20 30 CFEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC#N)cc1 ZINC000348367835 381535617 /nfs/dbraw/zinc/53/56/17/381535617.db2.gz FUTHGMTUVBYFTR-GFCCVEGCSA-N 2 2 254.337 2.745 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[N@@H+]1C1CC1 ZINC000342808974 381556959 /nfs/dbraw/zinc/55/69/59/381556959.db2.gz SPUYMRAILHDREX-BBRMVZONSA-N 2 2 281.403 2.762 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[N@H+]1C1CC1 ZINC000342808974 381556965 /nfs/dbraw/zinc/55/69/65/381556965.db2.gz SPUYMRAILHDREX-BBRMVZONSA-N 2 2 281.403 2.762 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000414551335 381596465 /nfs/dbraw/zinc/59/64/65/381596465.db2.gz OPELSRPSUOBDGD-CYBMUJFWSA-N 2 2 297.324 2.761 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000414551335 381596468 /nfs/dbraw/zinc/59/64/68/381596468.db2.gz OPELSRPSUOBDGD-CYBMUJFWSA-N 2 2 297.324 2.761 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000349805366 381991783 /nfs/dbraw/zinc/99/17/83/381991783.db2.gz VMKYSKWNXAVULH-JSGCOSHPSA-N 2 2 284.338 2.793 20 30 CFEDLP C=CC[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000351737517 382058788 /nfs/dbraw/zinc/05/87/88/382058788.db2.gz TZDXKQMGCWQPOU-UHFFFAOYSA-N 2 2 299.462 2.849 20 30 CFEDLP C=CC[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000351737517 382058792 /nfs/dbraw/zinc/05/87/92/382058792.db2.gz TZDXKQMGCWQPOU-UHFFFAOYSA-N 2 2 299.462 2.849 20 30 CFEDLP C=C(C)CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000351854719 382067170 /nfs/dbraw/zinc/06/71/70/382067170.db2.gz HBPKWIKZFCXBEO-UHFFFAOYSA-N 2 2 288.439 2.997 20 30 CFEDLP C=C(C)C[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000375360479 382081893 /nfs/dbraw/zinc/08/18/93/382081893.db2.gz GAZVZCHNQGXFGX-SFHVURJKSA-N 2 2 288.435 2.785 20 30 CFEDLP C=C(C)C[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000375360479 382081903 /nfs/dbraw/zinc/08/19/03/382081903.db2.gz GAZVZCHNQGXFGX-SFHVURJKSA-N 2 2 288.435 2.785 20 30 CFEDLP C=C(C)C[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000375360479 382081910 /nfs/dbraw/zinc/08/19/10/382081910.db2.gz GAZVZCHNQGXFGX-SFHVURJKSA-N 2 2 288.435 2.785 20 30 CFEDLP C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000187074538 382093277 /nfs/dbraw/zinc/09/32/77/382093277.db2.gz UQCFOASANKFOMT-ZDUSSCGKSA-N 2 2 291.826 2.985 20 30 CFEDLP C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000187074538 382093282 /nfs/dbraw/zinc/09/32/82/382093282.db2.gz UQCFOASANKFOMT-ZDUSSCGKSA-N 2 2 291.826 2.985 20 30 CFEDLP C[NH+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000187074538 382093289 /nfs/dbraw/zinc/09/32/89/382093289.db2.gz UQCFOASANKFOMT-ZDUSSCGKSA-N 2 2 291.826 2.985 20 30 CFEDLP C[NH+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000187074538 382093301 /nfs/dbraw/zinc/09/33/01/382093301.db2.gz UQCFOASANKFOMT-ZDUSSCGKSA-N 2 2 291.826 2.985 20 30 CFEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000352405534 382312747 /nfs/dbraw/zinc/31/27/47/382312747.db2.gz IIMRNSQBSYRYTL-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000352405534 382312751 /nfs/dbraw/zinc/31/27/51/382312751.db2.gz IIMRNSQBSYRYTL-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000352405534 382312752 /nfs/dbraw/zinc/31/27/52/382312752.db2.gz IIMRNSQBSYRYTL-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000352405534 382312756 /nfs/dbraw/zinc/31/27/56/382312756.db2.gz IIMRNSQBSYRYTL-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP N#CC1(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000352431928 382330233 /nfs/dbraw/zinc/33/02/33/382330233.db2.gz NOCNMIFEALVHOT-MSOLQXFVSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000352431928 382330241 /nfs/dbraw/zinc/33/02/41/382330241.db2.gz NOCNMIFEALVHOT-MSOLQXFVSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000352431928 382330245 /nfs/dbraw/zinc/33/02/45/382330245.db2.gz NOCNMIFEALVHOT-MSOLQXFVSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000352431928 382330249 /nfs/dbraw/zinc/33/02/49/382330249.db2.gz NOCNMIFEALVHOT-MSOLQXFVSA-N 2 2 295.430 2.744 20 30 CFEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)CCC2 ZINC000365732652 382435931 /nfs/dbraw/zinc/43/59/31/382435931.db2.gz FVBSLNYPCMVRII-KKUMJFAQSA-N 2 2 272.396 2.741 20 30 CFEDLP C=C(C)C[N@@H+](CCn1cc[nH+]c1)Cc1cnn(C(C)C)c1 ZINC000352915463 382483087 /nfs/dbraw/zinc/48/30/87/382483087.db2.gz OTPAYJBSBYWHDF-UHFFFAOYSA-N 2 2 287.411 2.739 20 30 CFEDLP C=C(C)C[N@H+](CCn1cc[nH+]c1)Cc1cnn(C(C)C)c1 ZINC000352915463 382483090 /nfs/dbraw/zinc/48/30/90/382483090.db2.gz OTPAYJBSBYWHDF-UHFFFAOYSA-N 2 2 287.411 2.739 20 30 CFEDLP C=CCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000352930804 382483541 /nfs/dbraw/zinc/48/35/41/382483541.db2.gz MINIDGXUZGZYRM-SJLPKXTDSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000352930804 382483545 /nfs/dbraw/zinc/48/35/45/382483545.db2.gz MINIDGXUZGZYRM-SJLPKXTDSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000352930804 382483549 /nfs/dbraw/zinc/48/35/49/382483549.db2.gz MINIDGXUZGZYRM-SJLPKXTDSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000352930804 382483552 /nfs/dbraw/zinc/48/35/52/382483552.db2.gz MINIDGXUZGZYRM-SJLPKXTDSA-N 2 2 286.419 2.777 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353748876 382624216 /nfs/dbraw/zinc/62/42/16/382624216.db2.gz SLUNNFREJKZMLT-QWHCGFSZSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353748876 382624217 /nfs/dbraw/zinc/62/42/17/382624217.db2.gz SLUNNFREJKZMLT-QWHCGFSZSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353748876 382624219 /nfs/dbraw/zinc/62/42/19/382624219.db2.gz SLUNNFREJKZMLT-QWHCGFSZSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353748876 382624220 /nfs/dbraw/zinc/62/42/20/382624220.db2.gz SLUNNFREJKZMLT-QWHCGFSZSA-N 2 2 277.437 2.924 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000442711532 382948442 /nfs/dbraw/zinc/94/84/42/382948442.db2.gz SAIFBSJIUOBOJS-IAGOWNOFSA-N 2 2 280.375 2.713 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000536593708 382955923 /nfs/dbraw/zinc/95/59/23/382955923.db2.gz WCMSFGMHSNALNF-OAHLLOKOSA-N 2 2 299.805 2.915 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000536593708 382955926 /nfs/dbraw/zinc/95/59/26/382955926.db2.gz WCMSFGMHSNALNF-OAHLLOKOSA-N 2 2 299.805 2.915 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000442785331 382956267 /nfs/dbraw/zinc/95/62/67/382956267.db2.gz VLSYHLXKNRRTFR-OIISXLGYSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442785331 382956271 /nfs/dbraw/zinc/95/62/71/382956271.db2.gz VLSYHLXKNRRTFR-OIISXLGYSA-N 2 2 271.408 2.789 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000442786865 382956929 /nfs/dbraw/zinc/95/69/29/382956929.db2.gz CICOCKPVIZOXLP-OWCLPIDISA-N 2 2 261.413 2.533 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000442786865 382956933 /nfs/dbraw/zinc/95/69/33/382956933.db2.gz CICOCKPVIZOXLP-OWCLPIDISA-N 2 2 261.413 2.533 20 30 CFEDLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423391388 383079345 /nfs/dbraw/zinc/07/93/45/383079345.db2.gz PINIIEFJVADUJV-IAGOWNOFSA-N 2 2 283.419 2.913 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247438005 383172080 /nfs/dbraw/zinc/17/20/80/383172080.db2.gz IQFUBLBHNMWNNX-WMLDXEAASA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247438005 383172086 /nfs/dbraw/zinc/17/20/86/383172086.db2.gz IQFUBLBHNMWNNX-WMLDXEAASA-N 2 2 280.375 2.838 20 30 CFEDLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CCC#N ZINC000566063995 383183342 /nfs/dbraw/zinc/18/33/42/383183342.db2.gz UYVKDHXMERAVLF-UHFFFAOYSA-N 2 2 283.375 2.915 20 30 CFEDLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CCC#N ZINC000566063995 383183344 /nfs/dbraw/zinc/18/33/44/383183344.db2.gz UYVKDHXMERAVLF-UHFFFAOYSA-N 2 2 283.375 2.915 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC000247345164 383165328 /nfs/dbraw/zinc/16/53/28/383165328.db2.gz GUXMWAGHAQXZTR-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC000247345164 383165333 /nfs/dbraw/zinc/16/53/33/383165333.db2.gz GUXMWAGHAQXZTR-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC000247345164 383165336 /nfs/dbraw/zinc/16/53/36/383165336.db2.gz GUXMWAGHAQXZTR-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC000247345164 383165340 /nfs/dbraw/zinc/16/53/40/383165340.db2.gz GUXMWAGHAQXZTR-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247385545 383169014 /nfs/dbraw/zinc/16/90/14/383169014.db2.gz IEYOAFNTWCHQAJ-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247385545 383169016 /nfs/dbraw/zinc/16/90/16/383169016.db2.gz IEYOAFNTWCHQAJ-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394579 383260685 /nfs/dbraw/zinc/26/06/85/383260685.db2.gz GQPKBPWOFKSLMP-HOTGVXAUSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394579 383260688 /nfs/dbraw/zinc/26/06/88/383260688.db2.gz GQPKBPWOFKSLMP-HOTGVXAUSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449393993 383260948 /nfs/dbraw/zinc/26/09/48/383260948.db2.gz DENFFGSLSUNLKL-HZPDHXFCSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449393993 383260951 /nfs/dbraw/zinc/26/09/51/383260951.db2.gz DENFFGSLSUNLKL-HZPDHXFCSA-N 2 2 268.445 2.558 20 30 CFEDLP Cc1cc(NCCCCC[NH+]2CCCCC2)c(C#N)c[nH+]1 ZINC000425234582 383344953 /nfs/dbraw/zinc/34/49/53/383344953.db2.gz XZRCUGXZNVALFA-UHFFFAOYSA-N 2 2 286.423 2.752 20 30 CFEDLP CC#CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000480564753 383419793 /nfs/dbraw/zinc/41/97/93/383419793.db2.gz RNDLGBKMZKBMDQ-MOPGFXCFSA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000480564753 383419799 /nfs/dbraw/zinc/41/97/99/383419799.db2.gz RNDLGBKMZKBMDQ-MOPGFXCFSA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480564753 383419805 /nfs/dbraw/zinc/41/98/05/383419805.db2.gz RNDLGBKMZKBMDQ-MOPGFXCFSA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480564753 383419812 /nfs/dbraw/zinc/41/98/12/383419812.db2.gz RNDLGBKMZKBMDQ-MOPGFXCFSA-N 2 2 282.431 2.996 20 30 CFEDLP COc1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)ccc1C#N ZINC000262423321 383620940 /nfs/dbraw/zinc/62/09/40/383620940.db2.gz FGGKUCMNRKUMQP-UHFFFAOYSA-N 2 2 299.418 2.531 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573880847 384004879 /nfs/dbraw/zinc/00/48/79/384004879.db2.gz VOXFOKCCYHKTKT-RRQGHBQHSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573880847 384004886 /nfs/dbraw/zinc/00/48/86/384004886.db2.gz VOXFOKCCYHKTKT-RRQGHBQHSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573880847 384004894 /nfs/dbraw/zinc/00/48/94/384004894.db2.gz VOXFOKCCYHKTKT-RRQGHBQHSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573880847 384004897 /nfs/dbraw/zinc/00/48/97/384004897.db2.gz VOXFOKCCYHKTKT-RRQGHBQHSA-N 2 2 269.392 2.788 20 30 CFEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574951814 384167916 /nfs/dbraw/zinc/16/79/16/384167916.db2.gz XBISCDUTTROBSI-ZWKOTPCHSA-N 2 2 296.418 2.542 20 30 CFEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574951814 384167922 /nfs/dbraw/zinc/16/79/22/384167922.db2.gz XBISCDUTTROBSI-ZWKOTPCHSA-N 2 2 296.418 2.542 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000277143005 384213131 /nfs/dbraw/zinc/21/31/31/384213131.db2.gz JFELWTPOJLQWDN-QGZVFWFLSA-N 2 2 274.383 2.593 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000277143005 384213134 /nfs/dbraw/zinc/21/31/34/384213134.db2.gz JFELWTPOJLQWDN-QGZVFWFLSA-N 2 2 274.383 2.593 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC000277413019 384295138 /nfs/dbraw/zinc/29/51/38/384295138.db2.gz INMRLFDLOYOKEV-GFCCVEGCSA-N 2 2 263.410 2.536 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000277413019 384295140 /nfs/dbraw/zinc/29/51/40/384295140.db2.gz INMRLFDLOYOKEV-GFCCVEGCSA-N 2 2 263.410 2.536 20 30 CFEDLP N#Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000268258518 384581359 /nfs/dbraw/zinc/58/13/59/384581359.db2.gz WRQLFFYRZYVKOY-CYBMUJFWSA-N 2 2 284.338 2.800 20 30 CFEDLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000268326271 384602190 /nfs/dbraw/zinc/60/21/90/384602190.db2.gz OLAGPARQHJCATO-UHFFFAOYSA-N 2 2 292.386 2.584 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccco1 ZINC000643538443 384718779 /nfs/dbraw/zinc/71/87/79/384718779.db2.gz KKODAIYNDCMDHP-AVGNSLFASA-N 2 2 252.333 2.577 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]CCc1cc[nH+]cc1C ZINC000269986569 384931899 /nfs/dbraw/zinc/93/18/99/384931899.db2.gz OENFINOFZXLIQU-UHFFFAOYSA-N 2 2 280.371 2.734 20 30 CFEDLP C#CCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270525016 385134022 /nfs/dbraw/zinc/13/40/22/385134022.db2.gz NGJKCAPAAWOUFP-HNNXBMFYSA-N 2 2 267.376 2.832 20 30 CFEDLP C#CCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270525016 385134030 /nfs/dbraw/zinc/13/40/30/385134030.db2.gz NGJKCAPAAWOUFP-HNNXBMFYSA-N 2 2 267.376 2.832 20 30 CFEDLP C=CC[C@@H](CC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000281677275 385200580 /nfs/dbraw/zinc/20/05/80/385200580.db2.gz RGOYQUXOCACICB-CQSZACIVSA-N 2 2 259.397 2.995 20 30 CFEDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C#N ZINC000282294956 385275396 /nfs/dbraw/zinc/27/53/96/385275396.db2.gz LYZREYYJJQYXQF-OAHLLOKOSA-N 2 2 296.374 2.670 20 30 CFEDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C#N ZINC000282294956 385275403 /nfs/dbraw/zinc/27/54/03/385275403.db2.gz LYZREYYJJQYXQF-OAHLLOKOSA-N 2 2 296.374 2.670 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C#N)c(OC)c1 ZINC000282509328 385330701 /nfs/dbraw/zinc/33/07/01/385330701.db2.gz YUOFBJXYDPAOJA-SJORKVTESA-N 2 2 299.418 2.625 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C#N)c(OC)c1 ZINC000282509328 385330705 /nfs/dbraw/zinc/33/07/05/385330705.db2.gz YUOFBJXYDPAOJA-SJORKVTESA-N 2 2 299.418 2.625 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(OC)c1 ZINC000282509328 385330708 /nfs/dbraw/zinc/33/07/08/385330708.db2.gz YUOFBJXYDPAOJA-SJORKVTESA-N 2 2 299.418 2.625 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(OC)c1 ZINC000282509328 385330711 /nfs/dbraw/zinc/33/07/11/385330711.db2.gz YUOFBJXYDPAOJA-SJORKVTESA-N 2 2 299.418 2.625 20 30 CFEDLP C#CC[N@@H+](CC)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000271156724 385354727 /nfs/dbraw/zinc/35/47/27/385354727.db2.gz WHHWYZRVMOHZPY-UHFFFAOYSA-N 2 2 253.349 2.636 20 30 CFEDLP C#CC[N@H+](CC)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000271156724 385354730 /nfs/dbraw/zinc/35/47/30/385354730.db2.gz WHHWYZRVMOHZPY-UHFFFAOYSA-N 2 2 253.349 2.636 20 30 CFEDLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000271958640 385411669 /nfs/dbraw/zinc/41/16/69/385411669.db2.gz SXVGWXWECGBRKL-GFCCVEGCSA-N 2 2 272.327 2.635 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271963243 385412339 /nfs/dbraw/zinc/41/23/39/385412339.db2.gz RTDQSEYYCCTRSP-SLEUVZQESA-N 2 2 287.382 2.973 20 30 CFEDLP CC1([NH+]2CCCC2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000639983924 385803535 /nfs/dbraw/zinc/80/35/35/385803535.db2.gz OBBNIMITJICENH-UHFFFAOYSA-N 2 2 282.431 2.988 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000355610979 130319822 /nfs/dbraw/zinc/31/98/22/130319822.db2.gz RUXHBOGEWZUFJN-UHFFFAOYSA-N 2 2 287.382 2.804 20 30 CFEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269414099 132167371 /nfs/dbraw/zinc/16/73/71/132167371.db2.gz JVBNQXCVBFAXOJ-HNNXBMFYSA-N 2 2 289.398 2.907 20 30 CFEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269414099 132167373 /nfs/dbraw/zinc/16/73/73/132167373.db2.gz JVBNQXCVBFAXOJ-HNNXBMFYSA-N 2 2 289.398 2.907 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000372699714 393454106 /nfs/dbraw/zinc/45/41/06/393454106.db2.gz YMYZZOOMUASTRY-UHFFFAOYSA-N 2 2 278.440 2.718 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000372676679 393454266 /nfs/dbraw/zinc/45/42/66/393454266.db2.gz RDDFVIKQIFNKJD-FIHXEBHWSA-N 2 2 295.430 2.683 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000372676679 393454271 /nfs/dbraw/zinc/45/42/71/393454271.db2.gz RDDFVIKQIFNKJD-FIHXEBHWSA-N 2 2 295.430 2.683 20 30 CFEDLP CCCCCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374318185 393492229 /nfs/dbraw/zinc/49/22/29/393492229.db2.gz PQSZCVUYBOMIST-QZTJIDSGSA-N 2 2 295.515 2.915 20 30 CFEDLP CCCCCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374318185 393492232 /nfs/dbraw/zinc/49/22/32/393492232.db2.gz PQSZCVUYBOMIST-QZTJIDSGSA-N 2 2 295.515 2.915 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000342748652 393869636 /nfs/dbraw/zinc/86/96/36/393869636.db2.gz XDUONZCKJLTKBD-WOSRLPQWSA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000342748652 393869642 /nfs/dbraw/zinc/86/96/42/393869642.db2.gz XDUONZCKJLTKBD-WOSRLPQWSA-N 2 2 257.381 2.692 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000246489734 393870667 /nfs/dbraw/zinc/87/06/67/393870667.db2.gz IILUZBSZUDXEOP-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000246489734 393870671 /nfs/dbraw/zinc/87/06/71/393870671.db2.gz IILUZBSZUDXEOP-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000246489734 393870676 /nfs/dbraw/zinc/87/06/76/393870676.db2.gz IILUZBSZUDXEOP-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000246489734 393870679 /nfs/dbraw/zinc/87/06/79/393870679.db2.gz IILUZBSZUDXEOP-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H](C)C#N ZINC000346171835 393923025 /nfs/dbraw/zinc/92/30/25/393923025.db2.gz BLAAKNYRFDJIDV-ZDUSSCGKSA-N 2 2 283.379 2.557 20 30 CFEDLP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H](C)C#N ZINC000346171835 393923028 /nfs/dbraw/zinc/92/30/28/393923028.db2.gz BLAAKNYRFDJIDV-ZDUSSCGKSA-N 2 2 283.379 2.557 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000121778202 393960493 /nfs/dbraw/zinc/96/04/93/393960493.db2.gz FXZNPFHRYPPSRE-UHFFFAOYSA-N 2 2 274.408 2.777 20 30 CFEDLP C=CCC[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000349448720 393969807 /nfs/dbraw/zinc/96/98/07/393969807.db2.gz FAQNYBBDYUIHRE-AWEZNQCLSA-N 2 2 268.445 2.820 20 30 CFEDLP C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129733454 394093429 /nfs/dbraw/zinc/09/34/29/394093429.db2.gz GRUXVKWDYAGGDN-QAPCUYQASA-N 2 2 297.377 2.957 20 30 CFEDLP C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129733454 394093431 /nfs/dbraw/zinc/09/34/31/394093431.db2.gz GRUXVKWDYAGGDN-QAPCUYQASA-N 2 2 297.377 2.957 20 30 CFEDLP COc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1C#N ZINC000282224630 394122645 /nfs/dbraw/zinc/12/26/45/394122645.db2.gz IFAXUUPYIQZXDO-UHFFFAOYSA-N 2 2 287.407 2.529 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423550921 394296516 /nfs/dbraw/zinc/29/65/16/394296516.db2.gz IPHSHODTRDSHMU-HOTGVXAUSA-N 2 2 257.381 2.741 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000546588973 394831077 /nfs/dbraw/zinc/83/10/77/394831077.db2.gz KERPIMKQYJBBRD-XJKSGUPXSA-N 2 2 280.375 2.842 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000546588973 394831079 /nfs/dbraw/zinc/83/10/79/394831079.db2.gz KERPIMKQYJBBRD-XJKSGUPXSA-N 2 2 280.375 2.842 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567774059 395083342 /nfs/dbraw/zinc/08/33/42/395083342.db2.gz PUZMDBNMGJJEAJ-RDJZCZTQSA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567774059 395083345 /nfs/dbraw/zinc/08/33/45/395083345.db2.gz PUZMDBNMGJJEAJ-RDJZCZTQSA-N 2 2 283.419 2.790 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647288118 395272129 /nfs/dbraw/zinc/27/21/29/395272129.db2.gz MFVKOKGCTBFBJX-AWEZNQCLSA-N 2 2 288.439 2.520 20 30 CFEDLP C=CCCCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000649353981 395476557 /nfs/dbraw/zinc/47/65/57/395476557.db2.gz DUJUXVYIBRYEBR-UHFFFAOYSA-N 2 2 259.397 2.868 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CNCc1[nH]cc(C)[nH+]1)C(C)C ZINC000657307599 413426191 /nfs/dbraw/zinc/42/61/91/413426191.db2.gz QFGKLDROBRMAJP-HNNXBMFYSA-N 2 2 276.428 2.506 20 30 CFEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000349816324 163019999 /nfs/dbraw/zinc/01/99/99/163019999.db2.gz MBRPILMPRMFPLH-UHFFFAOYSA-N 2 2 277.437 2.924 20 30 CFEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000349816324 163020002 /nfs/dbraw/zinc/02/00/02/163020002.db2.gz MBRPILMPRMFPLH-UHFFFAOYSA-N 2 2 277.437 2.924 20 30 CFEDLP C[N@H+](CCC[NH2+]Cc1nc(C#N)cs1)C1CCCCC1 ZINC000352837445 163247099 /nfs/dbraw/zinc/24/70/99/163247099.db2.gz AHORENLRYQHINT-UHFFFAOYSA-N 2 2 292.452 2.759 20 30 CFEDLP C[N@@H+](CCC[NH2+]Cc1nc(C#N)cs1)C1CCCCC1 ZINC000352837445 163247101 /nfs/dbraw/zinc/24/71/01/163247101.db2.gz AHORENLRYQHINT-UHFFFAOYSA-N 2 2 292.452 2.759 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000651665359 413552747 /nfs/dbraw/zinc/55/27/47/413552747.db2.gz WVOKZDBJCJOUJP-IXDOHACOSA-N 2 2 280.456 2.678 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000651665359 413552753 /nfs/dbraw/zinc/55/27/53/413552753.db2.gz WVOKZDBJCJOUJP-IXDOHACOSA-N 2 2 280.456 2.678 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000651670414 413556174 /nfs/dbraw/zinc/55/61/74/413556174.db2.gz HIKZBKCBEFVLKL-NXOAAHMSSA-N 2 2 280.456 2.820 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1COC2(CCC2)C1)C(C)C ZINC000657834931 413986658 /nfs/dbraw/zinc/98/66/58/413986658.db2.gz MUUFPHDKJSRRLO-IAGOWNOFSA-N 2 2 292.467 2.986 20 30 CFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000657899302 414038911 /nfs/dbraw/zinc/03/89/11/414038911.db2.gz BIOIPSUGRRXDFP-RDJZCZTQSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000658026445 414110819 /nfs/dbraw/zinc/11/08/19/414110819.db2.gz UOLXHMSDSCPZPQ-IKGGRYGDSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000658026445 414110831 /nfs/dbraw/zinc/11/08/31/414110831.db2.gz UOLXHMSDSCPZPQ-IKGGRYGDSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CCCC1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000665236977 414197391 /nfs/dbraw/zinc/19/73/91/414197391.db2.gz XMXSOYNDRGGILR-DLBZAZTESA-N 2 2 292.467 2.870 20 30 CFEDLP C=CCC[C@@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295388 414353511 /nfs/dbraw/zinc/35/35/11/414353511.db2.gz RZXBIHLWBYQKME-ZBFHGGJFSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655713140 414382598 /nfs/dbraw/zinc/38/25/98/414382598.db2.gz WDCCCPSWNSYPAH-JSGCOSHPSA-N 2 2 254.443 2.511 20 30 CFEDLP C=CC[C@]1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCC[NH2+]1 ZINC000662686812 414591729 /nfs/dbraw/zinc/59/17/29/414591729.db2.gz RBOSNILZUXNJRB-QGZVFWFLSA-N 2 2 296.374 2.509 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037213772 260074692 /nfs/dbraw/zinc/07/46/92/260074692.db2.gz XJVKAJZBQIQWAB-HOCLYGCPSA-N 2 2 287.407 2.724 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037213772 260074693 /nfs/dbraw/zinc/07/46/93/260074693.db2.gz XJVKAJZBQIQWAB-HOCLYGCPSA-N 2 2 287.407 2.724 20 30 CFEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361460220 261280259 /nfs/dbraw/zinc/28/02/59/261280259.db2.gz SXHUQJPFGUPRGD-QKPAOTATSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361460220 261280260 /nfs/dbraw/zinc/28/02/60/261280260.db2.gz SXHUQJPFGUPRGD-QKPAOTATSA-N 2 2 263.429 2.921 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000176500356 261291321 /nfs/dbraw/zinc/29/13/21/261291321.db2.gz YCWOFJVRBUYOBB-RDJZCZTQSA-N 2 2 256.393 2.510 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000176500356 261291323 /nfs/dbraw/zinc/29/13/23/261291323.db2.gz YCWOFJVRBUYOBB-RDJZCZTQSA-N 2 2 256.393 2.510 20 30 CFEDLP C[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000289437898 263110263 /nfs/dbraw/zinc/11/02/63/263110263.db2.gz SUQUTJSBINCGRV-HOTGVXAUSA-N 2 2 271.408 2.961 20 30 CFEDLP C[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000289437898 263110264 /nfs/dbraw/zinc/11/02/64/263110264.db2.gz SUQUTJSBINCGRV-HOTGVXAUSA-N 2 2 271.408 2.961 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC#N)c1ccc(OC)cc1 ZINC000295058505 263171412 /nfs/dbraw/zinc/17/14/12/263171412.db2.gz QXNQWTFALNDZCG-GOSISDBHSA-N 2 2 299.418 2.585 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CCC#N)c1ccc(OC)cc1 ZINC000295058505 263171413 /nfs/dbraw/zinc/17/14/13/263171413.db2.gz QXNQWTFALNDZCG-GOSISDBHSA-N 2 2 299.418 2.585 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CNCc1[nH+]cc(C)n1C)C(C)C ZINC000341095164 263321712 /nfs/dbraw/zinc/32/17/12/263321712.db2.gz RTIDDNLAZYDJMV-MRXNPFEDSA-N 2 2 290.455 2.517 20 30 CFEDLP CC[NH+](CC)CCC[C@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000399518668 266112332 /nfs/dbraw/zinc/11/23/32/266112332.db2.gz NUWUXWFYZOCDCM-ZDUSSCGKSA-N 2 2 274.412 2.606 20 30 CFEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000356921332 266211124 /nfs/dbraw/zinc/21/11/24/266211124.db2.gz PINBZJDNLHLNAV-INIZCTEOSA-N 2 2 299.418 2.695 20 30 CFEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000356921332 266211127 /nfs/dbraw/zinc/21/11/27/266211127.db2.gz PINBZJDNLHLNAV-INIZCTEOSA-N 2 2 299.418 2.695 20 30 CFEDLP C=CC[N@@H+](CC)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000368618679 267191163 /nfs/dbraw/zinc/19/11/63/267191163.db2.gz WHVLJAGANMGRGA-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP C=CC[N@H+](CC)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000368618679 267191164 /nfs/dbraw/zinc/19/11/64/267191164.db2.gz WHVLJAGANMGRGA-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP C=CC[NH+](CC)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000368618679 267191167 /nfs/dbraw/zinc/19/11/67/267191167.db2.gz WHVLJAGANMGRGA-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP C=CC[NH+](CC)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000368618679 267191169 /nfs/dbraw/zinc/19/11/69/267191169.db2.gz WHVLJAGANMGRGA-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]Cc1ccn(C)c1)C(C)C ZINC000123183241 268005846 /nfs/dbraw/zinc/00/58/46/268005846.db2.gz KYFJWPAUKHIMQH-QGZVFWFLSA-N 2 2 275.440 2.813 20 30 CFEDLP C=CCOCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000376843595 268023288 /nfs/dbraw/zinc/02/32/88/268023288.db2.gz GYHGXVLVSBHEML-DOTOQJQBSA-N 2 2 274.408 2.614 20 30 CFEDLP C=CCOCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000376843595 268023289 /nfs/dbraw/zinc/02/32/89/268023289.db2.gz GYHGXVLVSBHEML-DOTOQJQBSA-N 2 2 274.408 2.614 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000294962374 275380883 /nfs/dbraw/zinc/38/08/83/275380883.db2.gz JIXLYNMRBNCOAX-OAHLLOKOSA-N 2 2 281.403 2.841 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000294962374 275380884 /nfs/dbraw/zinc/38/08/84/275380884.db2.gz JIXLYNMRBNCOAX-OAHLLOKOSA-N 2 2 281.403 2.841 20 30 CFEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C2 ZINC000333115762 277270977 /nfs/dbraw/zinc/27/09/77/277270977.db2.gz UBLRDZWLTAGIBQ-RDBSUJKOSA-N 2 2 286.423 2.777 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CCC[N@@H+]1C ZINC000353674992 279126253 /nfs/dbraw/zinc/12/62/53/279126253.db2.gz JPTSFXUAUODGIR-CSMYWGQOSA-N 2 2 269.392 2.618 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CCC[N@H+]1C ZINC000353674992 279126256 /nfs/dbraw/zinc/12/62/56/279126256.db2.gz JPTSFXUAUODGIR-CSMYWGQOSA-N 2 2 269.392 2.618 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353380426 279335849 /nfs/dbraw/zinc/33/58/49/279335849.db2.gz BVGLDEKPTNINHG-DOTOQJQBSA-N 2 2 269.392 2.619 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353380426 279335851 /nfs/dbraw/zinc/33/58/51/279335851.db2.gz BVGLDEKPTNINHG-DOTOQJQBSA-N 2 2 269.392 2.619 20 30 CFEDLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CCC#N)c2ccccc2)n1C ZINC000414358204 328155010 /nfs/dbraw/zinc/15/50/10/328155010.db2.gz GCQAOJLJWULPLJ-INIZCTEOSA-N 2 2 297.406 2.621 20 30 CFEDLP COc1ccc([C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000583375945 327333236 /nfs/dbraw/zinc/33/32/36/327333236.db2.gz AIPLOEXMRZAQGB-UNQWWWNPSA-N 2 2 299.418 2.770 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000377619993 329021084 /nfs/dbraw/zinc/02/10/84/329021084.db2.gz DNHDHLZZZYLFNR-GOSISDBHSA-N 2 2 278.355 2.716 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000377619993 329021085 /nfs/dbraw/zinc/02/10/85/329021085.db2.gz DNHDHLZZZYLFNR-GOSISDBHSA-N 2 2 278.355 2.716 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000179122771 329205464 /nfs/dbraw/zinc/20/54/64/329205464.db2.gz PMJNWMODLKWEEJ-ZACQAIPSSA-N 2 2 290.451 2.574 20 30 CFEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000185803115 329329197 /nfs/dbraw/zinc/32/91/97/329329197.db2.gz CRZQSPRUOZFWIP-HRCADAONSA-N 2 2 263.429 2.779 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2nn(CC)c3ccccc23)CC1 ZINC000274451938 330105765 /nfs/dbraw/zinc/10/57/65/330105765.db2.gz QYZBFNGWBAHZCF-UHFFFAOYSA-N 2 2 298.434 2.796 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000422837700 330157068 /nfs/dbraw/zinc/15/70/68/330157068.db2.gz VEEVWOPJODVXGQ-KZNAEPCWSA-N 3 2 293.499 2.792 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422838400 330157236 /nfs/dbraw/zinc/15/72/36/330157236.db2.gz XDEDMJWLVURVII-KZNAEPCWSA-N 3 2 293.499 2.663 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423176914 330175021 /nfs/dbraw/zinc/17/50/21/330175021.db2.gz GNXVUKWIOGRGDU-JQHSSLGASA-N 2 2 288.435 2.530 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000527656256 330273155 /nfs/dbraw/zinc/27/31/55/330273155.db2.gz FXENRVGELZIVTN-UHFFFAOYSA-N 2 2 279.815 2.865 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000424189365 330322146 /nfs/dbraw/zinc/32/21/46/330322146.db2.gz DIXSMWOHNCCUOG-BZZMCLGOSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000424189365 330322147 /nfs/dbraw/zinc/32/21/47/330322147.db2.gz DIXSMWOHNCCUOG-BZZMCLGOSA-N 2 2 283.419 2.931 20 30 CFEDLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000447507892 330867116 /nfs/dbraw/zinc/86/71/16/330867116.db2.gz JEJMROHXOIWVIZ-BZSNNMDCSA-N 2 2 285.435 2.831 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000491309219 332187470 /nfs/dbraw/zinc/18/74/70/332187470.db2.gz XVIYTFDGJXUSKW-ZDUSSCGKSA-N 2 2 276.346 2.651 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C#N)CC1 ZINC000191973322 333227657 /nfs/dbraw/zinc/22/76/57/333227657.db2.gz LFMIQOFTSUKUPJ-UHFFFAOYSA-N 2 2 280.375 2.916 20 30 CFEDLP C=CCCCCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000193555842 333253134 /nfs/dbraw/zinc/25/31/34/333253134.db2.gz KZBBSILHNFWKHQ-UHFFFAOYSA-N 2 2 274.412 2.653 20 30 CFEDLP CC(C)C[C@H](C[NH2+]CC(C)(C)CCC#N)[NH+](C)C ZINC000135144213 334117616 /nfs/dbraw/zinc/11/76/16/334117616.db2.gz UWLAWGSTOXJZDA-CQSZACIVSA-N 2 2 253.434 2.882 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]Cc1cncc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000566428458 334648182 /nfs/dbraw/zinc/64/81/82/334648182.db2.gz GBBJTFPTLGQDJM-IRXDYDNUSA-N 2 2 299.422 2.645 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281419872 500577985 /nfs/dbraw/zinc/57/79/85/500577985.db2.gz ZYWGTVDEEPDQSF-QGZVFWFLSA-N 2 2 289.398 2.912 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000156334918 526617819 /nfs/dbraw/zinc/61/78/19/526617819.db2.gz WPHBAWOTYUQGQE-MRXNPFEDSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000156334918 526617824 /nfs/dbraw/zinc/61/78/24/526617824.db2.gz WPHBAWOTYUQGQE-MRXNPFEDSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000367472364 526618137 /nfs/dbraw/zinc/61/81/37/526618137.db2.gz JRBZWIXWXHIYPV-WQVCFCJDSA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000367472364 526618140 /nfs/dbraw/zinc/61/81/40/526618140.db2.gz JRBZWIXWXHIYPV-WQVCFCJDSA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000367472364 526618141 /nfs/dbraw/zinc/61/81/41/526618141.db2.gz JRBZWIXWXHIYPV-WQVCFCJDSA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)s1 ZINC000367472364 526618146 /nfs/dbraw/zinc/61/81/46/526618146.db2.gz JRBZWIXWXHIYPV-WQVCFCJDSA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000367472361 526619146 /nfs/dbraw/zinc/61/91/46/526619146.db2.gz JRBZWIXWXHIYPV-DAXOMENPSA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000367472361 526619152 /nfs/dbraw/zinc/61/91/52/526619152.db2.gz JRBZWIXWXHIYPV-DAXOMENPSA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000367472361 526619160 /nfs/dbraw/zinc/61/91/60/526619160.db2.gz JRBZWIXWXHIYPV-DAXOMENPSA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)s1 ZINC000367472361 526619165 /nfs/dbraw/zinc/61/91/65/526619165.db2.gz JRBZWIXWXHIYPV-DAXOMENPSA-N 2 2 287.432 2.536 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000347067968 526868158 /nfs/dbraw/zinc/86/81/58/526868158.db2.gz NFHUWVGQGRTVIO-YOEHRIQHSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cc1 ZINC000347067968 526868164 /nfs/dbraw/zinc/86/81/64/526868164.db2.gz NFHUWVGQGRTVIO-YOEHRIQHSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344356221 526891024 /nfs/dbraw/zinc/89/10/24/526891024.db2.gz MHSBCOFGAHOWRT-YOEHRIQHSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344356221 526891030 /nfs/dbraw/zinc/89/10/30/526891030.db2.gz MHSBCOFGAHOWRT-YOEHRIQHSA-N 2 2 274.408 2.824 20 30 CFEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269414101 535176016 /nfs/dbraw/zinc/17/60/16/535176016.db2.gz JVBNQXCVBFAXOJ-OAHLLOKOSA-N 2 2 289.398 2.907 20 30 CFEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269414101 535176019 /nfs/dbraw/zinc/17/60/19/535176019.db2.gz JVBNQXCVBFAXOJ-OAHLLOKOSA-N 2 2 289.398 2.907 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2csc(C#N)c2)CC[N@@H+]1C ZINC000892105588 617953590 /nfs/dbraw/zinc/95/35/90/617953590.db2.gz NVOWARNVMKUCAV-YPMHNXCESA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2csc(C#N)c2)CC[N@H+]1C ZINC000892105588 617953591 /nfs/dbraw/zinc/95/35/91/617953591.db2.gz NVOWARNVMKUCAV-YPMHNXCESA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2csc(C#N)c2)CC[NH+]1C ZINC000892105588 617953595 /nfs/dbraw/zinc/95/35/95/617953595.db2.gz NVOWARNVMKUCAV-YPMHNXCESA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)CC[NH+]1C ZINC000892105588 617953598 /nfs/dbraw/zinc/95/35/98/617953598.db2.gz NVOWARNVMKUCAV-YPMHNXCESA-N 2 2 263.410 2.534 20 30 CFEDLP C=CC[C@@H]1CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000934461777 618042748 /nfs/dbraw/zinc/04/27/48/618042748.db2.gz ZVCWZPZQPMGSHC-GOSISDBHSA-N 2 2 286.419 2.669 20 30 CFEDLP C=CC[C@@H]1CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000934461777 618042750 /nfs/dbraw/zinc/04/27/50/618042750.db2.gz ZVCWZPZQPMGSHC-GOSISDBHSA-N 2 2 286.419 2.669 20 30 CFEDLP N#C[C@@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895112784 618315354 /nfs/dbraw/zinc/31/53/54/618315354.db2.gz RXUPRIAYTNCOBZ-KLHDSHLOSA-N 2 2 284.407 2.850 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc3c2NCCC3)CC1 ZINC000894229901 619272560 /nfs/dbraw/zinc/27/25/60/619272560.db2.gz ZWMZBSJZEYNVOW-UHFFFAOYSA-N 2 2 285.435 2.785 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2c(C)noc2C)CC1 ZINC000924984159 619316965 /nfs/dbraw/zinc/31/69/65/619316965.db2.gz OIHPBNTXMPKFCB-NSHDSACASA-N 2 2 263.385 2.592 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc3c2OCO3)CC1 ZINC000924984599 619317369 /nfs/dbraw/zinc/31/73/69/619317369.db2.gz WEEQPYMCOKNWOC-ZDUSSCGKSA-N 2 2 288.391 2.716 20 30 CFEDLP C[N@H+](Cc1csc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417399 619378300 /nfs/dbraw/zinc/37/83/00/619378300.db2.gz MCCMKYZQYZEEOY-PBWFPOADSA-N 2 2 275.421 2.677 20 30 CFEDLP C[N@@H+](Cc1csc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894417399 619378302 /nfs/dbraw/zinc/37/83/02/619378302.db2.gz MCCMKYZQYZEEOY-PBWFPOADSA-N 2 2 275.421 2.677 20 30 CFEDLP C[NH+](Cc1csc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894417399 619378305 /nfs/dbraw/zinc/37/83/05/619378305.db2.gz MCCMKYZQYZEEOY-PBWFPOADSA-N 2 2 275.421 2.677 20 30 CFEDLP C[NH+](Cc1csc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894417399 619378307 /nfs/dbraw/zinc/37/83/07/619378307.db2.gz MCCMKYZQYZEEOY-PBWFPOADSA-N 2 2 275.421 2.677 20 30 CFEDLP C[C@@H](CC[NH2+][C@@H](C)c1cc(C#N)ccn1)[NH+]1CCCCC1 ZINC000902951966 621213035 /nfs/dbraw/zinc/21/30/35/621213035.db2.gz RQJRLLNIYVQXIZ-GJZGRUSLSA-N 2 2 286.423 2.868 20 30 CFEDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903455344 621387918 /nfs/dbraw/zinc/38/79/18/621387918.db2.gz UZFBTQVIMZIJKR-CYBMUJFWSA-N 2 2 265.788 2.675 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870278 621461879 /nfs/dbraw/zinc/46/18/79/621461879.db2.gz MAJYFVUMGBOUKR-QGZVFWFLSA-N 2 2 269.392 2.503 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870278 621461880 /nfs/dbraw/zinc/46/18/80/621461880.db2.gz MAJYFVUMGBOUKR-QGZVFWFLSA-N 2 2 269.392 2.503 20 30 CFEDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1csc(C#N)c1 ZINC000921496674 624947814 /nfs/dbraw/zinc/94/78/14/624947814.db2.gz YGFXNLYTDVYQGX-ZDUSSCGKSA-N 2 2 277.437 2.974 20 30 CFEDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1csc(C#N)c1 ZINC000921496674 624947817 /nfs/dbraw/zinc/94/78/17/624947817.db2.gz YGFXNLYTDVYQGX-ZDUSSCGKSA-N 2 2 277.437 2.974 20 30 CFEDLP C#CCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766231928 627186774 /nfs/dbraw/zinc/18/67/74/627186774.db2.gz BODSQARAJGRNDG-UHFFFAOYSA-N 2 2 285.435 2.724 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000768517858 627348486 /nfs/dbraw/zinc/34/84/86/627348486.db2.gz PEKZOYAXWIPEJJ-FUHWJXTLSA-N 2 2 270.420 2.900 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000768517858 627348489 /nfs/dbraw/zinc/34/84/89/627348489.db2.gz PEKZOYAXWIPEJJ-FUHWJXTLSA-N 2 2 270.420 2.900 20 30 CFEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1cc(F)cc(F)c1 ZINC000776181649 628112694 /nfs/dbraw/zinc/11/26/94/628112694.db2.gz YFRYHGROLZCVEL-UHFFFAOYSA-N 2 2 276.290 2.872 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000817586048 632671637 /nfs/dbraw/zinc/67/16/37/632671637.db2.gz SJCUFXCNVWVZTB-ZDUSSCGKSA-N 2 2 294.826 2.954 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000817586048 632671639 /nfs/dbraw/zinc/67/16/39/632671639.db2.gz SJCUFXCNVWVZTB-ZDUSSCGKSA-N 2 2 294.826 2.954 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000819022430 632932071 /nfs/dbraw/zinc/93/20/71/632932071.db2.gz NGYGINLJFOOFSP-INIZCTEOSA-N 2 2 294.826 2.613 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000819022437 632932183 /nfs/dbraw/zinc/93/21/83/632932183.db2.gz NRBQTKVORVIRSW-INIZCTEOSA-N 2 2 294.826 2.613 20 30 CFEDLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866225223 638773770 /nfs/dbraw/zinc/77/37/70/638773770.db2.gz RJUPPLNAXSUPRH-ZDUSSCGKSA-N 2 2 275.396 2.645 20 30 CFEDLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866225223 638773771 /nfs/dbraw/zinc/77/37/71/638773771.db2.gz RJUPPLNAXSUPRH-ZDUSSCGKSA-N 2 2 275.396 2.645 20 30 CFEDLP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866261186 638783082 /nfs/dbraw/zinc/78/30/82/638783082.db2.gz QUTVYOPCOVEQCC-ZDUSSCGKSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230010 642082270 /nfs/dbraw/zinc/08/22/70/642082270.db2.gz KTZKZCGTBKWSQY-DLBZAZTESA-N 2 2 272.392 2.626 20 30 CFEDLP CC1(C)CC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)[NH2+]C1 ZINC000873234323 642088229 /nfs/dbraw/zinc/08/82/29/642088229.db2.gz DTJVIGUWHIGFEJ-WBVHZDCISA-N 2 2 283.419 2.913 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000876991405 643096271 /nfs/dbraw/zinc/09/62/71/643096271.db2.gz XHZOYNNYCDYKPQ-CQSZACIVSA-N 2 2 268.364 2.902 20 30 CFEDLP CC1([NH+]2CCC2)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000880470005 644726125 /nfs/dbraw/zinc/72/61/25/644726125.db2.gz FZQGJQLTHMAQLJ-UHFFFAOYSA-N 2 2 269.392 2.618 20 30 CFEDLP C=CCC[C@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880572268 644770765 /nfs/dbraw/zinc/77/07/65/644770765.db2.gz ZMVAGNVJTSLYCK-DLBZAZTESA-N 2 2 285.391 2.541 20 30 CFEDLP C=C/C=C/CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000882981135 645539336 /nfs/dbraw/zinc/53/93/36/645539336.db2.gz CNXYQZLREWEOOI-AATRIKPKSA-N 2 2 273.380 2.517 20 30 CFEDLP CC(=[NH+]NCC[NH+]1CCCCC1)c1c(C)cc(N)cc1C ZINC000884418221 646347675 /nfs/dbraw/zinc/34/76/75/646347675.db2.gz BOQOBOLFJZOFHR-UHFFFAOYSA-N 2 2 288.439 2.685 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925547706 648211573 /nfs/dbraw/zinc/21/15/73/648211573.db2.gz COCFUXGBYHVDAT-GOSISDBHSA-N 3 2 287.451 2.707 20 30 CFEDLP N#Cc1ccc(C2([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CCC2)cc1 ZINC000925711976 648291508 /nfs/dbraw/zinc/29/15/08/648291508.db2.gz GRFWUUSEODACEF-GCDKYVQMSA-N 2 2 293.414 2.523 20 30 CFEDLP CC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000925838170 648339469 /nfs/dbraw/zinc/33/94/69/648339469.db2.gz KEJJXXFAIUJULZ-DLBZAZTESA-N 2 2 271.408 2.877 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926344103 648468339 /nfs/dbraw/zinc/46/83/39/648468339.db2.gz URZGCYWLZSTIFV-VQHPVUNQSA-N 2 2 278.440 2.574 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926344103 648468340 /nfs/dbraw/zinc/46/83/40/648468340.db2.gz URZGCYWLZSTIFV-VQHPVUNQSA-N 2 2 278.440 2.574 20 30 CFEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000926812384 648625259 /nfs/dbraw/zinc/62/52/59/648625259.db2.gz MMSMKDIUYOTUST-QYZOEREBSA-N 2 2 295.430 2.632 20 30 CFEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000926812384 648625260 /nfs/dbraw/zinc/62/52/60/648625260.db2.gz MMSMKDIUYOTUST-QYZOEREBSA-N 2 2 295.430 2.632 20 30 CFEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000926812381 648625442 /nfs/dbraw/zinc/62/54/42/648625442.db2.gz MMSMKDIUYOTUST-GUDVDZBRSA-N 2 2 295.430 2.632 20 30 CFEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000926812381 648625446 /nfs/dbraw/zinc/62/54/46/648625446.db2.gz MMSMKDIUYOTUST-GUDVDZBRSA-N 2 2 295.430 2.632 20 30 CFEDLP N#CC1(CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)CCCCC1 ZINC000931515407 649445277 /nfs/dbraw/zinc/44/52/77/649445277.db2.gz DJVFDQLTRONUKX-UHFFFAOYSA-N 2 2 284.407 2.886 20 30 CFEDLP N#CC1(CC[N@H+]2CCc3[nH+]ccc(N)c3C2)CCCCC1 ZINC000931515407 649445280 /nfs/dbraw/zinc/44/52/80/649445280.db2.gz DJVFDQLTRONUKX-UHFFFAOYSA-N 2 2 284.407 2.886 20 30 CFEDLP C[NH+]1CCC([N@H+](Cc2cccc(C#N)n2)C2CCCC2)CC1 ZINC001232927132 777724254 /nfs/dbraw/zinc/72/42/54/777724254.db2.gz SEGVGUMOWQRSCW-UHFFFAOYSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC([N@@H+](Cc2cccc(C#N)n2)C2CCCC2)CC1 ZINC001232927132 777724260 /nfs/dbraw/zinc/72/42/60/777724260.db2.gz SEGVGUMOWQRSCW-UHFFFAOYSA-N 2 2 298.434 2.792 20 30 CFEDLP N#Cc1cccc(CCC[N@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235120412 778389773 /nfs/dbraw/zinc/38/97/73/778389773.db2.gz AVAXJMGHIYQCSZ-SFHVURJKSA-N 2 2 283.419 2.709 20 30 CFEDLP N#Cc1cccc(CCC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)c1 ZINC001235120412 778389767 /nfs/dbraw/zinc/38/97/67/778389767.db2.gz AVAXJMGHIYQCSZ-SFHVURJKSA-N 2 2 283.419 2.709 20 30 CFEDLP CCCCCCCCCCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001235959115 778628009 /nfs/dbraw/zinc/62/80/09/778628009.db2.gz TYALIVJDRDKNEO-LSDHHAIUSA-N 2 2 256.434 2.521 20 30 CFEDLP CCCCCCCCCCC[N@@H+]1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001235959115 778628012 /nfs/dbraw/zinc/62/80/12/778628012.db2.gz TYALIVJDRDKNEO-LSDHHAIUSA-N 2 2 256.434 2.521 20 30 CFEDLP C=CCc1cccc(C[N@@H+](CCC)[C@H]2CC[NH2+]C2)c1O ZINC001236323186 778780414 /nfs/dbraw/zinc/78/04/14/778780414.db2.gz GCZNZTFLRGZOKC-INIZCTEOSA-N 2 2 274.408 2.695 20 30 CFEDLP C=CCc1cccc(C[N@H+](CCC)[C@H]2CC[NH2+]C2)c1O ZINC001236323186 778780421 /nfs/dbraw/zinc/78/04/21/778780421.db2.gz GCZNZTFLRGZOKC-INIZCTEOSA-N 2 2 274.408 2.695 20 30 CFEDLP CC[N@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237756203 779175506 /nfs/dbraw/zinc/17/55/06/779175506.db2.gz XESYCOOGOQBNEF-UHFFFAOYSA-N 2 2 279.815 2.985 20 30 CFEDLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237756203 779175513 /nfs/dbraw/zinc/17/55/13/779175513.db2.gz XESYCOOGOQBNEF-UHFFFAOYSA-N 2 2 279.815 2.985 20 30 CFEDLP CCc1cc(C[N@H+](CC)CCn2cc[nH+]c2)ccc1C#N ZINC001238767303 779385229 /nfs/dbraw/zinc/38/52/29/779385229.db2.gz AECVMUMHBYSTQW-UHFFFAOYSA-N 2 2 282.391 2.839 20 30 CFEDLP CCc1cc(C[N@@H+](CC)CCn2cc[nH+]c2)ccc1C#N ZINC001238767303 779385233 /nfs/dbraw/zinc/38/52/33/779385233.db2.gz AECVMUMHBYSTQW-UHFFFAOYSA-N 2 2 282.391 2.839 20 30 CFEDLP N#Cc1cc(-c2ccc3[nH+]ccn3c2)cc(C2C[NH2+]C2)c1 ZINC001240351709 780103490 /nfs/dbraw/zinc/10/34/90/780103490.db2.gz WXFXASSSTHYDDS-UHFFFAOYSA-N 2 2 274.327 2.560 20 30 CFEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709979827 781324422 /nfs/dbraw/zinc/32/44/22/781324422.db2.gz JJODXQGUICGKFX-KBPBESRZSA-N 2 2 253.434 2.881 20 30 CFEDLP C[NH+](C)C1CC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594507305 349434116 /nfs/dbraw/zinc/43/41/16/349434116.db2.gz CTKWRHVQTFBLEM-UHFFFAOYSA-N 2 2 271.408 2.670 20 30 CFEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097192 349581479 /nfs/dbraw/zinc/58/14/79/349581479.db2.gz RWXCCUOIMRIOMM-NVXWUHKLSA-N 2 2 269.392 2.619 20 30 CFEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097192 349581481 /nfs/dbraw/zinc/58/14/81/349581481.db2.gz RWXCCUOIMRIOMM-NVXWUHKLSA-N 2 2 269.392 2.619 20 30 CFEDLP C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000595385915 349613425 /nfs/dbraw/zinc/61/34/25/349613425.db2.gz AVQFWURWGGYRIQ-QAPCUYQASA-N 2 2 294.402 2.880 20 30 CFEDLP C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000595385915 349613429 /nfs/dbraw/zinc/61/34/29/349613429.db2.gz AVQFWURWGGYRIQ-QAPCUYQASA-N 2 2 294.402 2.880 20 30 CFEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(C#N)ccc1F)C2 ZINC000595508213 349645533 /nfs/dbraw/zinc/64/55/33/349645533.db2.gz VSYMQWCVYLLBRE-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc(C#N)ccc1F)C2 ZINC000595508213 349645535 /nfs/dbraw/zinc/64/55/35/349645535.db2.gz VSYMQWCVYLLBRE-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000595508213 349645537 /nfs/dbraw/zinc/64/55/37/349645537.db2.gz VSYMQWCVYLLBRE-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000595508213 349645538 /nfs/dbraw/zinc/64/55/38/349645538.db2.gz VSYMQWCVYLLBRE-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP N#CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000595614438 349677740 /nfs/dbraw/zinc/67/77/40/349677740.db2.gz HZBKVXYXTLEJLT-HNNXBMFYSA-N 2 2 280.375 2.998 20 30 CFEDLP N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000595614438 349677744 /nfs/dbraw/zinc/67/77/44/349677744.db2.gz HZBKVXYXTLEJLT-HNNXBMFYSA-N 2 2 280.375 2.998 20 30 CFEDLP N#CC[C@H]1CCC[N@H+](CCC[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620741 349679682 /nfs/dbraw/zinc/67/96/82/349679682.db2.gz PQOIFUHPINLCTN-CALCHBBNSA-N 2 2 288.439 2.628 20 30 CFEDLP N#CC[C@H]1CCC[N@@H+](CCC[NH+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620741 349679684 /nfs/dbraw/zinc/67/96/84/349679684.db2.gz PQOIFUHPINLCTN-CALCHBBNSA-N 2 2 288.439 2.628 20 30 CFEDLP N#CC[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620741 349679687 /nfs/dbraw/zinc/67/96/87/349679687.db2.gz PQOIFUHPINLCTN-CALCHBBNSA-N 2 2 288.439 2.628 20 30 CFEDLP N#CC[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620741 349679689 /nfs/dbraw/zinc/67/96/89/349679689.db2.gz PQOIFUHPINLCTN-CALCHBBNSA-N 2 2 288.439 2.628 20 30 CFEDLP N#CC[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620743 349679764 /nfs/dbraw/zinc/67/97/64/349679764.db2.gz PQOIFUHPINLCTN-IRXDYDNUSA-N 2 2 288.439 2.628 20 30 CFEDLP N#CC[C@@H]1CCC[NH+](CCC[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620743 349679767 /nfs/dbraw/zinc/67/97/67/349679767.db2.gz PQOIFUHPINLCTN-IRXDYDNUSA-N 2 2 288.439 2.628 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000295098912 199343601 /nfs/dbraw/zinc/34/36/01/199343601.db2.gz VSPSXHIYWRVSFI-INIZCTEOSA-N 2 2 294.826 2.572 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000295098912 199343603 /nfs/dbraw/zinc/34/36/03/199343603.db2.gz VSPSXHIYWRVSFI-INIZCTEOSA-N 2 2 294.826 2.572 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(COC)o2)CC1 ZINC000127564673 187315554 /nfs/dbraw/zinc/31/55/54/187315554.db2.gz LDAZROSSCOULCH-UHFFFAOYSA-N 2 2 278.396 2.556 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000596649372 349967786 /nfs/dbraw/zinc/96/77/86/349967786.db2.gz ZLGZDQNJAPGCQI-BZZMCLGOSA-N 2 2 283.419 2.804 20 30 CFEDLP N#Cc1csc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073684 347609304 /nfs/dbraw/zinc/60/93/04/347609304.db2.gz SXEPETUMHULLQO-GFCCVEGCSA-N 2 2 272.377 2.722 20 30 CFEDLP N#Cc1csc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073684 347609308 /nfs/dbraw/zinc/60/93/08/347609308.db2.gz SXEPETUMHULLQO-GFCCVEGCSA-N 2 2 272.377 2.722 20 30 CFEDLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)Cc2ccccc2C1 ZINC000361432479 348507130 /nfs/dbraw/zinc/50/71/30/348507130.db2.gz OTWPJMSEHVFFRY-MAUKXSAKSA-N 2 2 297.446 2.758 20 30 CFEDLP C=C(CC)C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000584586454 348680312 /nfs/dbraw/zinc/68/03/12/348680312.db2.gz ZRUZIPAPDLZQNE-OAHLLOKOSA-N 2 2 287.407 2.570 20 30 CFEDLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593722648 349314809 /nfs/dbraw/zinc/31/48/09/349314809.db2.gz YAHOSOGPPHVFOK-CQSZACIVSA-N 2 2 271.408 2.911 20 30 CFEDLP Cc1ccc(CCC[N@H+]2CCC[C@@H](CC#N)C2)c[nH+]1 ZINC000597178488 350045284 /nfs/dbraw/zinc/04/52/84/350045284.db2.gz YKSRWSPDKSHBNW-INIZCTEOSA-N 2 2 257.381 2.948 20 30 CFEDLP C[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)CC1(C)C ZINC000598988734 350354737 /nfs/dbraw/zinc/35/47/37/350354737.db2.gz RZVVIBHJZUBBCZ-AWEZNQCLSA-N 2 2 263.429 2.923 20 30 CFEDLP C[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)CC1(C)C ZINC000598988734 350354739 /nfs/dbraw/zinc/35/47/39/350354739.db2.gz RZVVIBHJZUBBCZ-AWEZNQCLSA-N 2 2 263.429 2.923 20 30 CFEDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000598994470 350356148 /nfs/dbraw/zinc/35/61/48/350356148.db2.gz NWKSHQALKWMLGO-CQSZACIVSA-N 2 2 275.371 2.519 20 30 CFEDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000598994470 350356152 /nfs/dbraw/zinc/35/61/52/350356152.db2.gz NWKSHQALKWMLGO-CQSZACIVSA-N 2 2 275.371 2.519 20 30 CFEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599318175 350413904 /nfs/dbraw/zinc/41/39/04/350413904.db2.gz VVMLYUYXVYZPME-MRXNPFEDSA-N 2 2 271.408 2.640 20 30 CFEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599318175 350413907 /nfs/dbraw/zinc/41/39/07/350413907.db2.gz VVMLYUYXVYZPME-MRXNPFEDSA-N 2 2 271.408 2.640 20 30 CFEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599318175 350413908 /nfs/dbraw/zinc/41/39/08/350413908.db2.gz VVMLYUYXVYZPME-MRXNPFEDSA-N 2 2 271.408 2.640 20 30 CFEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599318175 350413911 /nfs/dbraw/zinc/41/39/11/350413911.db2.gz VVMLYUYXVYZPME-MRXNPFEDSA-N 2 2 271.408 2.640 20 30 CFEDLP Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1C#N ZINC000599345350 350419848 /nfs/dbraw/zinc/41/98/48/350419848.db2.gz OUDVGFWZELFUPQ-UHFFFAOYSA-N 2 2 283.419 2.927 20 30 CFEDLP Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1C#N ZINC000599345350 350419849 /nfs/dbraw/zinc/41/98/49/350419849.db2.gz OUDVGFWZELFUPQ-UHFFFAOYSA-N 2 2 283.419 2.927 20 30 CFEDLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[NH2+]1 ZINC000600708845 350599346 /nfs/dbraw/zinc/59/93/46/350599346.db2.gz HOQAPXCTFKAXPV-PVUWLOKVSA-N 2 2 269.392 2.666 20 30 CFEDLP N#Cc1cc(F)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796283 186273092 /nfs/dbraw/zinc/27/30/92/186273092.db2.gz RGTYGAVDGGBPMK-UHFFFAOYSA-N 2 2 284.338 2.731 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000602515904 350911997 /nfs/dbraw/zinc/91/19/97/350911997.db2.gz SXYRSOXWMTWEOH-AWEZNQCLSA-N 2 2 272.396 2.580 20 30 CFEDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(F)c2C#N)C1 ZINC000602666736 350967322 /nfs/dbraw/zinc/96/73/22/350967322.db2.gz OOFALHFTTKTZIA-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(F)c2C#N)C1 ZINC000602666736 350967326 /nfs/dbraw/zinc/96/73/26/350967326.db2.gz OOFALHFTTKTZIA-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cccc(F)c2C#N)C1 ZINC000602666736 350967329 /nfs/dbraw/zinc/96/73/29/350967329.db2.gz OOFALHFTTKTZIA-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cccc(F)c2C#N)C1 ZINC000602666736 350967333 /nfs/dbraw/zinc/96/73/33/350967333.db2.gz OOFALHFTTKTZIA-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[C@H](CCC#N)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000602698824 350985969 /nfs/dbraw/zinc/98/59/69/350985969.db2.gz ZKQKTWDZFUGULK-CQSZACIVSA-N 2 2 251.418 2.732 20 30 CFEDLP C[C@H](CCC#N)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000602698824 350985971 /nfs/dbraw/zinc/98/59/71/350985971.db2.gz ZKQKTWDZFUGULK-CQSZACIVSA-N 2 2 251.418 2.732 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000602722197 351000645 /nfs/dbraw/zinc/00/06/45/351000645.db2.gz YRFZRHSLJJSIAY-GDBMZVCRSA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000602722197 351000649 /nfs/dbraw/zinc/00/06/49/351000649.db2.gz YRFZRHSLJJSIAY-GDBMZVCRSA-N 2 2 263.429 2.923 20 30 CFEDLP N#CC1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000602631795 350953526 /nfs/dbraw/zinc/95/35/26/350953526.db2.gz HLIVUHJQLROAOO-XUJLQICISA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC1CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000602631795 350953530 /nfs/dbraw/zinc/95/35/30/350953530.db2.gz HLIVUHJQLROAOO-XUJLQICISA-N 2 2 261.413 2.675 20 30 CFEDLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602636092 350955400 /nfs/dbraw/zinc/95/54/00/350955400.db2.gz FVAJXWQPNWWQPP-UHFFFAOYSA-N 2 2 263.429 2.780 20 30 CFEDLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602636092 350955404 /nfs/dbraw/zinc/95/54/04/350955404.db2.gz FVAJXWQPNWWQPP-UHFFFAOYSA-N 2 2 263.429 2.780 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000614637274 352108467 /nfs/dbraw/zinc/10/84/67/352108467.db2.gz AAZIDTFQFAZHSQ-RDJZCZTQSA-N 2 2 292.386 2.737 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnccc2C)CC1 ZINC000271575493 191222085 /nfs/dbraw/zinc/22/20/85/191222085.db2.gz QLGYTRVYUPQMCU-CQSZACIVSA-N 2 2 259.397 2.691 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000618565393 352810340 /nfs/dbraw/zinc/81/03/40/352810340.db2.gz WCWDMEYCEQIOKK-HZPDHXFCSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000618565393 352810344 /nfs/dbraw/zinc/81/03/44/352810344.db2.gz WCWDMEYCEQIOKK-HZPDHXFCSA-N 2 2 257.381 2.693 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(C#N)c3)CC[C@@H]21 ZINC000158623458 188386078 /nfs/dbraw/zinc/38/60/78/188386078.db2.gz ATPNPHASHYYZFN-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(C#N)c3)CC[C@@H]21 ZINC000158623458 188386079 /nfs/dbraw/zinc/38/60/79/188386079.db2.gz ATPNPHASHYYZFN-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)CC[C@@H]21 ZINC000158623458 188386082 /nfs/dbraw/zinc/38/60/82/188386082.db2.gz ATPNPHASHYYZFN-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CC[C@@H]21 ZINC000158623458 188386084 /nfs/dbraw/zinc/38/60/84/188386084.db2.gz ATPNPHASHYYZFN-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631064864 355272389 /nfs/dbraw/zinc/27/23/89/355272389.db2.gz OYLVYHZACJYEFB-UHFFFAOYSA-N 2 2 281.350 2.759 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000294546894 199081006 /nfs/dbraw/zinc/08/10/06/199081006.db2.gz AXGKYKGUVPHMLC-LBPRGKRZSA-N 2 2 280.799 2.651 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000294546894 199081008 /nfs/dbraw/zinc/08/10/08/199081008.db2.gz AXGKYKGUVPHMLC-LBPRGKRZSA-N 2 2 280.799 2.651 20 30 CFEDLP CC1CC[NH+](CCC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000298071862 200327821 /nfs/dbraw/zinc/32/78/21/200327821.db2.gz DOURDJKRVUNPBZ-UHFFFAOYSA-N 2 2 289.398 2.909 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000177906529 189078127 /nfs/dbraw/zinc/07/81/27/189078127.db2.gz ORNSYLKAGHQSSY-QGZVFWFLSA-N 2 2 256.393 2.914 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1C#N ZINC000443998552 241105520 /nfs/dbraw/zinc/10/55/20/241105520.db2.gz VFLLBMHWSIUEMF-CJNGLKHVSA-N 2 2 269.392 2.582 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1C#N ZINC000443998552 241105529 /nfs/dbraw/zinc/10/55/29/241105529.db2.gz VFLLBMHWSIUEMF-CJNGLKHVSA-N 2 2 269.392 2.582 20 30 CFEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(C#N)cs1)CCC2 ZINC000331626303 204024222 /nfs/dbraw/zinc/02/42/22/204024222.db2.gz SQFBRISMTIHEFR-ZDUSSCGKSA-N 2 2 286.404 2.792 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)CC[N@@H+]1C ZINC000123535708 220212344 /nfs/dbraw/zinc/21/23/44/220212344.db2.gz GXEKYWVGXBZBNL-LRDDRELGSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)CC[N@H+]1C ZINC000123535708 220212350 /nfs/dbraw/zinc/21/23/50/220212350.db2.gz GXEKYWVGXBZBNL-LRDDRELGSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)CC[NH+]1C ZINC000123535708 220212354 /nfs/dbraw/zinc/21/23/54/220212354.db2.gz GXEKYWVGXBZBNL-LRDDRELGSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)CC[NH+]1C ZINC000123535708 220212361 /nfs/dbraw/zinc/21/23/61/220212361.db2.gz GXEKYWVGXBZBNL-LRDDRELGSA-N 2 2 275.371 2.612 20 30 CFEDLP CCc1ccc([C@@H](CNC(=[NH2+])N(CC)CC)[NH+](C)C)cc1 ZINC000264106048 383697200 /nfs/dbraw/zinc/69/72/00/383697200.db2.gz NQYVXHMLZKZKQU-MRXNPFEDSA-N 2 2 290.455 2.508 20 30 CFEDLP CCN(CC)C(=[NH2+])NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000264118718 383697952 /nfs/dbraw/zinc/69/79/52/383697952.db2.gz UHDYRTWBSVUGND-CQSZACIVSA-N 2 2 296.484 2.788 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563819 375267540 /nfs/dbraw/zinc/26/75/40/375267540.db2.gz FARLAZVRACKLMC-AWEZNQCLSA-N 2 2 273.380 2.602 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)o1 ZINC000093563819 375267543 /nfs/dbraw/zinc/26/75/43/375267543.db2.gz FARLAZVRACKLMC-AWEZNQCLSA-N 2 2 273.380 2.602 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC000121449368 376834106 /nfs/dbraw/zinc/83/41/06/376834106.db2.gz XXRHHRDHSPPSFO-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC000121449368 376834109 /nfs/dbraw/zinc/83/41/09/376834109.db2.gz XXRHHRDHSPPSFO-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1C ZINC000121449368 376834115 /nfs/dbraw/zinc/83/41/15/376834115.db2.gz XXRHHRDHSPPSFO-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1C ZINC000121449368 376834120 /nfs/dbraw/zinc/83/41/20/376834120.db2.gz XXRHHRDHSPPSFO-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000129926122 377490171 /nfs/dbraw/zinc/49/01/71/377490171.db2.gz UJVWRENRMSSSIT-ZDUSSCGKSA-N 2 2 275.421 2.537 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)s1 ZINC000129926122 377490177 /nfs/dbraw/zinc/49/01/77/377490177.db2.gz UJVWRENRMSSSIT-ZDUSSCGKSA-N 2 2 275.421 2.537 20 30 CFEDLP C=C(C)COCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000134502195 378023909 /nfs/dbraw/zinc/02/39/09/378023909.db2.gz URCHOIOICRUOCQ-AEFFLSMTSA-N 2 2 288.435 2.689 20 30 CFEDLP C=C(C)COCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000134502195 378023916 /nfs/dbraw/zinc/02/39/16/378023916.db2.gz URCHOIOICRUOCQ-AEFFLSMTSA-N 2 2 288.435 2.689 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC000157167261 378651026 /nfs/dbraw/zinc/65/10/26/378651026.db2.gz VOXALUCRIQRMPZ-AEFFLSMTSA-N 2 2 286.394 2.593 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC000157167261 378651033 /nfs/dbraw/zinc/65/10/33/378651033.db2.gz VOXALUCRIQRMPZ-AEFFLSMTSA-N 2 2 286.394 2.593 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC000157167261 378651036 /nfs/dbraw/zinc/65/10/36/378651036.db2.gz VOXALUCRIQRMPZ-AEFFLSMTSA-N 2 2 286.394 2.593 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC000157167261 378651039 /nfs/dbraw/zinc/65/10/39/378651039.db2.gz VOXALUCRIQRMPZ-AEFFLSMTSA-N 2 2 286.394 2.593 20 30 CFEDLP C#Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000278953885 194227788 /nfs/dbraw/zinc/22/77/88/194227788.db2.gz NIBNWOYRMPFVIC-UHFFFAOYSA-N 2 2 265.360 2.702 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[N@@H+]1C1CC1 ZINC000334735795 379848718 /nfs/dbraw/zinc/84/87/18/379848718.db2.gz PUQTYKADXWAFSW-ILTLLKDXSA-N 2 2 261.413 2.674 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[N@H+]1C1CC1 ZINC000334735795 379848731 /nfs/dbraw/zinc/84/87/31/379848731.db2.gz PUQTYKADXWAFSW-ILTLLKDXSA-N 2 2 261.413 2.674 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)o1 ZINC000174308617 379862164 /nfs/dbraw/zinc/86/21/64/379862164.db2.gz AHJTUXQPYSLLNX-UHFFFAOYSA-N 2 2 280.331 2.750 20 30 CFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000336375555 380333891 /nfs/dbraw/zinc/33/38/91/380333891.db2.gz XHEUBVMHTFOEPD-GOSISDBHSA-N 2 2 286.394 2.595 20 30 CFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000336375555 380333896 /nfs/dbraw/zinc/33/38/96/380333896.db2.gz XHEUBVMHTFOEPD-GOSISDBHSA-N 2 2 286.394 2.595 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000336375555 380333903 /nfs/dbraw/zinc/33/39/03/380333903.db2.gz XHEUBVMHTFOEPD-GOSISDBHSA-N 2 2 286.394 2.595 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC#Cc3ccc(F)cc3)C2)C1 ZINC000336375555 380333907 /nfs/dbraw/zinc/33/39/07/380333907.db2.gz XHEUBVMHTFOEPD-GOSISDBHSA-N 2 2 286.394 2.595 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000180633370 380685194 /nfs/dbraw/zinc/68/51/94/380685194.db2.gz CCCUVWWBCLKFDE-UHFFFAOYSA-N 2 2 278.371 2.661 20 30 CFEDLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000341278979 380897068 /nfs/dbraw/zinc/89/70/68/380897068.db2.gz VGBCKYMEKHYGIQ-UHFFFAOYSA-N 2 2 292.386 2.584 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368099214 380921678 /nfs/dbraw/zinc/92/16/78/380921678.db2.gz DZHSVQOXIGDCLZ-UKRRQHHQSA-N 2 2 295.386 2.630 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368099214 380921682 /nfs/dbraw/zinc/92/16/82/380921682.db2.gz DZHSVQOXIGDCLZ-UKRRQHHQSA-N 2 2 295.386 2.630 20 30 CFEDLP C=CC[C@@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368409853 381016912 /nfs/dbraw/zinc/01/69/12/381016912.db2.gz HSTMRTXEHQBNTM-DLBZAZTESA-N 2 2 288.435 2.566 20 30 CFEDLP C=CC[C@@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368409853 381016916 /nfs/dbraw/zinc/01/69/16/381016916.db2.gz HSTMRTXEHQBNTM-DLBZAZTESA-N 2 2 288.435 2.566 20 30 CFEDLP C=CCCOCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000358822684 381106562 /nfs/dbraw/zinc/10/65/62/381106562.db2.gz ITSZEJULKWTHKN-UHFFFAOYSA-N 2 2 294.361 2.586 20 30 CFEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC#N)cc1 ZINC000348367853 381536454 /nfs/dbraw/zinc/53/64/54/381536454.db2.gz FUTHGMTUVBYFTR-LBPRGKRZSA-N 2 2 254.337 2.745 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000359864659 381647758 /nfs/dbraw/zinc/64/77/58/381647758.db2.gz BMNGVKOHQNXPCE-YQQAZPJKSA-N 2 2 256.393 2.508 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000359864659 381647761 /nfs/dbraw/zinc/64/77/61/381647761.db2.gz BMNGVKOHQNXPCE-YQQAZPJKSA-N 2 2 256.393 2.508 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000359866992 381648619 /nfs/dbraw/zinc/64/86/19/381648619.db2.gz GSCBJDUNWRENIU-ZOBUZTSGSA-N 2 2 256.393 2.823 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000359866992 381648621 /nfs/dbraw/zinc/64/86/21/381648621.db2.gz GSCBJDUNWRENIU-ZOBUZTSGSA-N 2 2 256.393 2.823 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000185523646 381656802 /nfs/dbraw/zinc/65/68/02/381656802.db2.gz YNYIZZLLOAPRAZ-UHFFFAOYSA-N 2 2 278.371 2.661 20 30 CFEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC#N ZINC000298554748 381671513 /nfs/dbraw/zinc/67/15/13/381671513.db2.gz OPWDQINEHMTUEQ-MRXNPFEDSA-N 2 2 271.408 2.790 20 30 CFEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC#N ZINC000298554748 381671519 /nfs/dbraw/zinc/67/15/19/381671519.db2.gz OPWDQINEHMTUEQ-MRXNPFEDSA-N 2 2 271.408 2.790 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000361705088 381857130 /nfs/dbraw/zinc/85/71/30/381857130.db2.gz IVYYTLYNPINVNM-CYBMUJFWSA-N 2 2 268.364 2.772 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000361705088 381857136 /nfs/dbraw/zinc/85/71/36/381857136.db2.gz IVYYTLYNPINVNM-CYBMUJFWSA-N 2 2 268.364 2.772 20 30 CFEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1C#N ZINC000187368638 382165255 /nfs/dbraw/zinc/16/52/55/382165255.db2.gz JBAPAQFBGPGKGX-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1C#N ZINC000187368638 382165261 /nfs/dbraw/zinc/16/52/61/382165261.db2.gz JBAPAQFBGPGKGX-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000352358820 382288746 /nfs/dbraw/zinc/28/87/46/382288746.db2.gz YMKMKOWCGVPFFR-UHFFFAOYSA-N 2 2 271.364 2.537 20 30 CFEDLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000364300898 382302229 /nfs/dbraw/zinc/30/22/29/382302229.db2.gz MQMRMUVGXSCNNU-CRAIPNDOSA-N 2 2 295.386 2.934 20 30 CFEDLP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000364300898 382302236 /nfs/dbraw/zinc/30/22/36/382302236.db2.gz MQMRMUVGXSCNNU-CRAIPNDOSA-N 2 2 295.386 2.934 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@H]1CCCO1)C(C)C ZINC000346448119 382366564 /nfs/dbraw/zinc/36/65/64/382366564.db2.gz BESBEHPDRDHMGB-BRWVUGGUSA-N 2 2 280.456 2.842 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([NH+](C)C)CC1 ZINC000189030026 382528894 /nfs/dbraw/zinc/52/88/94/382528894.db2.gz NUKFVVJJKDOMOK-ZDUSSCGKSA-N 2 2 257.381 2.645 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000320647572 382539028 /nfs/dbraw/zinc/53/90/28/382539028.db2.gz OKBHIXBFVHBBJX-ZWKOTPCHSA-N 2 2 288.435 2.568 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000320647572 382539036 /nfs/dbraw/zinc/53/90/36/382539036.db2.gz OKBHIXBFVHBBJX-ZWKOTPCHSA-N 2 2 288.435 2.568 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCCC[C@H]2CO1)C1CC1 ZINC000367390981 382567666 /nfs/dbraw/zinc/56/76/66/382567666.db2.gz WPHJCAIQLQQRNN-ULQDDVLXSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCCC[C@H]2CO1)C1CC1 ZINC000367390981 382567672 /nfs/dbraw/zinc/56/76/72/382567672.db2.gz WPHJCAIQLQQRNN-ULQDDVLXSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000193345305 382719015 /nfs/dbraw/zinc/71/90/15/382719015.db2.gz JFXGSMXFVGKTMK-QGZVFWFLSA-N 2 2 280.456 2.777 20 30 CFEDLP C=CCCCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000193345305 382719016 /nfs/dbraw/zinc/71/90/16/382719016.db2.gz JFXGSMXFVGKTMK-QGZVFWFLSA-N 2 2 280.456 2.777 20 30 CFEDLP CC(C)[NH+]1CCC([N@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC000446837989 382992402 /nfs/dbraw/zinc/99/24/02/382992402.db2.gz CUCLUVVGPWEEDJ-UHFFFAOYSA-N 2 2 288.410 2.982 20 30 CFEDLP CC(C)[NH+]1CCC([N@@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC000446837989 382992407 /nfs/dbraw/zinc/99/24/07/382992407.db2.gz CUCLUVVGPWEEDJ-UHFFFAOYSA-N 2 2 288.410 2.982 20 30 CFEDLP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000619674428 383146625 /nfs/dbraw/zinc/14/66/25/383146625.db2.gz MQXPPYOVTSQPBF-INIZCTEOSA-N 2 2 296.374 2.600 20 30 CFEDLP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000619674428 383146630 /nfs/dbraw/zinc/14/66/30/383146630.db2.gz MQXPPYOVTSQPBF-INIZCTEOSA-N 2 2 296.374 2.600 20 30 CFEDLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000619674429 383146715 /nfs/dbraw/zinc/14/67/15/383146715.db2.gz MQXPPYOVTSQPBF-MRXNPFEDSA-N 2 2 296.374 2.600 20 30 CFEDLP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000619674429 383146716 /nfs/dbraw/zinc/14/67/16/383146716.db2.gz MQXPPYOVTSQPBF-MRXNPFEDSA-N 2 2 296.374 2.600 20 30 CFEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]Cc1cccc(C#N)c1 ZINC000518541895 383201965 /nfs/dbraw/zinc/20/19/65/383201965.db2.gz CXIMXHHLQMLUNJ-GOSISDBHSA-N 2 2 279.387 2.910 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC000247345155 383165583 /nfs/dbraw/zinc/16/55/83/383165583.db2.gz GUXMWAGHAQXZTR-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC000247345155 383165588 /nfs/dbraw/zinc/16/55/88/383165588.db2.gz GUXMWAGHAQXZTR-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC000247345155 383165592 /nfs/dbraw/zinc/16/55/92/383165592.db2.gz GUXMWAGHAQXZTR-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)[C@@H](C)C1 ZINC000247345155 383165596 /nfs/dbraw/zinc/16/55/96/383165596.db2.gz GUXMWAGHAQXZTR-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449085040 383167787 /nfs/dbraw/zinc/16/77/87/383167787.db2.gz ZXOGJKADPGQZMG-QQFBHYJXSA-N 2 2 263.429 2.780 20 30 CFEDLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449085040 383167791 /nfs/dbraw/zinc/16/77/91/383167791.db2.gz ZXOGJKADPGQZMG-QQFBHYJXSA-N 2 2 263.429 2.780 20 30 CFEDLP C[C@@H](F)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000339499018 383217364 /nfs/dbraw/zinc/21/73/64/383217364.db2.gz VKBPYDFRXGTRTC-CQSZACIVSA-N 2 2 289.398 2.860 20 30 CFEDLP Cc1cc(NCCCC[N@H+]2CCC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425205951 383340000 /nfs/dbraw/zinc/34/00/00/383340000.db2.gz KCMIGCPNQINTIB-CQSZACIVSA-N 2 2 286.423 2.608 20 30 CFEDLP Cc1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c(C#N)c[nH+]1 ZINC000425205951 383340005 /nfs/dbraw/zinc/34/00/05/383340005.db2.gz KCMIGCPNQINTIB-CQSZACIVSA-N 2 2 286.423 2.608 20 30 CFEDLP CC[N@H+](C)Cc1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425217826 383341407 /nfs/dbraw/zinc/34/14/07/383341407.db2.gz WGNFFSNUXCJSRG-UHFFFAOYSA-N 2 2 294.402 2.747 20 30 CFEDLP CC[N@@H+](C)Cc1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425217826 383341410 /nfs/dbraw/zinc/34/14/10/383341410.db2.gz WGNFFSNUXCJSRG-UHFFFAOYSA-N 2 2 294.402 2.747 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000568583646 383415494 /nfs/dbraw/zinc/41/54/94/383415494.db2.gz CCWMBRJSWNWUCY-OAHLLOKOSA-N 2 2 299.805 2.915 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000568583646 383415498 /nfs/dbraw/zinc/41/54/98/383415498.db2.gz CCWMBRJSWNWUCY-OAHLLOKOSA-N 2 2 299.805 2.915 20 30 CFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450376213 383392974 /nfs/dbraw/zinc/39/29/74/383392974.db2.gz GJYFIPGWCWONJY-AWEZNQCLSA-N 2 2 272.396 2.776 20 30 CFEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450376213 383392980 /nfs/dbraw/zinc/39/29/80/383392980.db2.gz GJYFIPGWCWONJY-AWEZNQCLSA-N 2 2 272.396 2.776 20 30 CFEDLP CC[NH+](C/C=C\C[N@@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000255369687 383480732 /nfs/dbraw/zinc/48/07/32/383480732.db2.gz DUHAJRKBPXZYQZ-ZJBFNYKTSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[NH+](C/C=C\C[N@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000255369687 383480736 /nfs/dbraw/zinc/48/07/36/383480736.db2.gz DUHAJRKBPXZYQZ-ZJBFNYKTSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[NH+](C/C=C/C[N@@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000253357667 383452356 /nfs/dbraw/zinc/45/23/56/383452356.db2.gz DUHAJRKBPXZYQZ-COAGQGPPSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[NH+](C/C=C/C[N@H+](CC)C[C@H](C)C#N)C[C@@H](C)C#N ZINC000253357667 383452359 /nfs/dbraw/zinc/45/23/59/383452359.db2.gz DUHAJRKBPXZYQZ-COAGQGPPSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[NH+](C/C=C/C[N@H+](CC)C[C@@H](C)C#N)C[C@H](C)C#N ZINC000253357667 383452363 /nfs/dbraw/zinc/45/23/63/383452363.db2.gz DUHAJRKBPXZYQZ-COAGQGPPSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[NH+](C/C=C/C[N@@H+](CC)C[C@@H](C)C#N)C[C@H](C)C#N ZINC000253357667 383452365 /nfs/dbraw/zinc/45/23/65/383452365.db2.gz DUHAJRKBPXZYQZ-COAGQGPPSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000428391056 383464224 /nfs/dbraw/zinc/46/42/24/383464224.db2.gz FHBLQAFXMDADNT-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000428391056 383464229 /nfs/dbraw/zinc/46/42/29/383464229.db2.gz FHBLQAFXMDADNT-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000428391056 383464232 /nfs/dbraw/zinc/46/42/32/383464232.db2.gz FHBLQAFXMDADNT-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000428391056 383464241 /nfs/dbraw/zinc/46/42/41/383464241.db2.gz FHBLQAFXMDADNT-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(C#N)c[nH+]1 ZINC000528117207 383474489 /nfs/dbraw/zinc/47/44/89/383474489.db2.gz LAPDSEGUVXXFAJ-INIZCTEOSA-N 2 2 284.407 2.503 20 30 CFEDLP Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c(C#N)c[nH+]1 ZINC000528117207 383474493 /nfs/dbraw/zinc/47/44/93/383474493.db2.gz LAPDSEGUVXXFAJ-INIZCTEOSA-N 2 2 284.407 2.503 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530178005 383767747 /nfs/dbraw/zinc/76/77/47/383767747.db2.gz NHXRLUHZOVQGAZ-INIZCTEOSA-N 2 2 272.392 2.626 20 30 CFEDLP C=C(C)C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267327042 384357936 /nfs/dbraw/zinc/35/79/36/384357936.db2.gz BFNSWKPIICXKKJ-UHFFFAOYSA-N 2 2 256.353 2.665 20 30 CFEDLP C=C(C)C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267327042 384357948 /nfs/dbraw/zinc/35/79/48/384357948.db2.gz BFNSWKPIICXKKJ-UHFFFAOYSA-N 2 2 256.353 2.665 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268139296 384541057 /nfs/dbraw/zinc/54/10/57/384541057.db2.gz SDFPOPRUSHEFSR-KXBFYZLASA-N 2 2 298.430 2.661 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268139296 384541062 /nfs/dbraw/zinc/54/10/62/384541062.db2.gz SDFPOPRUSHEFSR-KXBFYZLASA-N 2 2 298.430 2.661 20 30 CFEDLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000269719255 384849282 /nfs/dbraw/zinc/84/92/82/384849282.db2.gz SVZJWTMSHTWWEQ-AWEZNQCLSA-N 2 2 296.374 2.670 20 30 CFEDLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000269719255 384849292 /nfs/dbraw/zinc/84/92/92/384849292.db2.gz SVZJWTMSHTWWEQ-AWEZNQCLSA-N 2 2 296.374 2.670 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)c(F)c1 ZINC000271916395 385400319 /nfs/dbraw/zinc/40/03/19/385400319.db2.gz GOFPPUOBUMJMPL-VUCTXSBTSA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)c(F)c1 ZINC000271916395 385400321 /nfs/dbraw/zinc/40/03/21/385400321.db2.gz GOFPPUOBUMJMPL-VUCTXSBTSA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000273094243 385670958 /nfs/dbraw/zinc/67/09/58/385670958.db2.gz UDRAYLKZUFXCQA-GOEBONIOSA-N 2 2 257.381 2.543 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000273094243 385670963 /nfs/dbraw/zinc/67/09/63/385670963.db2.gz UDRAYLKZUFXCQA-GOEBONIOSA-N 2 2 257.381 2.543 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276887573 386070777 /nfs/dbraw/zinc/07/07/77/386070777.db2.gz BQKAJUWLUDYVCS-INIZCTEOSA-N 2 2 265.360 2.641 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276887573 386070779 /nfs/dbraw/zinc/07/07/79/386070779.db2.gz BQKAJUWLUDYVCS-INIZCTEOSA-N 2 2 265.360 2.641 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(C#N)c1 ZINC000346803002 393932921 /nfs/dbraw/zinc/93/29/21/393932921.db2.gz UTKNUWMEPFBVHO-ZENOOKHLSA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(C#N)c1 ZINC000346803002 393932926 /nfs/dbraw/zinc/93/29/26/393932926.db2.gz UTKNUWMEPFBVHO-ZENOOKHLSA-N 2 2 257.381 2.692 20 30 CFEDLP CC#CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000121809015 393960539 /nfs/dbraw/zinc/96/05/39/393960539.db2.gz PBPRVXMSYZSYQX-SJLPKXTDSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000121809015 393960541 /nfs/dbraw/zinc/96/05/41/393960541.db2.gz PBPRVXMSYZSYQX-SJLPKXTDSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121809015 393960544 /nfs/dbraw/zinc/96/05/44/393960544.db2.gz PBPRVXMSYZSYQX-SJLPKXTDSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121809015 393960545 /nfs/dbraw/zinc/96/05/45/393960545.db2.gz PBPRVXMSYZSYQX-SJLPKXTDSA-N 2 2 270.420 2.995 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C[N@@H+]1C1CC1 ZINC000353237751 394026160 /nfs/dbraw/zinc/02/61/60/394026160.db2.gz FTSUKXPDGFMHEY-HNJNHCNJSA-N 2 2 281.403 2.760 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C[N@H+]1C1CC1 ZINC000353237751 394026165 /nfs/dbraw/zinc/02/61/65/394026165.db2.gz FTSUKXPDGFMHEY-HNJNHCNJSA-N 2 2 281.403 2.760 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269616228 394005148 /nfs/dbraw/zinc/00/51/48/394005148.db2.gz GQOYECHYKCDYMS-OAHLLOKOSA-N 2 2 283.350 2.780 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269616228 394005153 /nfs/dbraw/zinc/00/51/53/394005153.db2.gz GQOYECHYKCDYMS-OAHLLOKOSA-N 2 2 283.350 2.780 20 30 CFEDLP Fc1ccc(C#CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000372170853 394307559 /nfs/dbraw/zinc/30/75/59/394307559.db2.gz WRCFPVWBNKFCCN-UHFFFAOYSA-N 2 2 283.350 2.780 20 30 CFEDLP Fc1ccc(C#CC[NH+]2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000372170853 394307563 /nfs/dbraw/zinc/30/75/63/394307563.db2.gz WRCFPVWBNKFCCN-UHFFFAOYSA-N 2 2 283.350 2.780 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000376046079 157318107 /nfs/dbraw/zinc/31/81/07/157318107.db2.gz YISMIEABCRMMJS-LBPRGKRZSA-N 2 2 286.404 2.733 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000376046079 157318110 /nfs/dbraw/zinc/31/81/10/157318110.db2.gz YISMIEABCRMMJS-LBPRGKRZSA-N 2 2 286.404 2.733 20 30 CFEDLP C=CCC1([NH2+]Cc2c[nH+]c3c(C)cccn23)CCOCC1 ZINC000657632949 413809520 /nfs/dbraw/zinc/80/95/20/413809520.db2.gz DMYUDJVAHXGLHV-UHFFFAOYSA-N 2 2 285.391 2.858 20 30 CFEDLP C=CCOCCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000657658294 413825217 /nfs/dbraw/zinc/82/52/17/413825217.db2.gz RETLYQDDKROFFM-UHFFFAOYSA-N 2 2 285.391 2.863 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000657869418 414017455 /nfs/dbraw/zinc/01/74/55/414017455.db2.gz WBGZVVXSHFJHBC-ZACQAIPSSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000657869418 414017463 /nfs/dbraw/zinc/01/74/63/414017463.db2.gz WBGZVVXSHFJHBC-ZACQAIPSSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657875808 414019890 /nfs/dbraw/zinc/01/98/90/414019890.db2.gz QESQIOJEGMQPQC-LLVKDONJSA-N 2 2 260.372 2.906 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658059723 414144119 /nfs/dbraw/zinc/14/41/19/414144119.db2.gz KGVOVMJFARXYAK-BPQIPLTHSA-N 2 2 292.467 2.964 20 30 CFEDLP C=CC[C@]1(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)CCC[NH2+]1 ZINC000662708123 414596739 /nfs/dbraw/zinc/59/67/39/414596739.db2.gz OZNKMZLCJSJEQT-QGZVFWFLSA-N 2 2 296.374 2.714 20 30 CFEDLP N#CCC1(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000088255426 260230003 /nfs/dbraw/zinc/23/00/03/260230003.db2.gz PTHUZVGGSAXGHS-KRWDZBQOSA-N 2 2 283.419 2.934 20 30 CFEDLP N#CCC1(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000088255426 260230005 /nfs/dbraw/zinc/23/00/05/260230005.db2.gz PTHUZVGGSAXGHS-KRWDZBQOSA-N 2 2 283.419 2.934 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000184090749 262008572 /nfs/dbraw/zinc/00/85/72/262008572.db2.gz UFVFMFNDMGKGEG-KRWDZBQOSA-N 2 2 296.418 2.805 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000192697144 262208920 /nfs/dbraw/zinc/20/89/20/262208920.db2.gz USIPUPBCGORADM-SJLPKXTDSA-N 2 2 298.434 2.718 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CCC)CC1 ZINC000020190083 262233073 /nfs/dbraw/zinc/23/30/73/262233073.db2.gz MHWQCSXZSXDUFM-UHFFFAOYSA-N 2 2 286.419 2.663 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000054183895 262259717 /nfs/dbraw/zinc/25/97/17/262259717.db2.gz AOPBUSMTVBGEDO-KRWDZBQOSA-N 2 2 285.435 2.975 20 30 CFEDLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC(C)(C)[C@H]1C#N ZINC000277922851 263044751 /nfs/dbraw/zinc/04/47/51/263044751.db2.gz YCBRPTTYAXLGFI-CQSZACIVSA-N 2 2 260.385 2.596 20 30 CFEDLP Cc1[nH+]ccn1CCC[N@H+]1CCCC(C)(C)[C@H]1C#N ZINC000277922851 263044752 /nfs/dbraw/zinc/04/47/52/263044752.db2.gz YCBRPTTYAXLGFI-CQSZACIVSA-N 2 2 260.385 2.596 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000278281484 263046489 /nfs/dbraw/zinc/04/64/89/263046489.db2.gz PZMCKULWNGXNGJ-KURKYZTESA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000278281484 263046490 /nfs/dbraw/zinc/04/64/90/263046490.db2.gz PZMCKULWNGXNGJ-KURKYZTESA-N 2 2 283.419 2.933 20 30 CFEDLP C[N@@H+]1CC[C@H]([NH2+]CCCCC#N)[C@@H]1c1ccccc1 ZINC000284337484 263086406 /nfs/dbraw/zinc/08/64/06/263086406.db2.gz QWWWZLSIFXPNFA-HOTGVXAUSA-N 2 2 257.381 2.715 20 30 CFEDLP C[N@H+]1CC[C@H]([NH2+]CCCCC#N)[C@@H]1c1ccccc1 ZINC000284337484 263086407 /nfs/dbraw/zinc/08/64/07/263086407.db2.gz QWWWZLSIFXPNFA-HOTGVXAUSA-N 2 2 257.381 2.715 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000353504136 266039461 /nfs/dbraw/zinc/03/94/61/266039461.db2.gz QDTFOAUNVWOMQT-CQSZACIVSA-N 2 2 259.397 2.691 20 30 CFEDLP C=CC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358045814 266405141 /nfs/dbraw/zinc/40/51/41/266405141.db2.gz JZIYDIHXVBWEBG-CQSZACIVSA-N 2 2 259.397 2.600 20 30 CFEDLP C=CC[C@H](CC)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000368530087 267180873 /nfs/dbraw/zinc/18/08/73/267180873.db2.gz IIHZVWKOWQAZLN-INIZCTEOSA-N 2 2 273.424 2.990 20 30 CFEDLP Cc1cc(NCCC[N@@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399732947 267300625 /nfs/dbraw/zinc/30/06/25/267300625.db2.gz MSNIQVCAJGJQDI-UHFFFAOYSA-N 2 2 294.402 2.618 20 30 CFEDLP Cc1cc(NCCC[N@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399732947 267300626 /nfs/dbraw/zinc/30/06/26/267300626.db2.gz MSNIQVCAJGJQDI-UHFFFAOYSA-N 2 2 294.402 2.618 20 30 CFEDLP N#CC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000418144909 267366563 /nfs/dbraw/zinc/36/65/63/267366563.db2.gz VQPCDDNJQUIMHX-UHFFFAOYSA-N 2 2 266.348 2.656 20 30 CFEDLP C#CCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000376729781 268012487 /nfs/dbraw/zinc/01/24/87/268012487.db2.gz SSMJEIZAIMUZSY-UHFFFAOYSA-N 2 2 295.386 2.521 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC000192056121 270228964 /nfs/dbraw/zinc/22/89/64/270228964.db2.gz DVNAYZVEILQWCF-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC000192056121 270228965 /nfs/dbraw/zinc/22/89/65/270228965.db2.gz DVNAYZVEILQWCF-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)CC[NH+]1C ZINC000192056121 270228968 /nfs/dbraw/zinc/22/89/68/270228968.db2.gz DVNAYZVEILQWCF-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)CC[NH+]1C ZINC000192056121 270228969 /nfs/dbraw/zinc/22/89/69/270228969.db2.gz DVNAYZVEILQWCF-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C#N)cc1 ZINC000367368646 274253244 /nfs/dbraw/zinc/25/32/44/274253244.db2.gz VOVPHFPRKDGGFS-CYBMUJFWSA-N 2 2 280.375 2.942 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000278336799 280190123 /nfs/dbraw/zinc/19/01/23/280190123.db2.gz XBRQMGUDKZPZIK-HZPDHXFCSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000278336799 280190124 /nfs/dbraw/zinc/19/01/24/280190124.db2.gz XBRQMGUDKZPZIK-HZPDHXFCSA-N 2 2 257.381 2.693 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000563363611 328058808 /nfs/dbraw/zinc/05/88/08/328058808.db2.gz ITNJEDRTWMQXCF-HZPDHXFCSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000563363611 328058810 /nfs/dbraw/zinc/05/88/10/328058810.db2.gz ITNJEDRTWMQXCF-HZPDHXFCSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000563363610 328058933 /nfs/dbraw/zinc/05/89/33/328058933.db2.gz ITNJEDRTWMQXCF-HOTGVXAUSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000563363610 328058935 /nfs/dbraw/zinc/05/89/35/328058935.db2.gz ITNJEDRTWMQXCF-HOTGVXAUSA-N 2 2 280.456 2.916 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000271531767 328196864 /nfs/dbraw/zinc/19/68/64/328196864.db2.gz WXOQCGYSXPJHBS-DEYYWGMASA-N 2 2 299.418 2.722 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000271531767 328196866 /nfs/dbraw/zinc/19/68/66/328196866.db2.gz WXOQCGYSXPJHBS-DEYYWGMASA-N 2 2 299.418 2.722 20 30 CFEDLP C[N@H+](CCCCC#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377370741 329013004 /nfs/dbraw/zinc/01/30/04/329013004.db2.gz YUXSRUVCBUBCFI-IRXDYDNUSA-N 2 2 286.423 2.700 20 30 CFEDLP C[N@@H+](CCCCC#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377370741 329013006 /nfs/dbraw/zinc/01/30/06/329013006.db2.gz YUXSRUVCBUBCFI-IRXDYDNUSA-N 2 2 286.423 2.700 20 30 CFEDLP C[NH+](CCCCC#N)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377370741 329013008 /nfs/dbraw/zinc/01/30/08/329013008.db2.gz YUXSRUVCBUBCFI-IRXDYDNUSA-N 2 2 286.423 2.700 20 30 CFEDLP C[NH+](CCCCC#N)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377370741 329013009 /nfs/dbraw/zinc/01/30/09/329013009.db2.gz YUXSRUVCBUBCFI-IRXDYDNUSA-N 2 2 286.423 2.700 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000177911851 329190169 /nfs/dbraw/zinc/19/01/69/329190169.db2.gz NCJQFUNKVZFGLZ-ZDUSSCGKSA-N 2 2 289.379 2.896 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000179836026 329212458 /nfs/dbraw/zinc/21/24/58/329212458.db2.gz YNEIAABEFQZXDH-UHFFFAOYSA-N 2 2 286.419 2.661 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(O)c2OC)CC1 ZINC000272488857 330086582 /nfs/dbraw/zinc/08/65/82/330086582.db2.gz UGPCBLNMCXKODR-UHFFFAOYSA-N 2 2 290.407 2.531 20 30 CFEDLP C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422997343 330163537 /nfs/dbraw/zinc/16/35/37/330163537.db2.gz NQLGJMDOTROCDK-BMFZPTHFSA-N 2 2 257.381 2.762 20 30 CFEDLP COc1ccc([C@@H]([NH2+]CCCCC#N)[C@H]2CCC[NH2+]2)cc1 ZINC000422975854 330164859 /nfs/dbraw/zinc/16/48/59/330164859.db2.gz UGBTURWAKWDQNE-IAGOWNOFSA-N 2 2 287.407 2.772 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc1 ZINC000423111781 330170828 /nfs/dbraw/zinc/17/08/28/330170828.db2.gz WNTIHOXBKOJBKR-SJORKVTESA-N 2 2 274.408 2.872 20 30 CFEDLP N#CC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000450889471 331005037 /nfs/dbraw/zinc/00/50/37/331005037.db2.gz QYZBPNQBUCYXOL-HDICACEKSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000450889471 331005038 /nfs/dbraw/zinc/00/50/38/331005038.db2.gz QYZBPNQBUCYXOL-HDICACEKSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000450889471 331005039 /nfs/dbraw/zinc/00/50/39/331005039.db2.gz QYZBPNQBUCYXOL-HDICACEKSA-N 2 2 295.430 2.744 20 30 CFEDLP N#CC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000450889471 331005040 /nfs/dbraw/zinc/00/50/40/331005040.db2.gz QYZBPNQBUCYXOL-HDICACEKSA-N 2 2 295.430 2.744 20 30 CFEDLP C#C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(F)cc1 ZINC000491419074 332208195 /nfs/dbraw/zinc/20/81/95/332208195.db2.gz TVRZPTKEFCBJNH-MRXNPFEDSA-N 2 2 279.318 2.938 20 30 CFEDLP C#C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000311290231 333066937 /nfs/dbraw/zinc/06/69/37/333066937.db2.gz SGWMVMFXGLSYHH-INIZCTEOSA-N 2 2 253.349 2.620 20 30 CFEDLP C#C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000311290232 333066993 /nfs/dbraw/zinc/06/69/93/333066993.db2.gz SGWMVMFXGLSYHH-MRXNPFEDSA-N 2 2 253.349 2.620 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)cn2)CC1 ZINC000134295670 334087334 /nfs/dbraw/zinc/08/73/34/334087334.db2.gz ZWNRZYBCUCSARA-UHFFFAOYSA-N 2 2 259.397 2.520 20 30 CFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000248623224 334309521 /nfs/dbraw/zinc/30/95/21/334309521.db2.gz NLJIJPRTZKCZPZ-SQWLQELKSA-N 2 2 263.429 2.779 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000252658251 334384221 /nfs/dbraw/zinc/38/42/21/334384221.db2.gz YCWOFJVRBUYOBB-NVXWUHKLSA-N 2 2 256.393 2.510 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000252658251 334384222 /nfs/dbraw/zinc/38/42/22/334384222.db2.gz YCWOFJVRBUYOBB-NVXWUHKLSA-N 2 2 256.393 2.510 20 30 CFEDLP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)ccc1C#N ZINC000423124627 533899024 /nfs/dbraw/zinc/89/90/24/533899024.db2.gz OXEWDJCOLFSUOV-IAGOWNOFSA-N 2 2 293.370 2.801 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCc1c[nH+]cn1C ZINC000425535239 534081102 /nfs/dbraw/zinc/08/11/02/534081102.db2.gz NCQMURSDDITHPC-ZDUSSCGKSA-N 2 2 268.364 2.527 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000425535239 534081112 /nfs/dbraw/zinc/08/11/12/534081112.db2.gz NCQMURSDDITHPC-ZDUSSCGKSA-N 2 2 268.364 2.527 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192048062 520727353 /nfs/dbraw/zinc/72/73/53/520727353.db2.gz QUOIGNDBRXNGQD-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192048062 520727361 /nfs/dbraw/zinc/72/73/61/520727361.db2.gz QUOIGNDBRXNGQD-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340868545 520740492 /nfs/dbraw/zinc/74/04/92/520740492.db2.gz JKRODGBHHJLUCS-CQSZACIVSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340868545 520740499 /nfs/dbraw/zinc/74/04/99/520740499.db2.gz JKRODGBHHJLUCS-CQSZACIVSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC000361828076 521565029 /nfs/dbraw/zinc/56/50/29/521565029.db2.gz DDMHQJOORGAJPW-UHFFFAOYSA-N 2 2 275.371 2.613 20 30 CFEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC000361828076 521565038 /nfs/dbraw/zinc/56/50/38/521565038.db2.gz DDMHQJOORGAJPW-UHFFFAOYSA-N 2 2 275.371 2.613 20 30 CFEDLP N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336111908 526523599 /nfs/dbraw/zinc/52/35/99/526523599.db2.gz AWWLYHOXWOROIH-CYBMUJFWSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336111908 526523606 /nfs/dbraw/zinc/52/36/06/526523606.db2.gz AWWLYHOXWOROIH-CYBMUJFWSA-N 2 2 284.338 2.800 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccco1 ZINC000356061801 527449925 /nfs/dbraw/zinc/44/99/25/527449925.db2.gz CSBBEQPZGWGFKK-HZPDHXFCSA-N 2 2 292.423 2.987 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccco1 ZINC000356061801 527449928 /nfs/dbraw/zinc/44/99/28/527449928.db2.gz CSBBEQPZGWGFKK-HZPDHXFCSA-N 2 2 292.423 2.987 20 30 CFEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747532009 574199866 /nfs/dbraw/zinc/19/98/66/574199866.db2.gz QRVVWUFOOOSFJK-GOSISDBHSA-N 2 2 268.404 2.608 20 30 CFEDLP C#CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747532009 574199869 /nfs/dbraw/zinc/19/98/69/574199869.db2.gz QRVVWUFOOOSFJK-GOSISDBHSA-N 2 2 268.404 2.608 20 30 CFEDLP C#CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747532009 574199871 /nfs/dbraw/zinc/19/98/71/574199871.db2.gz QRVVWUFOOOSFJK-GOSISDBHSA-N 2 2 268.404 2.608 20 30 CFEDLP C#CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747532009 574199875 /nfs/dbraw/zinc/19/98/75/574199875.db2.gz QRVVWUFOOOSFJK-GOSISDBHSA-N 2 2 268.404 2.608 20 30 CFEDLP N#CCOc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000751481451 574377696 /nfs/dbraw/zinc/37/76/96/574377696.db2.gz NBRRABMEVZTPCP-UHFFFAOYSA-N 2 2 296.374 2.692 20 30 CFEDLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc(C#N)cs1 ZINC000933773514 617775778 /nfs/dbraw/zinc/77/57/78/617775778.db2.gz NPMKHSPRIYECQA-ZDUSSCGKSA-N 2 2 263.410 2.536 20 30 CFEDLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cc(C#N)cs1 ZINC000933773514 617775774 /nfs/dbraw/zinc/77/57/74/617775774.db2.gz NPMKHSPRIYECQA-ZDUSSCGKSA-N 2 2 263.410 2.536 20 30 CFEDLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cc(C#N)cs1 ZINC000933773514 617775779 /nfs/dbraw/zinc/77/57/79/617775779.db2.gz NPMKHSPRIYECQA-ZDUSSCGKSA-N 2 2 263.410 2.536 20 30 CFEDLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cc(C#N)cs1 ZINC000933773514 617775780 /nfs/dbraw/zinc/77/57/80/617775780.db2.gz NPMKHSPRIYECQA-ZDUSSCGKSA-N 2 2 263.410 2.536 20 30 CFEDLP CC1(C)[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925608775 618302360 /nfs/dbraw/zinc/30/23/60/618302360.db2.gz JPSNXODMEFOMHG-KBMXLJTQSA-N 2 2 287.382 2.564 20 30 CFEDLP N#C[C@@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895112782 618314715 /nfs/dbraw/zinc/31/47/15/618314715.db2.gz RXUPRIAYTNCOBZ-FPCVCCKLSA-N 2 2 284.407 2.850 20 30 CFEDLP N#CCc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000926629336 618318306 /nfs/dbraw/zinc/31/83/06/618318306.db2.gz WLIZSVWTGORCEU-QZTJIDSGSA-N 2 2 283.419 2.859 20 30 CFEDLP N#CCc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000926629336 618318311 /nfs/dbraw/zinc/31/83/11/618318311.db2.gz WLIZSVWTGORCEU-QZTJIDSGSA-N 2 2 283.419 2.859 20 30 CFEDLP C=C(C[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000925634692 618367717 /nfs/dbraw/zinc/36/77/17/618367717.db2.gz JWVOMDSQPVRVJA-MRXNPFEDSA-N 2 2 256.393 2.964 20 30 CFEDLP C#CCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178059038 618621556 /nfs/dbraw/zinc/62/15/56/618621556.db2.gz LCXGMYIOSXWFCR-AWEZNQCLSA-N 2 2 253.349 2.936 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310758 618937866 /nfs/dbraw/zinc/93/78/66/618937866.db2.gz MWZRCYSAHMQVJE-ZTFGCOKTSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C#N)cc1F ZINC000925784311 619108511 /nfs/dbraw/zinc/10/85/11/619108511.db2.gz QQRHTEJCCVPWGY-PWSUYJOCSA-N 2 2 297.324 2.593 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(C#N)cc1F ZINC000925784309 619108880 /nfs/dbraw/zinc/10/88/80/619108880.db2.gz QQRHTEJCCVPWGY-CMPLNLGQSA-N 2 2 297.324 2.593 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCCNc1cccc[nH+]1 ZINC000925230624 620052437 /nfs/dbraw/zinc/05/24/37/620052437.db2.gz BVGGPYCAFGTKAI-ZDUSSCGKSA-N 2 2 260.385 2.802 20 30 CFEDLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000898307369 620369729 /nfs/dbraw/zinc/36/97/29/620369729.db2.gz AIWIRSJIKCVAGT-UHFFFAOYSA-N 2 2 277.387 2.717 20 30 CFEDLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000898307369 620369732 /nfs/dbraw/zinc/36/97/32/620369732.db2.gz AIWIRSJIKCVAGT-UHFFFAOYSA-N 2 2 277.387 2.717 20 30 CFEDLP C=CCC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CC1 ZINC000902435469 621079188 /nfs/dbraw/zinc/07/91/88/621079188.db2.gz BTNPFZPUVSOFBY-GVDBMIGSSA-N 2 2 256.393 2.946 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902447200 621089743 /nfs/dbraw/zinc/08/97/43/621089743.db2.gz XAVTZEKCMLYCKS-HUUCEWRRSA-N 2 2 257.381 2.597 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000902483882 621110246 /nfs/dbraw/zinc/11/02/46/621110246.db2.gz SKVPZHVCROCLAU-CJNGLKHVSA-N 2 2 257.381 2.741 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902795275 621178731 /nfs/dbraw/zinc/17/87/31/621178731.db2.gz CTZDDGNWBTZOJU-AWEZNQCLSA-N 2 2 284.407 2.644 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058459 621236693 /nfs/dbraw/zinc/23/66/93/621236693.db2.gz HHHNZBUOGHSZAQ-WMLDXEAASA-N 2 2 298.434 2.726 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058459 621236696 /nfs/dbraw/zinc/23/66/96/621236696.db2.gz HHHNZBUOGHSZAQ-WMLDXEAASA-N 2 2 298.434 2.726 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903091053 621249420 /nfs/dbraw/zinc/24/94/20/621249420.db2.gz MBTOMVIJMILPGG-QGZVFWFLSA-N 2 2 271.408 2.773 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000903091969 621257510 /nfs/dbraw/zinc/25/75/10/621257510.db2.gz DXGWDFQRFCBNLR-HZPDHXFCSA-N 2 2 296.842 2.859 20 30 CFEDLP C=CCC[C@@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)[C@@H]1CCCO1 ZINC000903197458 621282457 /nfs/dbraw/zinc/28/24/57/621282457.db2.gz OWPKYCAPIBHWIK-SJORKVTESA-N 2 2 289.423 2.751 20 30 CFEDLP C=CCC[C@@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)[C@H]1CCCO1 ZINC000903197456 621282525 /nfs/dbraw/zinc/28/25/25/621282525.db2.gz OWPKYCAPIBHWIK-IAGOWNOFSA-N 2 2 289.423 2.751 20 30 CFEDLP CCn1c[nH+]cc1/C=C\C(=O)c1cccc(C[NH+](C)C)c1 ZINC000905078143 621690219 /nfs/dbraw/zinc/69/02/19/621690219.db2.gz LUIAYNKZRHRLRW-HJWRWDBZSA-N 2 2 283.375 2.861 20 30 CFEDLP C=C[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000766569331 627209400 /nfs/dbraw/zinc/20/94/00/627209400.db2.gz AHUKYSHLANEHGU-CQSZACIVSA-N 2 2 273.424 2.886 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775385732 628018245 /nfs/dbraw/zinc/01/82/45/628018245.db2.gz MNAJHKWTLLHDPX-ILXRZTDVSA-N 2 2 298.521 2.606 20 30 CFEDLP C#C[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000775575353 628042587 /nfs/dbraw/zinc/04/25/87/628042587.db2.gz WAKYZHLJGKCGTC-JLSDUUJJSA-N 2 2 295.386 2.704 20 30 CFEDLP C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000791567476 629334696 /nfs/dbraw/zinc/33/46/96/629334696.db2.gz YVZASXJWYWAEPB-GOSISDBHSA-N 2 2 288.435 2.521 20 30 CFEDLP C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000791567476 629334699 /nfs/dbraw/zinc/33/46/99/629334699.db2.gz YVZASXJWYWAEPB-GOSISDBHSA-N 2 2 288.435 2.521 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000799715026 630337724 /nfs/dbraw/zinc/33/77/24/630337724.db2.gz KQCDJRNGGOUBJB-MCIONIFRSA-N 2 2 260.385 2.580 20 30 CFEDLP CSC1(C/[NH+]=C\c2ccccc2O)CC[NH+](C)CC1 ZINC000811625961 631589011 /nfs/dbraw/zinc/58/90/11/631589011.db2.gz ZMHSFISWAJJVAZ-WJDWOHSUSA-N 2 2 278.421 2.639 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000818338705 632832754 /nfs/dbraw/zinc/83/27/54/632832754.db2.gz AEXJRUOPVAVOSK-ZDUSSCGKSA-N 2 2 294.826 2.954 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000818338705 632832757 /nfs/dbraw/zinc/83/27/57/632832757.db2.gz AEXJRUOPVAVOSK-ZDUSSCGKSA-N 2 2 294.826 2.954 20 30 CFEDLP C#C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000847027387 632892954 /nfs/dbraw/zinc/89/29/54/632892954.db2.gz AVMQMNZPRGOVBC-HNNXBMFYSA-N 2 2 265.360 2.718 20 30 CFEDLP C#C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000847027387 632892961 /nfs/dbraw/zinc/89/29/61/632892961.db2.gz AVMQMNZPRGOVBC-HNNXBMFYSA-N 2 2 265.360 2.718 20 30 CFEDLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000848574534 633293989 /nfs/dbraw/zinc/29/39/89/633293989.db2.gz FJPSFJNAOPZELP-IAGOWNOFSA-N 2 2 299.418 2.673 20 30 CFEDLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000848574534 633293991 /nfs/dbraw/zinc/29/39/91/633293991.db2.gz FJPSFJNAOPZELP-IAGOWNOFSA-N 2 2 299.418 2.673 20 30 CFEDLP C#CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575682 633294654 /nfs/dbraw/zinc/29/46/54/633294654.db2.gz VCPHZNDHMHFUEZ-RBUKOAKNSA-N 2 2 298.430 2.805 20 30 CFEDLP C#CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575682 633294656 /nfs/dbraw/zinc/29/46/56/633294656.db2.gz VCPHZNDHMHFUEZ-RBUKOAKNSA-N 2 2 298.430 2.805 20 30 CFEDLP Cc1c[nH+]ccc1N[NH+]=C1CCCc2cc(N)ccc21 ZINC000863158306 637571394 /nfs/dbraw/zinc/57/13/94/637571394.db2.gz WGVGMQQMAOCYQV-UHFFFAOYSA-N 2 2 266.348 2.547 20 30 CFEDLP CCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866218707 638772820 /nfs/dbraw/zinc/77/28/20/638772820.db2.gz WINJDYBHJAYFMI-CYBMUJFWSA-N 2 2 287.407 2.789 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C#N)c1O ZINC000866236358 638776597 /nfs/dbraw/zinc/77/65/97/638776597.db2.gz DCXJHYZKGMKDCH-QEJZJMRPSA-N 2 2 285.391 2.541 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C#N)c1O ZINC000866236358 638776599 /nfs/dbraw/zinc/77/65/99/638776599.db2.gz DCXJHYZKGMKDCH-QEJZJMRPSA-N 2 2 285.391 2.541 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873228512 642078987 /nfs/dbraw/zinc/07/89/87/642078987.db2.gz FIRLCAINDFYNBT-IAGOWNOFSA-N 2 2 272.392 2.626 20 30 CFEDLP C#C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513510 643319767 /nfs/dbraw/zinc/31/97/67/643319767.db2.gz AKJLAVQBRNTZFR-YXJHDRRASA-N 2 2 268.404 2.966 20 30 CFEDLP C#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513510 643319773 /nfs/dbraw/zinc/31/97/73/643319773.db2.gz AKJLAVQBRNTZFR-YXJHDRRASA-N 2 2 268.404 2.966 20 30 CFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCO1 ZINC000883188218 645650446 /nfs/dbraw/zinc/65/04/46/645650446.db2.gz GTFJHZBRESDLBM-IXDOHACOSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCCO1 ZINC000883188218 645650450 /nfs/dbraw/zinc/65/04/50/645650450.db2.gz GTFJHZBRESDLBM-IXDOHACOSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)[C@@H]1CCCO1 ZINC000883194837 645655413 /nfs/dbraw/zinc/65/54/13/645655413.db2.gz DPXNIMLVJKMWDW-JYJNAYRXSA-N 2 2 298.496 2.527 20 30 CFEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@H]1CCCO1 ZINC000883194489 645655421 /nfs/dbraw/zinc/65/54/21/645655421.db2.gz XFAGGHCYKVODTI-HRCADAONSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@H]1CCCO1 ZINC000883194489 645655425 /nfs/dbraw/zinc/65/54/25/645655425.db2.gz XFAGGHCYKVODTI-HRCADAONSA-N 2 2 266.429 2.574 20 30 CFEDLP C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883389721 645787493 /nfs/dbraw/zinc/78/74/93/645787493.db2.gz WZSZDHSDLIXZNS-GDBMZVCRSA-N 2 2 285.391 2.850 20 30 CFEDLP C=CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000925498202 647858523 /nfs/dbraw/zinc/85/85/23/647858523.db2.gz NSJKVXCMRYDGEC-CABCVRRESA-N 2 2 257.381 2.573 20 30 CFEDLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000925620445 648243636 /nfs/dbraw/zinc/24/36/36/648243636.db2.gz GSFXUTMNTPLDHE-BBRMVZONSA-N 2 2 289.448 2.522 20 30 CFEDLP CC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C#N)c1O ZINC000925713335 648292765 /nfs/dbraw/zinc/29/27/65/648292765.db2.gz XPJYVNDZSRHCAS-INIZCTEOSA-N 2 2 285.391 2.566 20 30 CFEDLP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(C#N)c1O ZINC000925713335 648292774 /nfs/dbraw/zinc/29/27/74/648292774.db2.gz XPJYVNDZSRHCAS-INIZCTEOSA-N 2 2 285.391 2.566 20 30 CFEDLP Cc1ccc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1C#N ZINC000931313248 649404898 /nfs/dbraw/zinc/40/48/98/649404898.db2.gz ADZXQYALCQXNGU-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1ccc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1C#N ZINC000931313248 649404901 /nfs/dbraw/zinc/40/49/01/649404901.db2.gz ADZXQYALCQXNGU-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1ccc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1C#N ZINC000931313248 649404903 /nfs/dbraw/zinc/40/49/03/649404903.db2.gz ADZXQYALCQXNGU-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1ccc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1C#N ZINC000931313248 649404906 /nfs/dbraw/zinc/40/49/06/649404906.db2.gz ADZXQYALCQXNGU-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP C#CCC1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCC1 ZINC000933295047 649685730 /nfs/dbraw/zinc/68/57/30/649685730.db2.gz OXMCWCMGDJYUAN-UHFFFAOYSA-N 2 2 298.430 2.554 20 30 CFEDLP C=CCc1cccc(C[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1O ZINC001235114404 778386670 /nfs/dbraw/zinc/38/66/70/778386670.db2.gz CVYPYAXEDDYIRK-GOSISDBHSA-N 2 2 286.419 2.839 20 30 CFEDLP C=CCc1cccc(C[N@H+]2CCCC[C@]23CC[NH2+]C3)c1O ZINC001235114404 778386672 /nfs/dbraw/zinc/38/66/72/778386672.db2.gz CVYPYAXEDDYIRK-GOSISDBHSA-N 2 2 286.419 2.839 20 30 CFEDLP C=CCCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001235778277 778557101 /nfs/dbraw/zinc/55/71/01/778557101.db2.gz WMLAYWGRPCWUIA-HZPDHXFCSA-N 2 2 296.455 2.725 20 30 CFEDLP C=CCCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H](C(=O)OC)C1 ZINC001235778277 778557105 /nfs/dbraw/zinc/55/71/05/778557105.db2.gz WMLAYWGRPCWUIA-HZPDHXFCSA-N 2 2 296.455 2.725 20 30 CFEDLP Cc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C#N ZINC001236468408 778837948 /nfs/dbraw/zinc/83/79/48/778837948.db2.gz MLKWRSVAVCAOPS-QGZVFWFLSA-N 2 2 271.408 2.829 20 30 CFEDLP Cc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1C#N ZINC001236468408 778837954 /nfs/dbraw/zinc/83/79/54/778837954.db2.gz MLKWRSVAVCAOPS-QGZVFWFLSA-N 2 2 271.408 2.829 20 30 CFEDLP N#Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1 ZINC001236532962 778867519 /nfs/dbraw/zinc/86/75/19/778867519.db2.gz JWWJIOOLNCSJQL-MRXNPFEDSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(F)c1 ZINC001236532962 778867528 /nfs/dbraw/zinc/86/75/28/778867528.db2.gz JWWJIOOLNCSJQL-MRXNPFEDSA-N 2 2 295.361 2.897 20 30 CFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238197060 779269811 /nfs/dbraw/zinc/26/98/11/779269811.db2.gz RUWHEUFYHHXOJO-UHFFFAOYSA-N 2 2 265.788 2.595 20 30 CFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238197060 779269815 /nfs/dbraw/zinc/26/98/15/779269815.db2.gz RUWHEUFYHHXOJO-UHFFFAOYSA-N 2 2 265.788 2.595 20 30 CFEDLP Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c2[nH+]ccn2c1 ZINC001240351202 780102196 /nfs/dbraw/zinc/10/21/96/780102196.db2.gz MCWPWGLHCYVNKN-UHFFFAOYSA-N 2 2 288.354 2.868 20 30 CFEDLP N#Cc1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241658782 781051459 /nfs/dbraw/zinc/05/14/59/781051459.db2.gz LBKJZKYHCQXMIX-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241658782 781051463 /nfs/dbraw/zinc/05/14/63/781051463.db2.gz LBKJZKYHCQXMIX-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP C#Cc1cccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241920243 781182636 /nfs/dbraw/zinc/18/26/36/781182636.db2.gz UOBRAVPTOZFRHY-UHFFFAOYSA-N 2 2 273.339 2.669 20 30 CFEDLP Cc1ccc(C[NH+]2CCC(C)([NH+](C)C)CC2)cc1C#N ZINC000709936215 781323681 /nfs/dbraw/zinc/32/36/81/781323681.db2.gz AVRREBJIFYWABB-UHFFFAOYSA-N 2 2 271.408 2.783 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000709979071 781324251 /nfs/dbraw/zinc/32/42/51/781324251.db2.gz FVAOKAXSHGGYTH-CHWSQXEVSA-N 2 2 251.418 2.777 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000709979071 781324255 /nfs/dbraw/zinc/32/42/55/781324255.db2.gz FVAOKAXSHGGYTH-CHWSQXEVSA-N 2 2 251.418 2.777 20 30 CFEDLP C#Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001242295639 781376056 /nfs/dbraw/zinc/37/60/56/781376056.db2.gz FJEKNZNLPUTHAG-IBGZPJMESA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1 ZINC001242295639 781376065 /nfs/dbraw/zinc/37/60/65/781376065.db2.gz FJEKNZNLPUTHAG-IBGZPJMESA-N 2 2 276.383 2.868 20 30 CFEDLP N#Cc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242584281 781617764 /nfs/dbraw/zinc/61/77/64/781617764.db2.gz JGSKLDUKACNXNW-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242584281 781617767 /nfs/dbraw/zinc/61/77/67/781617767.db2.gz JGSKLDUKACNXNW-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594931942 349515947 /nfs/dbraw/zinc/51/59/47/349515947.db2.gz JYMPDJVYAAFBHU-KDOFPFPSSA-N 2 2 295.430 2.814 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594931942 349515952 /nfs/dbraw/zinc/51/59/52/349515952.db2.gz JYMPDJVYAAFBHU-KDOFPFPSSA-N 2 2 295.430 2.814 20 30 CFEDLP N#CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000595614439 349677468 /nfs/dbraw/zinc/67/74/68/349677468.db2.gz HZBKVXYXTLEJLT-OAHLLOKOSA-N 2 2 280.375 2.998 20 30 CFEDLP N#CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000595614439 349677471 /nfs/dbraw/zinc/67/74/71/349677471.db2.gz HZBKVXYXTLEJLT-OAHLLOKOSA-N 2 2 280.375 2.998 20 30 CFEDLP N#CC[C@H]1CCC[NH+](CCC[N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595620742 349679747 /nfs/dbraw/zinc/67/97/47/349679747.db2.gz PQOIFUHPINLCTN-IAGOWNOFSA-N 2 2 288.439 2.628 20 30 CFEDLP N#CC[C@H]1CCC[NH+](CCC[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000595620742 349679749 /nfs/dbraw/zinc/67/97/49/349679749.db2.gz PQOIFUHPINLCTN-IAGOWNOFSA-N 2 2 288.439 2.628 20 30 CFEDLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595888530 349761907 /nfs/dbraw/zinc/76/19/07/349761907.db2.gz OCCYVYQFUOZVTE-CMPLNLGQSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595888530 349761913 /nfs/dbraw/zinc/76/19/13/349761913.db2.gz OCCYVYQFUOZVTE-CMPLNLGQSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595888532 349762131 /nfs/dbraw/zinc/76/21/31/349762131.db2.gz OCCYVYQFUOZVTE-PWSUYJOCSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595888532 349762133 /nfs/dbraw/zinc/76/21/33/349762133.db2.gz OCCYVYQFUOZVTE-PWSUYJOCSA-N 2 2 297.324 2.746 20 30 CFEDLP N#CCCCOc1ccc[nH+]c1NCc1c[nH+]c2n1CCC2 ZINC000596021154 349777149 /nfs/dbraw/zinc/77/71/49/349777149.db2.gz AKPRVLABICNMPC-UHFFFAOYSA-N 2 2 297.362 2.519 20 30 CFEDLP N#CCC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000596064960 349785699 /nfs/dbraw/zinc/78/56/99/349785699.db2.gz LMVYTTYVXQSYNM-KRWDZBQOSA-N 2 2 283.419 2.792 20 30 CFEDLP N#CCC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596064960 349785706 /nfs/dbraw/zinc/78/57/06/349785706.db2.gz LMVYTTYVXQSYNM-KRWDZBQOSA-N 2 2 283.419 2.792 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC=C)c1ccco1 ZINC000295074405 199331761 /nfs/dbraw/zinc/33/17/61/199331761.db2.gz SKPDJINDJWKXJS-HNNXBMFYSA-N 2 2 260.381 2.832 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC=C)c1ccco1 ZINC000295074405 199331763 /nfs/dbraw/zinc/33/17/63/199331763.db2.gz SKPDJINDJWKXJS-HNNXBMFYSA-N 2 2 260.381 2.832 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(CC)s2)CC1 ZINC000084022609 347455807 /nfs/dbraw/zinc/45/58/07/347455807.db2.gz RBOUASHMMOIQQO-UHFFFAOYSA-N 2 2 279.453 2.836 20 30 CFEDLP CC1(C#N)CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000590643785 348919534 /nfs/dbraw/zinc/91/95/34/348919534.db2.gz COWOLIVFMCDRRA-UHFFFAOYSA-N 2 2 260.385 2.725 20 30 CFEDLP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@H](c2ccccc2)C1 ZINC000592376373 349111828 /nfs/dbraw/zinc/11/18/28/349111828.db2.gz GZPUTPKLFHJQSQ-QAPCUYQASA-N 2 2 295.386 2.586 20 30 CFEDLP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@H](c2ccccc2)C1 ZINC000592376373 349111831 /nfs/dbraw/zinc/11/18/31/349111831.db2.gz GZPUTPKLFHJQSQ-QAPCUYQASA-N 2 2 295.386 2.586 20 30 CFEDLP Cc1[nH+]cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1C ZINC000597025632 350018098 /nfs/dbraw/zinc/01/80/98/350018098.db2.gz DDRNDTOBBVTSPB-UHFFFAOYSA-N 2 2 292.386 2.890 20 30 CFEDLP Cc1[nH+]cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)n1C ZINC000597025632 350018100 /nfs/dbraw/zinc/01/81/00/350018100.db2.gz DDRNDTOBBVTSPB-UHFFFAOYSA-N 2 2 292.386 2.890 20 30 CFEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000599088698 350374016 /nfs/dbraw/zinc/37/40/16/350374016.db2.gz SPPPBGZFQAXPRE-DOTOQJQBSA-N 2 2 269.392 2.619 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000599088698 350374020 /nfs/dbraw/zinc/37/40/20/350374020.db2.gz SPPPBGZFQAXPRE-DOTOQJQBSA-N 2 2 269.392 2.619 20 30 CFEDLP Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1C#N ZINC000599325825 350414628 /nfs/dbraw/zinc/41/46/28/350414628.db2.gz JHNGYJKDWKRFBM-UHFFFAOYSA-N 2 2 271.408 2.829 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccc(C#N)cc1 ZINC000600710794 350599198 /nfs/dbraw/zinc/59/91/98/350599198.db2.gz PFFQRJSEKIRDSS-HRCADAONSA-N 2 2 257.381 2.739 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000600773348 350608542 /nfs/dbraw/zinc/60/85/42/350608542.db2.gz HBCXFNBFDOUAPJ-KBPBESRZSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000600773348 350608543 /nfs/dbraw/zinc/60/85/43/350608543.db2.gz HBCXFNBFDOUAPJ-KBPBESRZSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000600773352 350608577 /nfs/dbraw/zinc/60/85/77/350608577.db2.gz HBCXFNBFDOUAPJ-UONOGXRCSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000600773352 350608579 /nfs/dbraw/zinc/60/85/79/350608579.db2.gz HBCXFNBFDOUAPJ-UONOGXRCSA-N 2 2 297.324 2.517 20 30 CFEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C1CCC(C#N)CC1 ZINC000602518522 350912348 /nfs/dbraw/zinc/91/23/48/350912348.db2.gz PKDSCHQDKUXIOS-ABHNRTSZSA-N 2 2 285.435 2.831 20 30 CFEDLP COc1ccc([C@H](C[NH+](C)C)[NH2+]C[C@@H](C)CCC#N)cc1 ZINC000602653808 350962618 /nfs/dbraw/zinc/96/26/18/350962618.db2.gz PBHOHEWUJRPPTR-YOEHRIQHSA-N 2 2 289.423 2.827 20 30 CFEDLP N#CC1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000602710480 350992920 /nfs/dbraw/zinc/99/29/20/350992920.db2.gz LOXJQKKSPDMBGD-QDIHITRGSA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000602710480 350992923 /nfs/dbraw/zinc/99/29/23/350992923.db2.gz LOXJQKKSPDMBGD-QDIHITRGSA-N 2 2 261.413 2.675 20 30 CFEDLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(C#N)cs1 ZINC000603114490 351106118 /nfs/dbraw/zinc/10/61/18/351106118.db2.gz AXUKEMQZONUTDS-UHFFFAOYSA-N 2 2 292.452 2.713 20 30 CFEDLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(C#N)cs1 ZINC000603114490 351106122 /nfs/dbraw/zinc/10/61/22/351106122.db2.gz AXUKEMQZONUTDS-UHFFFAOYSA-N 2 2 292.452 2.713 20 30 CFEDLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000608861119 351479640 /nfs/dbraw/zinc/47/96/40/351479640.db2.gz UNGNHKPUHOFAFZ-INIZCTEOSA-N 2 2 287.407 2.553 20 30 CFEDLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000608861119 351479643 /nfs/dbraw/zinc/47/96/43/351479643.db2.gz UNGNHKPUHOFAFZ-INIZCTEOSA-N 2 2 287.407 2.553 20 30 CFEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610953441 351624423 /nfs/dbraw/zinc/62/44/23/351624423.db2.gz KYJDXVYHSHJTLZ-MRXNPFEDSA-N 2 2 296.374 2.600 20 30 CFEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610953441 351624426 /nfs/dbraw/zinc/62/44/26/351624426.db2.gz KYJDXVYHSHJTLZ-MRXNPFEDSA-N 2 2 296.374 2.600 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000611390426 351679050 /nfs/dbraw/zinc/67/90/50/351679050.db2.gz ZFOSNTQJRBKOOD-KRWDZBQOSA-N 2 2 280.375 2.812 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000611390427 351679133 /nfs/dbraw/zinc/67/91/33/351679133.db2.gz ZFOSNTQJRBKOOD-QGZVFWFLSA-N 2 2 280.375 2.812 20 30 CFEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000618567759 352811452 /nfs/dbraw/zinc/81/14/52/352811452.db2.gz DGLWQQQCHUEQBI-GJZGRUSLSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000619748631 353063539 /nfs/dbraw/zinc/06/35/39/353063539.db2.gz PFQHULJMSDVFLD-SMDDNHRTSA-N 2 2 289.810 2.926 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[N@H+]1C1CC1 ZINC000619748631 353063540 /nfs/dbraw/zinc/06/35/40/353063540.db2.gz PFQHULJMSDVFLD-SMDDNHRTSA-N 2 2 289.810 2.926 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156486204 188265001 /nfs/dbraw/zinc/26/50/01/188265001.db2.gz IQFUBLBHNMWNNX-PBHICJAKSA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156486204 188265002 /nfs/dbraw/zinc/26/50/02/188265002.db2.gz IQFUBLBHNMWNNX-PBHICJAKSA-N 2 2 280.375 2.838 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000622005817 353465414 /nfs/dbraw/zinc/46/54/14/353465414.db2.gz MUKJOLHEIVTKPA-DOTOQJQBSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000622005817 353465417 /nfs/dbraw/zinc/46/54/17/353465417.db2.gz MUKJOLHEIVTKPA-DOTOQJQBSA-N 2 2 272.392 2.565 20 30 CFEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC000042616560 372938578 /nfs/dbraw/zinc/93/85/78/372938578.db2.gz MICIJAWTOJIODC-UHFFFAOYSA-N 2 2 275.371 2.613 20 30 CFEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC000042616560 372938587 /nfs/dbraw/zinc/93/85/87/372938587.db2.gz MICIJAWTOJIODC-UHFFFAOYSA-N 2 2 275.371 2.613 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2C#N)CC[N@@H+]1C ZINC000123535115 220212488 /nfs/dbraw/zinc/21/24/88/220212488.db2.gz GXEKYWVGXBZBNL-MLGOLLRUSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2C#N)CC[N@H+]1C ZINC000123535115 220212491 /nfs/dbraw/zinc/21/24/91/220212491.db2.gz GXEKYWVGXBZBNL-MLGOLLRUSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)CC[NH+]1C ZINC000123535115 220212492 /nfs/dbraw/zinc/21/24/92/220212492.db2.gz GXEKYWVGXBZBNL-MLGOLLRUSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)CC[NH+]1C ZINC000123535115 220212495 /nfs/dbraw/zinc/21/24/95/220212495.db2.gz GXEKYWVGXBZBNL-MLGOLLRUSA-N 2 2 275.371 2.612 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188456 373791107 /nfs/dbraw/zinc/79/11/07/373791107.db2.gz ZWJDLNDVPIQPKB-DLBZAZTESA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000063188456 373791110 /nfs/dbraw/zinc/79/11/10/373791110.db2.gz ZWJDLNDVPIQPKB-DLBZAZTESA-N 2 2 269.392 2.665 20 30 CFEDLP CCCCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264091606 383695887 /nfs/dbraw/zinc/69/58/87/383695887.db2.gz LBWGNEKGOXZZKS-AWEZNQCLSA-N 2 2 292.427 2.511 20 30 CFEDLP CC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000264149704 383700483 /nfs/dbraw/zinc/70/04/83/383700483.db2.gz YZRXQVKVABGZDU-ZIAGYGMSSA-N 2 2 292.427 2.509 20 30 CFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000081568047 374705211 /nfs/dbraw/zinc/70/52/11/374705211.db2.gz BHKCYTCZZZRAGV-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000081568047 374705218 /nfs/dbraw/zinc/70/52/18/374705218.db2.gz BHKCYTCZZZRAGV-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000081568047 374705222 /nfs/dbraw/zinc/70/52/22/374705222.db2.gz BHKCYTCZZZRAGV-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000081568047 374705228 /nfs/dbraw/zinc/70/52/28/374705228.db2.gz BHKCYTCZZZRAGV-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nccs2)CC1 ZINC000093405889 375230144 /nfs/dbraw/zinc/23/01/44/375230144.db2.gz RLQMVDFPVSIMLQ-LBPRGKRZSA-N 2 2 265.426 2.834 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nccs2)CC1 ZINC000093405890 375231539 /nfs/dbraw/zinc/23/15/39/375231539.db2.gz RLQMVDFPVSIMLQ-GFCCVEGCSA-N 2 2 265.426 2.834 20 30 CFEDLP C[C@@H](C#N)C[N@H+](C)Cc1cccc(C[NH+](C)C[C@H](C)C#N)c1 ZINC000264205420 383709047 /nfs/dbraw/zinc/70/90/47/383709047.db2.gz KPRMEQOMSCUIRJ-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C[NH+](C)C[C@H](C)C#N)c1 ZINC000264205420 383709050 /nfs/dbraw/zinc/70/90/50/383709050.db2.gz KPRMEQOMSCUIRJ-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1cccc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000264205420 383709054 /nfs/dbraw/zinc/70/90/54/383709054.db2.gz KPRMEQOMSCUIRJ-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000264205420 383709059 /nfs/dbraw/zinc/70/90/59/383709059.db2.gz KPRMEQOMSCUIRJ-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000106246217 375795862 /nfs/dbraw/zinc/79/58/62/375795862.db2.gz KAVDVSFZZSXPPR-UHFFFAOYSA-N 2 2 298.430 2.829 20 30 CFEDLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000120920283 376721894 /nfs/dbraw/zinc/72/18/94/376721894.db2.gz VEOOEHVGBSHUFP-UHFFFAOYSA-N 2 2 298.415 2.645 20 30 CFEDLP C=CC[N@@H+](CCc1ccccc1)CCn1cc[nH+]c1 ZINC000131330319 377695486 /nfs/dbraw/zinc/69/54/86/377695486.db2.gz CSSUMSGAKAGYOP-UHFFFAOYSA-N 2 2 255.365 2.614 20 30 CFEDLP C=CC[N@H+](CCc1ccccc1)CCn1cc[nH+]c1 ZINC000131330319 377695488 /nfs/dbraw/zinc/69/54/88/377695488.db2.gz CSSUMSGAKAGYOP-UHFFFAOYSA-N 2 2 255.365 2.614 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000131395679 377704499 /nfs/dbraw/zinc/70/44/99/377704499.db2.gz CHJXMWFSFFYMNG-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000131395679 377704505 /nfs/dbraw/zinc/70/45/05/377704505.db2.gz CHJXMWFSFFYMNG-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529536918 383724505 /nfs/dbraw/zinc/72/45/05/383724505.db2.gz AGVWYICSRLKADC-NSHDSACASA-N 2 2 258.356 2.660 20 30 CFEDLP CCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135166088 378094571 /nfs/dbraw/zinc/09/45/71/378094571.db2.gz LXWCOJFSYMIDJS-UHFFFAOYSA-N 2 2 261.369 2.505 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000160593028 378784022 /nfs/dbraw/zinc/78/40/22/378784022.db2.gz GUXMWAGHAQXZTR-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000160593028 378784034 /nfs/dbraw/zinc/78/40/34/378784034.db2.gz GUXMWAGHAQXZTR-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000160593028 378784037 /nfs/dbraw/zinc/78/40/37/378784037.db2.gz GUXMWAGHAQXZTR-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)[C@H](C)C1 ZINC000160593028 378784043 /nfs/dbraw/zinc/78/40/43/378784043.db2.gz GUXMWAGHAQXZTR-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC#CCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000168237440 379084147 /nfs/dbraw/zinc/08/41/47/379084147.db2.gz LHAQKMQRYPZBGO-QGZVFWFLSA-N 2 2 256.393 2.654 20 30 CFEDLP CC#CCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000168237440 379084160 /nfs/dbraw/zinc/08/41/60/379084160.db2.gz LHAQKMQRYPZBGO-QGZVFWFLSA-N 2 2 256.393 2.654 20 30 CFEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000168938793 379100746 /nfs/dbraw/zinc/10/07/46/379100746.db2.gz BVQIYUSGAJBTIZ-UHFFFAOYSA-N 2 2 271.408 2.790 20 30 CFEDLP N#CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000170644082 379132201 /nfs/dbraw/zinc/13/22/01/379132201.db2.gz DLRCAWVWXUSNOR-UHFFFAOYSA-N 2 2 266.348 2.608 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000174208952 379844144 /nfs/dbraw/zinc/84/41/44/379844144.db2.gz JRFZXBSCBDQOOU-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000174208952 379844148 /nfs/dbraw/zinc/84/41/48/379844148.db2.gz JRFZXBSCBDQOOU-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP Cc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C#N ZINC000335749599 379828223 /nfs/dbraw/zinc/82/82/23/379828223.db2.gz KEFAYMHTPFBCFJ-MRXNPFEDSA-N 2 2 280.375 2.969 20 30 CFEDLP Cc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1C#N ZINC000335749599 379828226 /nfs/dbraw/zinc/82/82/26/379828226.db2.gz KEFAYMHTPFBCFJ-MRXNPFEDSA-N 2 2 280.375 2.969 20 30 CFEDLP N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336107365 380268304 /nfs/dbraw/zinc/26/83/04/380268304.db2.gz GIGQURKVZYPIHL-CYBMUJFWSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336107365 380268305 /nfs/dbraw/zinc/26/83/05/380268305.db2.gz GIGQURKVZYPIHL-CYBMUJFWSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1csc(C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000177684096 380367192 /nfs/dbraw/zinc/36/71/92/380367192.db2.gz DXZLNYUSVQDJFF-UHFFFAOYSA-N 2 2 282.372 2.600 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000178054463 380405209 /nfs/dbraw/zinc/40/52/09/380405209.db2.gz NMRFGGUBZWSYLF-NVXWUHKLSA-N 2 2 256.393 2.652 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000178054463 380405212 /nfs/dbraw/zinc/40/52/12/380405212.db2.gz NMRFGGUBZWSYLF-NVXWUHKLSA-N 2 2 256.393 2.652 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181715944 380874465 /nfs/dbraw/zinc/87/44/65/380874465.db2.gz MGIJWQXNFSMWME-HNNXBMFYSA-N 2 2 299.418 2.890 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358570718 380937321 /nfs/dbraw/zinc/93/73/21/380937321.db2.gz NZZCSZOUPQSROR-JSGCOSHPSA-N 2 2 287.382 2.832 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358570718 380937334 /nfs/dbraw/zinc/93/73/34/380937334.db2.gz NZZCSZOUPQSROR-JSGCOSHPSA-N 2 2 287.382 2.832 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354034586 381036563 /nfs/dbraw/zinc/03/65/63/381036563.db2.gz SNTIJYIKXWWVKZ-KRWDZBQOSA-N 2 2 279.343 2.607 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354034586 381036572 /nfs/dbraw/zinc/03/65/72/381036572.db2.gz SNTIJYIKXWWVKZ-KRWDZBQOSA-N 2 2 279.343 2.607 20 30 CFEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)Cc1cccc(C#N)c1 ZINC000290021466 381266348 /nfs/dbraw/zinc/26/63/48/381266348.db2.gz MRDWYNYPPMSSFN-UHFFFAOYSA-N 2 2 280.375 2.522 20 30 CFEDLP C=CC[N@H+](CCc1c[nH+]cn1C)Cc1cccc(C#N)c1 ZINC000290021466 381266353 /nfs/dbraw/zinc/26/63/53/381266353.db2.gz MRDWYNYPPMSSFN-UHFFFAOYSA-N 2 2 280.375 2.522 20 30 CFEDLP C=CC[N@H+](CCc1c[nH+]cn1C)CCc1ccccc1 ZINC000290160045 381323869 /nfs/dbraw/zinc/32/38/69/381323869.db2.gz XKQUKDXSEXMTTH-UHFFFAOYSA-N 2 2 269.392 2.693 20 30 CFEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)CCc1ccccc1 ZINC000290160045 381323875 /nfs/dbraw/zinc/32/38/75/381323875.db2.gz XKQUKDXSEXMTTH-UHFFFAOYSA-N 2 2 269.392 2.693 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347963460 381438180 /nfs/dbraw/zinc/43/81/80/381438180.db2.gz QODOTKSLRNURNL-KGLIPLIRSA-N 2 2 261.413 2.533 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347963460 381438184 /nfs/dbraw/zinc/43/81/84/381438184.db2.gz QODOTKSLRNURNL-KGLIPLIRSA-N 2 2 261.413 2.533 20 30 CFEDLP COc1cc(C#N)ccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000371691941 381680477 /nfs/dbraw/zinc/68/04/77/381680477.db2.gz DVLHWHARYSUAGK-UHFFFAOYSA-N 2 2 299.418 2.627 20 30 CFEDLP COc1cc(C#N)ccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000371691941 381680484 /nfs/dbraw/zinc/68/04/84/381680484.db2.gz DVLHWHARYSUAGK-UHFFFAOYSA-N 2 2 299.418 2.627 20 30 CFEDLP C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675954 381701289 /nfs/dbraw/zinc/70/12/89/381701289.db2.gz DZESIXAWNHOUCB-HRCADAONSA-N 2 2 288.439 2.673 20 30 CFEDLP C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675954 381701297 /nfs/dbraw/zinc/70/12/97/381701297.db2.gz DZESIXAWNHOUCB-HRCADAONSA-N 2 2 288.439 2.673 20 30 CFEDLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000343638966 381859822 /nfs/dbraw/zinc/85/98/22/381859822.db2.gz MENYZKWDAXIRCJ-UHFFFAOYSA-N 2 2 298.415 2.645 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000376034226 382117850 /nfs/dbraw/zinc/11/78/50/382117850.db2.gz XWJJEGOZORPIHW-GOSISDBHSA-N 2 2 293.414 2.856 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000376034226 382117856 /nfs/dbraw/zinc/11/78/56/382117856.db2.gz XWJJEGOZORPIHW-GOSISDBHSA-N 2 2 293.414 2.856 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000375466567 382088960 /nfs/dbraw/zinc/08/89/60/382088960.db2.gz FCNOGXLWHJFVLY-CGTJXYLNSA-N 2 2 292.467 2.822 20 30 CFEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358331418 382572720 /nfs/dbraw/zinc/57/27/20/382572720.db2.gz SQBUZWLCVPMWRD-KBMXLJTQSA-N 2 2 257.381 2.571 20 30 CFEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358331418 382572724 /nfs/dbraw/zinc/57/27/24/382572724.db2.gz SQBUZWLCVPMWRD-KBMXLJTQSA-N 2 2 257.381 2.571 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353750939 382626038 /nfs/dbraw/zinc/62/60/38/382626038.db2.gz PBFDXXIVVIOBCQ-GXTWGEPZSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353750939 382626041 /nfs/dbraw/zinc/62/60/41/382626041.db2.gz PBFDXXIVVIOBCQ-GXTWGEPZSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353750939 382626043 /nfs/dbraw/zinc/62/60/43/382626043.db2.gz PBFDXXIVVIOBCQ-GXTWGEPZSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353750939 382626045 /nfs/dbraw/zinc/62/60/45/382626045.db2.gz PBFDXXIVVIOBCQ-GXTWGEPZSA-N 2 2 277.437 2.924 20 30 CFEDLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000227595624 382838183 /nfs/dbraw/zinc/83/81/83/382838183.db2.gz FOOVQFRDUQPCGN-UHFFFAOYSA-N 2 2 263.360 2.517 20 30 CFEDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000227595624 382838184 /nfs/dbraw/zinc/83/81/84/382838184.db2.gz FOOVQFRDUQPCGN-UHFFFAOYSA-N 2 2 263.360 2.517 20 30 CFEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578263649 382905802 /nfs/dbraw/zinc/90/58/02/382905802.db2.gz OQEMKDQYCKDVIP-XJKSGUPXSA-N 2 2 280.375 2.842 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000442790476 382957606 /nfs/dbraw/zinc/95/76/06/382957606.db2.gz GSQPIEIDRAZQHZ-ZIAGYGMSSA-N 2 2 258.369 2.556 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000494451698 382913727 /nfs/dbraw/zinc/91/37/27/382913727.db2.gz GTMGNKFOUKMDTJ-HNNXBMFYSA-N 2 2 283.375 2.553 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000578398184 382917586 /nfs/dbraw/zinc/91/75/86/382917586.db2.gz GBWHSHZWACKANY-WBVHZDCISA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000578398184 382917589 /nfs/dbraw/zinc/91/75/89/382917589.db2.gz GBWHSHZWACKANY-WBVHZDCISA-N 2 2 283.419 2.933 20 30 CFEDLP C=C(Br)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246236541 383068767 /nfs/dbraw/zinc/06/87/67/383068767.db2.gz HFTRLDICYSIYCQ-ZYHUDNBSSA-N 2 2 284.201 2.675 20 30 CFEDLP C=C(Br)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246236541 383068770 /nfs/dbraw/zinc/06/87/70/383068770.db2.gz HFTRLDICYSIYCQ-ZYHUDNBSSA-N 2 2 284.201 2.675 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245681892 383022442 /nfs/dbraw/zinc/02/24/42/383022442.db2.gz PFXBTFSBZOYYRY-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245681892 383022448 /nfs/dbraw/zinc/02/24/48/383022448.db2.gz PFXBTFSBZOYYRY-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449142340 383181315 /nfs/dbraw/zinc/18/13/15/383181315.db2.gz NPKVQXFZTQXMQJ-HWOWSKLDSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449142340 383181318 /nfs/dbraw/zinc/18/13/18/383181318.db2.gz NPKVQXFZTQXMQJ-HWOWSKLDSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000248012334 383206545 /nfs/dbraw/zinc/20/65/45/383206545.db2.gz LKBXCTFXNLCZEN-BLLLJJGKSA-N 2 2 275.371 2.517 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000248012334 383206549 /nfs/dbraw/zinc/20/65/49/383206549.db2.gz LKBXCTFXNLCZEN-BLLLJJGKSA-N 2 2 275.371 2.517 20 30 CFEDLP C[C@@H](C#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563150390 383165837 /nfs/dbraw/zinc/16/58/37/383165837.db2.gz NBSTYHQXCKFXPQ-RDJZCZTQSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@@H](C#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563150390 383165839 /nfs/dbraw/zinc/16/58/39/383165839.db2.gz NBSTYHQXCKFXPQ-RDJZCZTQSA-N 2 2 283.419 2.933 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394580 383261592 /nfs/dbraw/zinc/26/15/92/383261592.db2.gz GQPKBPWOFKSLMP-HZPDHXFCSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394580 383261595 /nfs/dbraw/zinc/26/15/95/383261595.db2.gz GQPKBPWOFKSLMP-HZPDHXFCSA-N 2 2 268.445 2.558 20 30 CFEDLP N#Cc1ccc2[nH+]cc(CNc3cc4c(c[nH+]3)CCC4)n2c1 ZINC000339555150 383240722 /nfs/dbraw/zinc/24/07/22/383240722.db2.gz ICVLEGDYJAXTGY-UHFFFAOYSA-N 2 2 289.342 2.702 20 30 CFEDLP Cc1cc(NC[C@H](c2cccc(F)c2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425200276 383338653 /nfs/dbraw/zinc/33/86/53/383338653.db2.gz KJSJNEXKIZOSTG-QGZVFWFLSA-N 2 2 298.365 2.538 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)CC[C@H]21 ZINC000248914474 383307587 /nfs/dbraw/zinc/30/75/87/383307587.db2.gz ZEBLKERRCLHFJI-NVXWUHKLSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)CC[C@H]21 ZINC000248914474 383307589 /nfs/dbraw/zinc/30/75/89/383307589.db2.gz ZEBLKERRCLHFJI-NVXWUHKLSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)CC[C@H]21 ZINC000248914474 383307594 /nfs/dbraw/zinc/30/75/94/383307594.db2.gz ZEBLKERRCLHFJI-NVXWUHKLSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CC[C@H]21 ZINC000248914474 383307599 /nfs/dbraw/zinc/30/75/99/383307599.db2.gz ZEBLKERRCLHFJI-NVXWUHKLSA-N 2 2 287.382 2.613 20 30 CFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000450376214 383392654 /nfs/dbraw/zinc/39/26/54/383392654.db2.gz GJYFIPGWCWONJY-CQSZACIVSA-N 2 2 272.396 2.776 20 30 CFEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450376214 383392658 /nfs/dbraw/zinc/39/26/58/383392658.db2.gz GJYFIPGWCWONJY-CQSZACIVSA-N 2 2 272.396 2.776 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000252451941 383408143 /nfs/dbraw/zinc/40/81/43/383408143.db2.gz DHJYTOVNINOWRK-SJORKVTESA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000252451941 383408149 /nfs/dbraw/zinc/40/81/49/383408149.db2.gz DHJYTOVNINOWRK-SJORKVTESA-N 2 2 269.392 2.665 20 30 CFEDLP CC#CCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000482162050 383431412 /nfs/dbraw/zinc/43/14/12/383431412.db2.gz FXDCCUPMHHZLAT-FUHWJXTLSA-N 2 2 270.420 2.900 20 30 CFEDLP CC#CCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000482162050 383431417 /nfs/dbraw/zinc/43/14/17/383431417.db2.gz FXDCCUPMHHZLAT-FUHWJXTLSA-N 2 2 270.420 2.900 20 30 CFEDLP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261879568 383574229 /nfs/dbraw/zinc/57/42/29/383574229.db2.gz QOVOQZDWHZKVRX-INIZCTEOSA-N 2 2 289.379 2.582 20 30 CFEDLP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261879568 383574234 /nfs/dbraw/zinc/57/42/34/383574234.db2.gz QOVOQZDWHZKVRX-INIZCTEOSA-N 2 2 289.379 2.582 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2C(C)C)CC1 ZINC000281000229 195065022 /nfs/dbraw/zinc/06/50/22/195065022.db2.gz VXTJTAOPVDEZFX-UHFFFAOYSA-N 2 2 276.428 2.594 20 30 CFEDLP C#CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000270523717 385134068 /nfs/dbraw/zinc/13/40/68/385134068.db2.gz MTRBJVQMOJZTME-UHFFFAOYSA-N 2 2 256.393 2.606 20 30 CFEDLP C#CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000270523717 385134072 /nfs/dbraw/zinc/13/40/72/385134072.db2.gz MTRBJVQMOJZTME-UHFFFAOYSA-N 2 2 256.393 2.606 20 30 CFEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1F ZINC000281179690 195137794 /nfs/dbraw/zinc/13/77/94/195137794.db2.gz HQTUOCXAMFVBNK-UHFFFAOYSA-N 2 2 275.371 2.615 20 30 CFEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1F ZINC000281179690 195137796 /nfs/dbraw/zinc/13/77/96/195137796.db2.gz HQTUOCXAMFVBNK-UHFFFAOYSA-N 2 2 275.371 2.615 20 30 CFEDLP C#Cc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000283722609 385493888 /nfs/dbraw/zinc/49/38/88/385493888.db2.gz BHONTWUXZGAFHN-UHFFFAOYSA-N 2 2 256.393 2.630 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000273094242 385671741 /nfs/dbraw/zinc/67/17/41/385671741.db2.gz UDRAYLKZUFXCQA-GDBMZVCRSA-N 2 2 257.381 2.543 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000273094242 385671747 /nfs/dbraw/zinc/67/17/47/385671747.db2.gz UDRAYLKZUFXCQA-GDBMZVCRSA-N 2 2 257.381 2.543 20 30 CFEDLP COc1cc(C[NH2+]CCc2cc[nH+]cc2C)ccc1C#N ZINC000281750285 195364584 /nfs/dbraw/zinc/36/45/84/195364584.db2.gz QZBOTRAULGXUST-UHFFFAOYSA-N 2 2 281.359 2.603 20 30 CFEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)CCC2 ZINC000372591947 393452893 /nfs/dbraw/zinc/45/28/93/393452893.db2.gz XYUQWTZWGRCGSO-MRXNPFEDSA-N 2 2 280.375 2.730 20 30 CFEDLP CC(C)(CCC#N)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374272789 393490782 /nfs/dbraw/zinc/49/07/82/393490782.db2.gz XURNPHPUUHXQKH-UHFFFAOYSA-N 2 2 260.385 2.919 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000186288875 393544111 /nfs/dbraw/zinc/54/41/11/393544111.db2.gz RNNDOEUGPMLYMA-UHFFFAOYSA-N 2 2 271.408 2.829 20 30 CFEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000338953160 393807252 /nfs/dbraw/zinc/80/72/52/393807252.db2.gz RBLDTAZZTDDSMB-HNNXBMFYSA-N 2 2 298.390 2.744 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C[C@H]1n1cc[nH+]c1 ZINC000245729128 393825419 /nfs/dbraw/zinc/82/54/19/393825419.db2.gz FACOMTLLLBHBAS-SWLSCSKDSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@H]1n1cc[nH+]c1 ZINC000245729128 393825424 /nfs/dbraw/zinc/82/54/24/393825424.db2.gz FACOMTLLLBHBAS-SWLSCSKDSA-N 2 2 286.404 2.899 20 30 CFEDLP C[N@H+](CCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480779 393900126 /nfs/dbraw/zinc/90/01/26/393900126.db2.gz ZNZIYJZQQXAOAH-UHFFFAOYSA-N 2 2 271.408 2.887 20 30 CFEDLP C[N@@H+](CCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480779 393900127 /nfs/dbraw/zinc/90/01/27/393900127.db2.gz ZNZIYJZQQXAOAH-UHFFFAOYSA-N 2 2 271.408 2.887 20 30 CFEDLP C=CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282015816 394110842 /nfs/dbraw/zinc/11/08/42/394110842.db2.gz JYFZVONHBSSFAE-CQSZACIVSA-N 2 2 259.397 2.975 20 30 CFEDLP C=CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282015816 394110846 /nfs/dbraw/zinc/11/08/46/394110846.db2.gz JYFZVONHBSSFAE-CQSZACIVSA-N 2 2 259.397 2.975 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000439444777 394115756 /nfs/dbraw/zinc/11/57/56/394115756.db2.gz CGRLQPIVVHGNMC-AWEZNQCLSA-N 2 2 291.826 2.985 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000439444777 394115759 /nfs/dbraw/zinc/11/57/59/394115759.db2.gz CGRLQPIVVHGNMC-AWEZNQCLSA-N 2 2 291.826 2.985 20 30 CFEDLP C[NH+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000439444777 394115762 /nfs/dbraw/zinc/11/57/62/394115762.db2.gz CGRLQPIVVHGNMC-AWEZNQCLSA-N 2 2 291.826 2.985 20 30 CFEDLP C[NH+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000439444777 394115764 /nfs/dbraw/zinc/11/57/64/394115764.db2.gz CGRLQPIVVHGNMC-AWEZNQCLSA-N 2 2 291.826 2.985 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450731432 394328988 /nfs/dbraw/zinc/32/89/88/394328988.db2.gz ZYJKKMZJWYCPIK-GJZGRUSLSA-N 2 2 275.440 2.923 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450731432 394328991 /nfs/dbraw/zinc/32/89/91/394328991.db2.gz ZYJKKMZJWYCPIK-GJZGRUSLSA-N 2 2 275.440 2.923 20 30 CFEDLP C=CCCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000516762452 394370239 /nfs/dbraw/zinc/37/02/39/394370239.db2.gz AEHAWADJSMXAHQ-HNNXBMFYSA-N 2 2 287.407 2.570 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000285524265 542970688 /nfs/dbraw/zinc/97/06/88/542970688.db2.gz FBYIIROQLGXAIL-GJZGRUSLSA-N 2 2 276.428 2.759 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000285524263 542970368 /nfs/dbraw/zinc/97/03/68/542970368.db2.gz FBYIIROQLGXAIL-CABCVRRESA-N 2 2 276.428 2.759 20 30 CFEDLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C#N)cc1 ZINC000367368647 156320887 /nfs/dbraw/zinc/32/08/87/156320887.db2.gz VOVPHFPRKDGGFS-ZDUSSCGKSA-N 2 2 280.375 2.942 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000657658122 413827080 /nfs/dbraw/zinc/82/70/80/413827080.db2.gz NUBYHGZNSCEGDT-AEFFLSMTSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000657658122 413827090 /nfs/dbraw/zinc/82/70/90/413827090.db2.gz NUBYHGZNSCEGDT-AEFFLSMTSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)CCCOC ZINC000657888111 414027406 /nfs/dbraw/zinc/02/74/06/414027406.db2.gz JLGIAHUZLWIHIA-JKSUJKDBSA-N 2 2 268.445 2.679 20 30 CFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)CCCOC ZINC000657888111 414027408 /nfs/dbraw/zinc/02/74/08/414027408.db2.gz JLGIAHUZLWIHIA-JKSUJKDBSA-N 2 2 268.445 2.679 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000657899304 414040689 /nfs/dbraw/zinc/04/06/89/414040689.db2.gz BIOIPSUGRRXDFP-WBVHZDCISA-N 2 2 280.456 2.822 20 30 CFEDLP C=CCCC1(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CCCC1 ZINC000665236918 414194023 /nfs/dbraw/zinc/19/40/23/414194023.db2.gz WKLCCCUXYCLIFS-JKSUJKDBSA-N 2 2 280.456 2.870 20 30 CFEDLP C[NH+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000346752322 225911844 /nfs/dbraw/zinc/91/18/44/225911844.db2.gz QPKWLMVRVZVQPU-UHFFFAOYSA-N 2 2 271.408 2.542 20 30 CFEDLP Cc1ccc(CCC[NH+]2CCC(C)(C#N)CC2)c[nH+]1 ZINC000354606807 227047575 /nfs/dbraw/zinc/04/75/75/227047575.db2.gz SJRXRPOOXVYBKD-UHFFFAOYSA-N 2 2 257.381 2.948 20 30 CFEDLP Cc1ccc(CCC[N@@H+](C[C@H](C)C#N)C2CC2)c[nH+]1 ZINC000353622849 228133823 /nfs/dbraw/zinc/13/38/23/228133823.db2.gz KOBZRAWKBRQLIF-CYBMUJFWSA-N 2 2 257.381 2.947 20 30 CFEDLP Cc1ccc(CCC[N@H+](C[C@H](C)C#N)C2CC2)c[nH+]1 ZINC000353622849 228133825 /nfs/dbraw/zinc/13/38/25/228133825.db2.gz KOBZRAWKBRQLIF-CYBMUJFWSA-N 2 2 257.381 2.947 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000176500341 261290777 /nfs/dbraw/zinc/29/07/77/261290777.db2.gz YCWOFJVRBUYOBB-WBVHZDCISA-N 2 2 256.393 2.510 20 30 CFEDLP C#CCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000176500341 261290778 /nfs/dbraw/zinc/29/07/78/261290778.db2.gz YCWOFJVRBUYOBB-WBVHZDCISA-N 2 2 256.393 2.510 20 30 CFEDLP N#CCCC[NH2+][C@H]1C[C@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000368582667 262091957 /nfs/dbraw/zinc/09/19/57/262091957.db2.gz GHHKRJVUMZJJSS-ZWKOTPCHSA-N 2 2 283.419 2.933 20 30 CFEDLP N#CCCC[NH2+][C@H]1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000368582667 262091961 /nfs/dbraw/zinc/09/19/61/262091961.db2.gz GHHKRJVUMZJJSS-ZWKOTPCHSA-N 2 2 283.419 2.933 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@H+](CC#N)C1CCCC1 ZINC000161976408 262323021 /nfs/dbraw/zinc/32/30/21/262323021.db2.gz XDZWGUYDDZFBJO-UHFFFAOYSA-N 2 2 260.385 2.740 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@@H+](CC#N)C1CCCC1 ZINC000161976408 262323022 /nfs/dbraw/zinc/32/30/22/262323022.db2.gz XDZWGUYDDZFBJO-UHFFFAOYSA-N 2 2 260.385 2.740 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CCCC#N)C[N@H+](Cc2ccccc2)C1 ZINC000274410312 263023948 /nfs/dbraw/zinc/02/39/48/263023948.db2.gz ZVQNQJBCBBPSDV-RDJZCZTQSA-N 2 2 271.408 2.790 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CCCC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000274410312 263023949 /nfs/dbraw/zinc/02/39/49/263023949.db2.gz ZVQNQJBCBBPSDV-RDJZCZTQSA-N 2 2 271.408 2.790 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1Cl ZINC000414929469 263135763 /nfs/dbraw/zinc/13/57/63/263135763.db2.gz NXYUPAUYDLFSCL-WFASDCNBSA-N 2 2 294.826 2.992 20 30 CFEDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCC#N ZINC000299217060 263235638 /nfs/dbraw/zinc/23/56/38/263235638.db2.gz HKNSCJXTROIIQJ-GJZGRUSLSA-N 2 2 271.408 2.646 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000367589971 267102664 /nfs/dbraw/zinc/10/26/64/267102664.db2.gz RSWOFGOXFZURSJ-OAGGEKHMSA-N 2 2 290.407 2.740 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000367589971 267102666 /nfs/dbraw/zinc/10/26/66/267102666.db2.gz RSWOFGOXFZURSJ-OAGGEKHMSA-N 2 2 290.407 2.740 20 30 CFEDLP C=CCCCCC[NH+]1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000368472978 267175503 /nfs/dbraw/zinc/17/55/03/267175503.db2.gz CECJDYUNMHJMSE-IAGOWNOFSA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[NH+]1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000368472978 267175507 /nfs/dbraw/zinc/17/55/07/267175507.db2.gz CECJDYUNMHJMSE-IAGOWNOFSA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[N@H+]1CCC[C@@H]1C[NH+]1CCC[C@@H]1CO ZINC000368472978 267175511 /nfs/dbraw/zinc/17/55/11/267175511.db2.gz CECJDYUNMHJMSE-IAGOWNOFSA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCC[C@@H]1CO ZINC000368472978 267175515 /nfs/dbraw/zinc/17/55/15/267175515.db2.gz CECJDYUNMHJMSE-IAGOWNOFSA-N 2 2 280.456 2.654 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCC#N ZINC000371068667 267349339 /nfs/dbraw/zinc/34/93/39/267349339.db2.gz IHSJARLPGDKFIK-AWEZNQCLSA-N 2 2 260.385 2.775 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCC#N ZINC000371068667 267349341 /nfs/dbraw/zinc/34/93/41/267349341.db2.gz IHSJARLPGDKFIK-AWEZNQCLSA-N 2 2 260.385 2.775 20 30 CFEDLP C=C(C)C[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000305828076 268005324 /nfs/dbraw/zinc/00/53/24/268005324.db2.gz UAUBQWSIILLYQO-HNNXBMFYSA-N 2 2 287.407 2.522 20 30 CFEDLP C=C(C)C[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000305828076 268005326 /nfs/dbraw/zinc/00/53/26/268005326.db2.gz UAUBQWSIILLYQO-HNNXBMFYSA-N 2 2 287.407 2.522 20 30 CFEDLP N#Cc1cccc(C[N@H+](CC[NH3+])CCc2ccccc2)c1 ZINC000517033653 270396163 /nfs/dbraw/zinc/39/61/63/270396163.db2.gz LKODBQHHHAHSQQ-UHFFFAOYSA-N 2 2 279.387 2.562 20 30 CFEDLP N#Cc1cccc(C[N@@H+](CC[NH3+])CCc2ccccc2)c1 ZINC000517033653 270396165 /nfs/dbraw/zinc/39/61/65/270396165.db2.gz LKODBQHHHAHSQQ-UHFFFAOYSA-N 2 2 279.387 2.562 20 30 CFEDLP N#Cc1c(F)cccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336566652 274917766 /nfs/dbraw/zinc/91/77/66/274917766.db2.gz FJHDDULOELEQLH-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000192121881 275388784 /nfs/dbraw/zinc/38/87/84/275388784.db2.gz ZNPSRPVYZZVWBC-QUCCMNQESA-N 2 2 294.442 2.987 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000192121881 275388785 /nfs/dbraw/zinc/38/87/85/275388785.db2.gz ZNPSRPVYZZVWBC-QUCCMNQESA-N 2 2 294.442 2.987 20 30 CFEDLP C(#Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000192121881 275388786 /nfs/dbraw/zinc/38/87/86/275388786.db2.gz ZNPSRPVYZZVWBC-QUCCMNQESA-N 2 2 294.442 2.987 20 30 CFEDLP C(#Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000192121881 275388787 /nfs/dbraw/zinc/38/87/87/275388787.db2.gz ZNPSRPVYZZVWBC-QUCCMNQESA-N 2 2 294.442 2.987 20 30 CFEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C2 ZINC000333115760 277271110 /nfs/dbraw/zinc/27/11/10/277271110.db2.gz UBLRDZWLTAGIBQ-MCIONIFRSA-N 2 2 286.423 2.777 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000268786759 278276962 /nfs/dbraw/zinc/27/69/62/278276962.db2.gz CUTFBGRTVMOIJR-GDZNZVCISA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000268786759 278276963 /nfs/dbraw/zinc/27/69/63/278276963.db2.gz CUTFBGRTVMOIJR-GDZNZVCISA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000129597811 278284899 /nfs/dbraw/zinc/28/48/99/278284899.db2.gz DZZFBRNPQXGYOF-WWGRRREGSA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000129597811 278284901 /nfs/dbraw/zinc/28/49/01/278284901.db2.gz DZZFBRNPQXGYOF-WWGRRREGSA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[N@@H+]1C1CC1 ZINC000334735797 280008364 /nfs/dbraw/zinc/00/83/64/280008364.db2.gz PUQTYKADXWAFSW-REWIBIJMSA-N 2 2 261.413 2.674 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[N@H+]1C1CC1 ZINC000334735797 280008367 /nfs/dbraw/zinc/00/83/67/280008367.db2.gz PUQTYKADXWAFSW-REWIBIJMSA-N 2 2 261.413 2.674 20 30 CFEDLP Cc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)[nH+]c1 ZINC000157452295 289955992 /nfs/dbraw/zinc/95/59/92/289955992.db2.gz OSONQLNHDNNOFF-UHFFFAOYSA-N 2 2 263.304 2.522 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000278533997 328226393 /nfs/dbraw/zinc/22/63/93/328226393.db2.gz FMINOWBFMXNBRL-RBSFLKMASA-N 2 2 270.380 2.508 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000278533997 328226395 /nfs/dbraw/zinc/22/63/95/328226395.db2.gz FMINOWBFMXNBRL-RBSFLKMASA-N 2 2 270.380 2.508 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000278533994 328226344 /nfs/dbraw/zinc/22/63/44/328226344.db2.gz FMINOWBFMXNBRL-QLFBSQMISA-N 2 2 270.380 2.508 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000278533994 328226346 /nfs/dbraw/zinc/22/63/46/328226346.db2.gz FMINOWBFMXNBRL-QLFBSQMISA-N 2 2 270.380 2.508 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000569988439 322508376 /nfs/dbraw/zinc/50/83/76/322508376.db2.gz KUMZKZNRJMHPAO-BWTSREIZSA-N 2 2 295.430 2.911 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000569988440 322508394 /nfs/dbraw/zinc/50/83/94/322508394.db2.gz KUMZKZNRJMHPAO-REPLKXPHSA-N 2 2 295.430 2.911 20 30 CFEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CC(C)(C)CCC#N)CCC2 ZINC000377830944 329030750 /nfs/dbraw/zinc/03/07/50/329030750.db2.gz INXBFZLXYNGBJI-CQSZACIVSA-N 2 2 274.412 2.989 20 30 CFEDLP C=CCCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257873 329182533 /nfs/dbraw/zinc/18/25/33/329182533.db2.gz WZPIVYUCSNDSKN-UHFFFAOYSA-N 2 2 287.451 2.987 20 30 CFEDLP C=CCCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257873 329182534 /nfs/dbraw/zinc/18/25/34/329182534.db2.gz WZPIVYUCSNDSKN-UHFFFAOYSA-N 2 2 287.451 2.987 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCCC3)CC1 ZINC000181716650 329236016 /nfs/dbraw/zinc/23/60/16/329236016.db2.gz LOEADEXIJHFVRX-IAGOWNOFSA-N 2 2 292.467 2.964 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000181716689 329236056 /nfs/dbraw/zinc/23/60/56/329236056.db2.gz VQVLAJDWHGCYEQ-JKSUJKDBSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000185221731 329268836 /nfs/dbraw/zinc/26/88/36/329268836.db2.gz CJNZMHLAIFSWLT-CVEARBPZSA-N 2 2 280.456 2.819 20 30 CFEDLP C=C(C)CC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000572029515 329938803 /nfs/dbraw/zinc/93/88/03/329938803.db2.gz WIBIFTFQRGBIDR-OAHLLOKOSA-N 2 2 287.407 2.570 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422857012 330157770 /nfs/dbraw/zinc/15/77/70/330157770.db2.gz GJMCUBTUVGYETO-OKZBNKHCSA-N 3 2 291.483 2.537 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422976694 330162240 /nfs/dbraw/zinc/16/22/40/330162240.db2.gz IQPROECMIYQPFC-RCCFBDPRSA-N 3 2 291.483 2.537 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453341833 331119173 /nfs/dbraw/zinc/11/91/73/331119173.db2.gz DACAGVRTIGDTKJ-XKQJLSEDSA-N 2 2 283.375 2.866 20 30 CFEDLP Cc1cc[nH+]c(N2CC[NH+](CCCC(C)(C)C#N)CC2)c1 ZINC000166122786 331306607 /nfs/dbraw/zinc/30/66/07/331306607.db2.gz JOPAWBWWFGUKMG-UHFFFAOYSA-N 2 2 286.423 2.842 20 30 CFEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000491619071 332245237 /nfs/dbraw/zinc/24/52/37/332245237.db2.gz FFZIZWBDTLQQFT-KRWDZBQOSA-N 2 2 281.403 2.524 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726278 333453830 /nfs/dbraw/zinc/45/38/30/333453830.db2.gz DSTVDYFTPNSFAC-INIZCTEOSA-N 2 2 280.456 2.918 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000135749783 334137903 /nfs/dbraw/zinc/13/79/03/334137903.db2.gz QEPOIEJWSHDHRR-RDJZCZTQSA-N 2 2 258.409 2.858 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000135749783 334137904 /nfs/dbraw/zinc/13/79/04/334137904.db2.gz QEPOIEJWSHDHRR-RDJZCZTQSA-N 2 2 258.409 2.858 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000248875434 334320448 /nfs/dbraw/zinc/32/04/48/334320448.db2.gz JESBVCIUOUJGLN-ZACQAIPSSA-N 2 2 275.440 2.923 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000248875434 334320449 /nfs/dbraw/zinc/32/04/49/334320449.db2.gz JESBVCIUOUJGLN-ZACQAIPSSA-N 2 2 275.440 2.923 20 30 CFEDLP Cc1cc[nH+]cc1CCC[NH+]1CCC(CC#N)CC1 ZINC000565801504 334598295 /nfs/dbraw/zinc/59/82/95/334598295.db2.gz OGIHGKJVXZYSJJ-UHFFFAOYSA-N 2 2 257.381 2.948 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](C#N)CCC#N ZINC000576508314 335212625 /nfs/dbraw/zinc/21/26/25/335212625.db2.gz BLIQGEHAVRJNOE-OAHLLOKOSA-N 2 2 295.390 2.768 20 30 CFEDLP C[N@@H+]1CCC[C@@H](C[NH2+]CCC#N)[C@H]1c1cccs1 ZINC000577216850 335324455 /nfs/dbraw/zinc/32/44/55/335324455.db2.gz VSOHZZFHPURNHJ-JSGCOSHPSA-N 2 2 263.410 2.634 20 30 CFEDLP C[N@H+]1CCC[C@@H](C[NH2+]CCC#N)[C@H]1c1cccs1 ZINC000577216850 335324456 /nfs/dbraw/zinc/32/44/56/335324456.db2.gz VSOHZZFHPURNHJ-JSGCOSHPSA-N 2 2 263.410 2.634 20 30 CFEDLP C=C(Br)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000052441463 518581521 /nfs/dbraw/zinc/58/15/21/518581521.db2.gz ZRFDCXGELAQONJ-UHFFFAOYSA-N 2 2 287.245 2.703 20 30 CFEDLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000166228722 525673909 /nfs/dbraw/zinc/67/39/09/525673909.db2.gz KAIALQMRNJCAJD-UHFFFAOYSA-N 2 2 292.386 2.584 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C)s2)CC1 ZINC000106245567 526604259 /nfs/dbraw/zinc/60/42/59/526604259.db2.gz XAVQQLXAGFDZNA-UHFFFAOYSA-N 2 2 265.426 2.582 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335177480 526691255 /nfs/dbraw/zinc/69/12/55/526691255.db2.gz HKGVRBVUMCPRNJ-RDJZCZTQSA-N 2 2 269.392 2.667 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344356220 526889503 /nfs/dbraw/zinc/88/95/03/526889503.db2.gz MHSBCOFGAHOWRT-WMLDXEAASA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344356220 526889507 /nfs/dbraw/zinc/88/95/07/526889507.db2.gz MHSBCOFGAHOWRT-WMLDXEAASA-N 2 2 274.408 2.824 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCC(O)CC1)C(C)C ZINC000353459481 527650782 /nfs/dbraw/zinc/65/07/82/527650782.db2.gz HXJZXHGRDPOTSQ-OFLPRAFFSA-N 2 2 280.456 2.578 20 30 CFEDLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423265816 528310674 /nfs/dbraw/zinc/31/06/74/528310674.db2.gz RKBXAURJAQHUFY-RISCZKNCSA-N 2 2 263.360 2.721 20 30 CFEDLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423302903 528824089 /nfs/dbraw/zinc/82/40/89/528824089.db2.gz WGFMFQUFJCXJPC-YPMHNXCESA-N 2 2 263.360 2.865 20 30 CFEDLP C#CC[N@@H+](CCC[NH+](CC)CC)Cc1ccc(F)cc1 ZINC000727757928 574064261 /nfs/dbraw/zinc/06/42/61/574064261.db2.gz FFULJSGMOILTMM-UHFFFAOYSA-N 2 2 276.399 2.993 20 30 CFEDLP C#CC[N@H+](CCC[NH+](CC)CC)Cc1ccc(F)cc1 ZINC000727757928 574064263 /nfs/dbraw/zinc/06/42/63/574064263.db2.gz FFULJSGMOILTMM-UHFFFAOYSA-N 2 2 276.399 2.993 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000892105143 617952948 /nfs/dbraw/zinc/95/29/48/617952948.db2.gz JCBFBRMZLCLFNQ-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000892105143 617952950 /nfs/dbraw/zinc/95/29/50/617952950.db2.gz JCBFBRMZLCLFNQ-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000892105143 617952953 /nfs/dbraw/zinc/95/29/53/617952953.db2.gz JCBFBRMZLCLFNQ-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000892105143 617952954 /nfs/dbraw/zinc/95/29/54/617952954.db2.gz JCBFBRMZLCLFNQ-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000892105141 617953141 /nfs/dbraw/zinc/95/31/41/617953141.db2.gz JCBFBRMZLCLFNQ-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000892105141 617953142 /nfs/dbraw/zinc/95/31/42/617953142.db2.gz JCBFBRMZLCLFNQ-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000892105141 617953145 /nfs/dbraw/zinc/95/31/45/617953145.db2.gz JCBFBRMZLCLFNQ-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C#N)c2)[C@H](C)C1 ZINC000892105141 617953147 /nfs/dbraw/zinc/95/31/47/617953147.db2.gz JCBFBRMZLCLFNQ-IUODEOHRSA-N 2 2 277.437 2.782 20 30 CFEDLP N#C[C@H]1CC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895112790 618315530 /nfs/dbraw/zinc/31/55/30/618315530.db2.gz RXUPRIAYTNCOBZ-YHUYYLMFSA-N 2 2 284.407 2.850 20 30 CFEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000895380053 618558986 /nfs/dbraw/zinc/55/89/86/618558986.db2.gz NWGDBNWVARVHHK-RHSMWYFYSA-N 2 2 286.423 2.505 20 30 CFEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000895380053 618558989 /nfs/dbraw/zinc/55/89/89/618558989.db2.gz NWGDBNWVARVHHK-RHSMWYFYSA-N 2 2 286.423 2.505 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892881358 618762620 /nfs/dbraw/zinc/76/26/20/618762620.db2.gz UXAHUFFCDSTZBY-UHFFFAOYSA-N 2 2 280.799 2.786 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000931620098 619062044 /nfs/dbraw/zinc/06/20/44/619062044.db2.gz DCZFDYIFIIFILO-MSOLQXFVSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000931620098 619062046 /nfs/dbraw/zinc/06/20/46/619062046.db2.gz DCZFDYIFIIFILO-MSOLQXFVSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000931620098 619062049 /nfs/dbraw/zinc/06/20/49/619062049.db2.gz DCZFDYIFIIFILO-MSOLQXFVSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000931620098 619062051 /nfs/dbraw/zinc/06/20/51/619062051.db2.gz DCZFDYIFIIFILO-MSOLQXFVSA-N 2 2 283.419 2.844 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000924983634 619316825 /nfs/dbraw/zinc/31/68/25/619316825.db2.gz HQMIRDBXEFRDHJ-INIZCTEOSA-N 2 2 278.440 2.718 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925173211 620004808 /nfs/dbraw/zinc/00/48/08/620004808.db2.gz XKABAQZVFQFOIO-OLZOCXBDSA-N 2 2 260.385 2.678 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841759254 620254202 /nfs/dbraw/zinc/25/42/02/620254202.db2.gz XTUDSGKGADDGRC-GFCCVEGCSA-N 2 2 280.799 2.651 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841759254 620254204 /nfs/dbraw/zinc/25/42/04/620254204.db2.gz XTUDSGKGADDGRC-GFCCVEGCSA-N 2 2 280.799 2.651 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000924670997 620437664 /nfs/dbraw/zinc/43/76/64/620437664.db2.gz DZAOVNJPLHMHOY-ZIAGYGMSSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000924670997 620437665 /nfs/dbraw/zinc/43/76/65/620437665.db2.gz DZAOVNJPLHMHOY-ZIAGYGMSSA-N 2 2 251.418 2.636 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927103864 620453680 /nfs/dbraw/zinc/45/36/80/620453680.db2.gz UJDIGGFKXXFFOV-WBVHZDCISA-N 2 2 280.456 2.964 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927103864 620453681 /nfs/dbraw/zinc/45/36/81/620453681.db2.gz UJDIGGFKXXFFOV-WBVHZDCISA-N 2 2 280.456 2.964 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000902483885 621110281 /nfs/dbraw/zinc/11/02/81/621110281.db2.gz SKVPZHVCROCLAU-XJKSGUPXSA-N 2 2 257.381 2.741 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902894170 621201364 /nfs/dbraw/zinc/20/13/64/621201364.db2.gz JHLPXLVLRINTNU-CABCVRRESA-N 2 2 285.391 2.708 20 30 CFEDLP C=CCC[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)[C@H]1CCCO1 ZINC000903197455 621282440 /nfs/dbraw/zinc/28/24/40/621282440.db2.gz OWPKYCAPIBHWIK-DLBZAZTESA-N 2 2 289.423 2.751 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000903424837 621380160 /nfs/dbraw/zinc/38/01/60/621380160.db2.gz IOBOREFVCVMEGC-PXAZEXFGSA-N 2 2 271.408 2.734 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000903424837 621380163 /nfs/dbraw/zinc/38/01/63/621380163.db2.gz IOBOREFVCVMEGC-PXAZEXFGSA-N 2 2 271.408 2.734 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000903424840 621380170 /nfs/dbraw/zinc/38/01/70/621380170.db2.gz IOBOREFVCVMEGC-YVEFUNNKSA-N 2 2 271.408 2.734 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000903424840 621380173 /nfs/dbraw/zinc/38/01/73/621380173.db2.gz IOBOREFVCVMEGC-YVEFUNNKSA-N 2 2 271.408 2.734 20 30 CFEDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903454927 621387976 /nfs/dbraw/zinc/38/79/76/621387976.db2.gz OAKORVGMTYRCJS-UEKVPHQBSA-N 2 2 277.799 2.688 20 30 CFEDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1csc(C#N)c1 ZINC000921496673 624947867 /nfs/dbraw/zinc/94/78/67/624947867.db2.gz YGFXNLYTDVYQGX-CYBMUJFWSA-N 2 2 277.437 2.974 20 30 CFEDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1csc(C#N)c1 ZINC000921496673 624947868 /nfs/dbraw/zinc/94/78/68/624947868.db2.gz YGFXNLYTDVYQGX-CYBMUJFWSA-N 2 2 277.437 2.974 20 30 CFEDLP CCCCCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000760873744 626780061 /nfs/dbraw/zinc/78/00/61/626780061.db2.gz CPGGXFGZXSUGOX-UHFFFAOYSA-N 2 2 264.417 2.513 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775385736 628017971 /nfs/dbraw/zinc/01/79/71/628017971.db2.gz MNAJHKWTLLHDPX-QLFBSQMISA-N 2 2 298.521 2.606 20 30 CFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC(C)(C)C)cc1 ZINC000783559775 628720817 /nfs/dbraw/zinc/72/08/17/628720817.db2.gz TYILWFKRCKPVBF-UHFFFAOYSA-N 2 2 277.412 2.821 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000819022431 632932494 /nfs/dbraw/zinc/93/24/94/632932494.db2.gz NGYGINLJFOOFSP-MRXNPFEDSA-N 2 2 294.826 2.613 20 30 CFEDLP c1cn(CC[NH+]=C(Nc2ccccc2)N2CCCCC2)c[nH+]1 ZINC000848981422 633415157 /nfs/dbraw/zinc/41/51/57/633415157.db2.gz SZCYVCCCKCEHIW-UHFFFAOYSA-N 2 2 297.406 2.837 20 30 CFEDLP C=CC[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862439949 637379350 /nfs/dbraw/zinc/37/93/50/637379350.db2.gz CEIOHRFKJFXXRK-LBPRGKRZSA-N 2 2 265.426 2.603 20 30 CFEDLP CC(=[NH+]Nc1cc[nH+]cc1C)c1ccccc1N(C)C ZINC000863157610 637571963 /nfs/dbraw/zinc/57/19/63/637571963.db2.gz QDMQXUQPJKMCIM-UHFFFAOYSA-N 2 2 268.364 2.714 20 30 CFEDLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866225222 638773632 /nfs/dbraw/zinc/77/36/32/638773632.db2.gz RJUPPLNAXSUPRH-CYBMUJFWSA-N 2 2 275.396 2.645 20 30 CFEDLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866225222 638773635 /nfs/dbraw/zinc/77/36/35/638773635.db2.gz RJUPPLNAXSUPRH-CYBMUJFWSA-N 2 2 275.396 2.645 20 30 CFEDLP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866261185 638783163 /nfs/dbraw/zinc/78/31/63/638783163.db2.gz QUTVYOPCOVEQCC-CYBMUJFWSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000866336552 638798318 /nfs/dbraw/zinc/79/83/18/638798318.db2.gz LFWFXXQEENJNQF-ZDUSSCGKSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)[C@@H]1CCCO1 ZINC000883194490 645655380 /nfs/dbraw/zinc/65/53/80/645655380.db2.gz XFAGGHCYKVODTI-JYJNAYRXSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)[C@@H]1CCCO1 ZINC000883194490 645655385 /nfs/dbraw/zinc/65/53/85/645655385.db2.gz XFAGGHCYKVODTI-JYJNAYRXSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCCO1 ZINC000883234016 645682962 /nfs/dbraw/zinc/68/29/62/645682962.db2.gz UWAZJFRNOOMEDM-PMPSAXMXSA-N 2 2 280.456 2.963 20 30 CFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCCO1 ZINC000883234016 645682964 /nfs/dbraw/zinc/68/29/64/645682964.db2.gz UWAZJFRNOOMEDM-PMPSAXMXSA-N 2 2 280.456 2.963 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)cn2)CC1 ZINC000885973675 646790694 /nfs/dbraw/zinc/79/06/94/646790694.db2.gz YAXCMGUWGOVAOX-UHFFFAOYSA-N 2 2 279.815 2.865 20 30 CFEDLP CCC1([NH+]2CCC2)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000886718103 647121859 /nfs/dbraw/zinc/12/18/59/647121859.db2.gz QKVMKFPSTIWNQW-UHFFFAOYSA-N 2 2 261.413 2.631 20 30 CFEDLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000925524585 648199561 /nfs/dbraw/zinc/19/95/61/648199561.db2.gz VXFMHDOHGAFBSX-BFHYXJOUSA-N 2 2 251.418 2.633 20 30 CFEDLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000925524585 648199562 /nfs/dbraw/zinc/19/95/62/648199562.db2.gz VXFMHDOHGAFBSX-BFHYXJOUSA-N 2 2 251.418 2.633 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608702 648237483 /nfs/dbraw/zinc/23/74/83/648237483.db2.gz HZBGMEJYBPMDNS-HOCLYGCPSA-N 3 2 279.472 2.523 20 30 CFEDLP CSc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1C#N ZINC000925773863 648317227 /nfs/dbraw/zinc/31/72/27/648317227.db2.gz PYNRBWKWBWDXJV-IUODEOHRSA-N 2 2 289.448 2.900 20 30 CFEDLP CSc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1C#N ZINC000925774327 648317606 /nfs/dbraw/zinc/31/76/06/648317606.db2.gz ULXAHSQJIQPTLY-SMDDNHRTSA-N 2 2 275.421 2.510 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926344102 648468008 /nfs/dbraw/zinc/46/80/08/648468008.db2.gz URZGCYWLZSTIFV-TWMKSMIVSA-N 2 2 278.440 2.574 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926344102 648468012 /nfs/dbraw/zinc/46/80/12/648468012.db2.gz URZGCYWLZSTIFV-TWMKSMIVSA-N 2 2 278.440 2.574 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926344100 648468212 /nfs/dbraw/zinc/46/82/12/648468212.db2.gz URZGCYWLZSTIFV-NCOADZHNSA-N 2 2 278.440 2.574 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926344100 648468216 /nfs/dbraw/zinc/46/82/16/648468216.db2.gz URZGCYWLZSTIFV-NCOADZHNSA-N 2 2 278.440 2.574 20 30 CFEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc(C#N)c1 ZINC000930124395 649189899 /nfs/dbraw/zinc/18/98/99/649189899.db2.gz IWSGJRNMRJLLLH-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)cc(C#N)c1 ZINC000930124395 649189900 /nfs/dbraw/zinc/18/99/00/649189900.db2.gz IWSGJRNMRJLLLH-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP CC[N@H+](Cc1c[nH]c2c1cccc2C#N)C1CC[NH+](C)CC1 ZINC001139703206 776657029 /nfs/dbraw/zinc/65/70/29/776657029.db2.gz LMNPWNQVSWJTBF-UHFFFAOYSA-N 2 2 296.418 2.956 20 30 CFEDLP CC[N@@H+](Cc1c[nH]c2c1cccc2C#N)C1CC[NH+](C)CC1 ZINC001139703206 776657034 /nfs/dbraw/zinc/65/70/34/776657034.db2.gz LMNPWNQVSWJTBF-UHFFFAOYSA-N 2 2 296.418 2.956 20 30 CFEDLP C#Cc1cccc(C[NH+]2CCC([N@@H+](C)CC)CC2)c1 ZINC001231663068 777299451 /nfs/dbraw/zinc/29/94/51/777299451.db2.gz IFMGSUWMWMSIHN-UHFFFAOYSA-N 2 2 256.393 2.584 20 30 CFEDLP C#Cc1cccc(C[NH+]2CCC([N@H+](C)CC)CC2)c1 ZINC001231663068 777299460 /nfs/dbraw/zinc/29/94/60/777299460.db2.gz IFMGSUWMWMSIHN-UHFFFAOYSA-N 2 2 256.393 2.584 20 30 CFEDLP C#C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234076283 778158647 /nfs/dbraw/zinc/15/86/47/778158647.db2.gz VJVHURYZGBKIIF-HNNXBMFYSA-N 2 2 295.386 2.726 20 30 CFEDLP C#C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)C1 ZINC001234076283 778158654 /nfs/dbraw/zinc/15/86/54/778158654.db2.gz VJVHURYZGBKIIF-HNNXBMFYSA-N 2 2 295.386 2.726 20 30 CFEDLP C=CCCCCCC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235116254 778387579 /nfs/dbraw/zinc/38/75/79/778387579.db2.gz UOGXOYGSHWUSJV-MRXNPFEDSA-N 2 2 266.429 2.577 20 30 CFEDLP C=CCCCCCC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235116254 778387588 /nfs/dbraw/zinc/38/75/88/778387588.db2.gz UOGXOYGSHWUSJV-MRXNPFEDSA-N 2 2 266.429 2.577 20 30 CFEDLP C#Cc1cccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235181070 778405254 /nfs/dbraw/zinc/40/52/54/778405254.db2.gz XNCCHSBEYPLUFX-GOSISDBHSA-N 2 2 268.404 2.776 20 30 CFEDLP C#Cc1cccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235181070 778405259 /nfs/dbraw/zinc/40/52/59/778405259.db2.gz XNCCHSBEYPLUFX-GOSISDBHSA-N 2 2 268.404 2.776 20 30 CFEDLP C=CC[NH2+]CC[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001235187038 778406630 /nfs/dbraw/zinc/40/66/30/778406630.db2.gz RDFZWZLAJYAEEV-UHFFFAOYSA-N 2 2 268.404 2.823 20 30 CFEDLP N#Cc1ccc(O)c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235241317 778427957 /nfs/dbraw/zinc/42/79/57/778427957.db2.gz PJRSQDNQDKZQIV-KRWDZBQOSA-N 2 2 299.418 2.618 20 30 CFEDLP C(#CC1CC[NH+](C[C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC001236303874 778767890 /nfs/dbraw/zinc/76/78/90/778767890.db2.gz TWALHPNXMKKBJO-SFHVURJKSA-N 2 2 268.404 2.502 20 30 CFEDLP CC(C)C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236475007 778841534 /nfs/dbraw/zinc/84/15/34/778841534.db2.gz UURZABBUCWYCKY-QGZVFWFLSA-N 2 2 271.408 2.768 20 30 CFEDLP CC(C)C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236475007 778841539 /nfs/dbraw/zinc/84/15/39/778841539.db2.gz UURZABBUCWYCKY-QGZVFWFLSA-N 2 2 271.408 2.768 20 30 CFEDLP C=CCCCCCCCCC[N@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101979 779008328 /nfs/dbraw/zinc/00/83/28/779008328.db2.gz PKBAEJXNSLHKRS-JKSUJKDBSA-N 2 2 268.445 2.951 20 30 CFEDLP C=CCCCCCCCCC[N@@H+]1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101979 779008333 /nfs/dbraw/zinc/00/83/33/779008333.db2.gz PKBAEJXNSLHKRS-JKSUJKDBSA-N 2 2 268.445 2.951 20 30 CFEDLP C=CCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237144530 779025267 /nfs/dbraw/zinc/02/52/67/779025267.db2.gz VMLGFGCMBIMZBB-INIZCTEOSA-N 2 2 266.429 2.577 20 30 CFEDLP C=CCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237144530 779025260 /nfs/dbraw/zinc/02/52/60/779025260.db2.gz VMLGFGCMBIMZBB-INIZCTEOSA-N 2 2 266.429 2.577 20 30 CFEDLP N#Cc1cc(F)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241658783 781052232 /nfs/dbraw/zinc/05/22/32/781052232.db2.gz LBKJZKYHCQXMIX-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241658783 781052239 /nfs/dbraw/zinc/05/22/39/781052239.db2.gz LBKJZKYHCQXMIX-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1ccccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242714825 781715069 /nfs/dbraw/zinc/71/50/69/781715069.db2.gz SPJQEEKCJKADHR-UHFFFAOYSA-N 2 2 274.327 2.560 20 30 CFEDLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000822658691 781907143 /nfs/dbraw/zinc/90/71/43/781907143.db2.gz QGOSUIWHDLKOIV-SUMWQHHRSA-N 2 2 299.418 2.789 20 30 CFEDLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000822658691 781907148 /nfs/dbraw/zinc/90/71/48/781907148.db2.gz QGOSUIWHDLKOIV-SUMWQHHRSA-N 2 2 299.418 2.789 20 30 CFEDLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594506903 349433748 /nfs/dbraw/zinc/43/37/48/349433748.db2.gz HDEUXEOIQWMAFX-UHFFFAOYSA-N 2 2 282.391 2.554 20 30 CFEDLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1C#N ZINC000594523337 349441804 /nfs/dbraw/zinc/44/18/04/349441804.db2.gz QDGLKVACITWJCN-IRXDYDNUSA-N 2 2 299.418 2.673 20 30 CFEDLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1C#N ZINC000594523337 349441807 /nfs/dbraw/zinc/44/18/07/349441807.db2.gz QDGLKVACITWJCN-IRXDYDNUSA-N 2 2 299.418 2.673 20 30 CFEDLP N#Cc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594522497 349442322 /nfs/dbraw/zinc/44/23/22/349442322.db2.gz YUPFFNZVMBBAIL-DLBZAZTESA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594522497 349442325 /nfs/dbraw/zinc/44/23/25/349442325.db2.gz YUPFFNZVMBBAIL-DLBZAZTESA-N 2 2 269.392 2.665 20 30 CFEDLP N#CC1(c2ccc(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000594921671 349508430 /nfs/dbraw/zinc/50/84/30/349508430.db2.gz QLOHXDQJPOXSHT-INIZCTEOSA-N 2 2 281.403 2.568 20 30 CFEDLP N#CC1(c2ccc(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000594921671 349508433 /nfs/dbraw/zinc/50/84/33/349508433.db2.gz QLOHXDQJPOXSHT-INIZCTEOSA-N 2 2 281.403 2.568 20 30 CFEDLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594992438 349541192 /nfs/dbraw/zinc/54/11/92/349541192.db2.gz RJOSTGCMAUOONL-KRWDZBQOSA-N 2 2 283.419 2.816 20 30 CFEDLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594992438 349541194 /nfs/dbraw/zinc/54/11/94/349541194.db2.gz RJOSTGCMAUOONL-KRWDZBQOSA-N 2 2 283.419 2.816 20 30 CFEDLP CC1([NH3+])CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595895964 349764215 /nfs/dbraw/zinc/76/42/15/349764215.db2.gz XMUDSCWJWRXTLI-UHFFFAOYSA-N 2 2 297.324 2.890 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000295037860 199313831 /nfs/dbraw/zinc/31/38/31/199313831.db2.gz PFBHNTAMKHXFQM-ZDUSSCGKSA-N 2 2 279.453 2.872 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000295037860 199313833 /nfs/dbraw/zinc/31/38/33/199313833.db2.gz PFBHNTAMKHXFQM-ZDUSSCGKSA-N 2 2 279.453 2.872 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CCC=C)c1ccco1 ZINC000295074407 199332087 /nfs/dbraw/zinc/33/20/87/199332087.db2.gz SKPDJINDJWKXJS-OAHLLOKOSA-N 2 2 260.381 2.832 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC=C)c1ccco1 ZINC000295074407 199332089 /nfs/dbraw/zinc/33/20/89/199332089.db2.gz SKPDJINDJWKXJS-OAHLLOKOSA-N 2 2 260.381 2.832 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000051924858 346508417 /nfs/dbraw/zinc/50/84/17/346508417.db2.gz HTHBDUDIVJYLSS-UHFFFAOYSA-N 2 2 269.392 2.618 20 30 CFEDLP C#CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072898 347609015 /nfs/dbraw/zinc/60/90/15/347609015.db2.gz RBBPVLZOFUPRAF-MRXNPFEDSA-N 2 2 295.386 2.801 20 30 CFEDLP C#CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072898 347609020 /nfs/dbraw/zinc/60/90/20/347609020.db2.gz RBBPVLZOFUPRAF-MRXNPFEDSA-N 2 2 295.386 2.801 20 30 CFEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000590648790 348920874 /nfs/dbraw/zinc/92/08/74/348920874.db2.gz DSJJAHHNRXTCFS-HOTGVXAUSA-N 2 2 285.435 2.831 20 30 CFEDLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000591241512 349002667 /nfs/dbraw/zinc/00/26/67/349002667.db2.gz UJLCCIFBSLCZDP-KRWDZBQOSA-N 2 2 280.375 2.501 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000591577335 349030831 /nfs/dbraw/zinc/03/08/31/349030831.db2.gz RSBKUNGSFCHBKU-QGZVFWFLSA-N 2 2 269.392 2.667 20 30 CFEDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000598994469 350356761 /nfs/dbraw/zinc/35/67/61/350356761.db2.gz NWKSHQALKWMLGO-AWEZNQCLSA-N 2 2 275.371 2.519 20 30 CFEDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000598994469 350356763 /nfs/dbraw/zinc/35/67/63/350356763.db2.gz NWKSHQALKWMLGO-AWEZNQCLSA-N 2 2 275.371 2.519 20 30 CFEDLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1C#N ZINC000600704006 350598432 /nfs/dbraw/zinc/59/84/32/350598432.db2.gz NSEBGFAORWPACF-BBRMVZONSA-N 2 2 257.381 2.568 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cc1C#N ZINC000600704006 350598435 /nfs/dbraw/zinc/59/84/35/350598435.db2.gz NSEBGFAORWPACF-BBRMVZONSA-N 2 2 257.381 2.568 20 30 CFEDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602002849 350827270 /nfs/dbraw/zinc/82/72/70/350827270.db2.gz BQQOFOOGJUGZGH-ZDUSSCGKSA-N 2 2 275.371 2.519 20 30 CFEDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602002849 350827271 /nfs/dbraw/zinc/82/72/71/350827271.db2.gz BQQOFOOGJUGZGH-ZDUSSCGKSA-N 2 2 275.371 2.519 20 30 CFEDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602007118 350828989 /nfs/dbraw/zinc/82/89/89/350828989.db2.gz MTMDORPVUXLWHG-CYBMUJFWSA-N 2 2 275.371 2.519 20 30 CFEDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602007118 350828994 /nfs/dbraw/zinc/82/89/94/350828994.db2.gz MTMDORPVUXLWHG-CYBMUJFWSA-N 2 2 275.371 2.519 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000602501580 350906947 /nfs/dbraw/zinc/90/69/47/350906947.db2.gz AVEJORGCSDODDO-NVXWUHKLSA-N 2 2 273.424 2.689 20 30 CFEDLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602508302 350909784 /nfs/dbraw/zinc/90/97/84/350909784.db2.gz MAEKQNXTTVZEBJ-HOTGVXAUSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000602515249 350910945 /nfs/dbraw/zinc/91/09/45/350910945.db2.gz PCRPBWYHJZKMKY-HOTGVXAUSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000602515249 350910949 /nfs/dbraw/zinc/91/09/49/350910949.db2.gz PCRPBWYHJZKMKY-HOTGVXAUSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000602516373 350911888 /nfs/dbraw/zinc/91/18/88/350911888.db2.gz ZZRKGSVQXFSPOH-QRNKSROTSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@H+]1CCCC[C@@H]1C ZINC000602516373 350911891 /nfs/dbraw/zinc/91/18/91/350911891.db2.gz ZZRKGSVQXFSPOH-QRNKSROTSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000602515906 350912066 /nfs/dbraw/zinc/91/20/66/350912066.db2.gz SXYRSOXWMTWEOH-CQSZACIVSA-N 2 2 272.396 2.580 20 30 CFEDLP N#CC1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000602517220 350912159 /nfs/dbraw/zinc/91/21/59/350912159.db2.gz YHVRAEHUWGHHOE-UHFFFAOYSA-N 2 2 298.434 2.718 20 30 CFEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602544835 350919159 /nfs/dbraw/zinc/91/91/59/350919159.db2.gz DPBUVPXGWOJDLM-CVEARBPZSA-N 2 2 293.455 2.549 20 30 CFEDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602544835 350919162 /nfs/dbraw/zinc/91/91/62/350919162.db2.gz DPBUVPXGWOJDLM-CVEARBPZSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602564816 350927061 /nfs/dbraw/zinc/92/70/61/350927061.db2.gz OHVKRUKJCKSZQA-FXQLRMTLSA-N 2 2 263.429 2.921 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc(C#N)n1 ZINC000602656399 350963913 /nfs/dbraw/zinc/96/39/13/350963913.db2.gz TWFFEZFNYRXIBS-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc(C#N)n1 ZINC000602656399 350963916 /nfs/dbraw/zinc/96/39/16/350963916.db2.gz TWFFEZFNYRXIBS-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1cccc(C#N)n1)Cc1ccco1 ZINC000602656399 350963920 /nfs/dbraw/zinc/96/39/20/350963920.db2.gz TWFFEZFNYRXIBS-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1cccc(C#N)n1)Cc1ccco1 ZINC000602656399 350963924 /nfs/dbraw/zinc/96/39/24/350963924.db2.gz TWFFEZFNYRXIBS-UHFFFAOYSA-N 2 2 298.390 2.500 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C#N)n1 ZINC000602662977 350966386 /nfs/dbraw/zinc/96/63/86/350966386.db2.gz PVLCHLAKSMLPTL-UHFFFAOYSA-N 2 2 297.406 2.624 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602662977 350966387 /nfs/dbraw/zinc/96/63/87/350966387.db2.gz PVLCHLAKSMLPTL-UHFFFAOYSA-N 2 2 297.406 2.624 20 30 CFEDLP N#CC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000602726898 351002273 /nfs/dbraw/zinc/00/22/73/351002273.db2.gz RFRMPXHFUPLJCH-XUJLQICISA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000602726898 351002276 /nfs/dbraw/zinc/00/22/76/351002276.db2.gz RFRMPXHFUPLJCH-XUJLQICISA-N 2 2 261.413 2.675 20 30 CFEDLP CC1([NH+]2CCCC2)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602953897 351071757 /nfs/dbraw/zinc/07/17/57/351071757.db2.gz DSWZBLVZFUUPPQ-UHFFFAOYSA-N 2 2 261.413 2.631 20 30 CFEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000603432909 351163857 /nfs/dbraw/zinc/16/38/57/351163857.db2.gz KCBCLIMMBFVRND-XJKCOSOUSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000603432909 351163859 /nfs/dbraw/zinc/16/38/59/351163859.db2.gz KCBCLIMMBFVRND-XJKCOSOUSA-N 2 2 257.381 2.506 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609157391 351489774 /nfs/dbraw/zinc/48/97/74/351489774.db2.gz IBSSGYCFZORIOE-MRXNPFEDSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609157391 351489778 /nfs/dbraw/zinc/48/97/78/351489778.db2.gz IBSSGYCFZORIOE-MRXNPFEDSA-N 2 2 266.348 2.592 20 30 CFEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390982 351680175 /nfs/dbraw/zinc/68/01/75/351680175.db2.gz YLKIAQOEEDXUAQ-SUMWQHHRSA-N 2 2 280.375 2.810 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612406072 351816416 /nfs/dbraw/zinc/81/64/16/351816416.db2.gz HSCSGQUDXVNAMT-QGZVFWFLSA-N 2 2 295.390 2.701 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612406072 351816419 /nfs/dbraw/zinc/81/64/19/351816419.db2.gz HSCSGQUDXVNAMT-QGZVFWFLSA-N 2 2 295.390 2.701 20 30 CFEDLP C=CCOCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000312529470 539863712 /nfs/dbraw/zinc/86/37/12/539863712.db2.gz HBOQAASTJPVVHJ-CQSZACIVSA-N 2 2 271.364 2.726 20 30 CFEDLP C=C[C@@H](C(=O)OC)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000619720699 353058721 /nfs/dbraw/zinc/05/87/21/353058721.db2.gz YRBATTZGYKFRNH-INIZCTEOSA-N 2 2 296.455 2.548 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000619748629 353063766 /nfs/dbraw/zinc/06/37/66/353063766.db2.gz PFQHULJMSDVFLD-FZMZJTMJSA-N 2 2 289.810 2.926 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[N@H+]1C1CC1 ZINC000619748629 353063768 /nfs/dbraw/zinc/06/37/68/353063768.db2.gz PFQHULJMSDVFLD-FZMZJTMJSA-N 2 2 289.810 2.926 20 30 CFEDLP C=CCCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088195 354189574 /nfs/dbraw/zinc/18/95/74/354189574.db2.gz OYRSUPJDVQWNJP-UHFFFAOYSA-N 2 2 266.429 2.529 20 30 CFEDLP C=C(C)CC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088496 354190129 /nfs/dbraw/zinc/19/01/29/354190129.db2.gz AUIAGZKDNYVWSX-UHFFFAOYSA-N 2 2 266.429 2.529 20 30 CFEDLP CC1CC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000271876834 191384872 /nfs/dbraw/zinc/38/48/72/191384872.db2.gz OHLKXIKDMIBKKP-UHFFFAOYSA-N 2 2 283.419 2.911 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000353390462 283199343 /nfs/dbraw/zinc/19/93/43/283199343.db2.gz USVGOZNLFVYOIG-KZNAEPCWSA-N 2 2 281.403 2.762 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000353390462 283199344 /nfs/dbraw/zinc/19/93/44/283199344.db2.gz USVGOZNLFVYOIG-KZNAEPCWSA-N 2 2 281.403 2.762 20 30 CFEDLP C=CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261142 189039974 /nfs/dbraw/zinc/03/99/74/189039974.db2.gz JAKUNSXJUOKYFT-UHFFFAOYSA-N 2 2 273.424 2.596 20 30 CFEDLP C=CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261142 189039975 /nfs/dbraw/zinc/03/99/75/189039975.db2.gz JAKUNSXJUOKYFT-UHFFFAOYSA-N 2 2 273.424 2.596 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000178179047 189095473 /nfs/dbraw/zinc/09/54/73/189095473.db2.gz RUVJFZSQNCKRGN-DVOMOZLQSA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000178179047 189095474 /nfs/dbraw/zinc/09/54/74/189095474.db2.gz RUVJFZSQNCKRGN-DVOMOZLQSA-N 2 2 269.392 2.834 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CC2 ZINC000423254663 238313099 /nfs/dbraw/zinc/31/30/99/238313099.db2.gz ZBEBSNSJIZNDLP-ZWKOTPCHSA-N 2 2 277.371 2.835 20 30 CFEDLP C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101605 189346710 /nfs/dbraw/zinc/34/67/10/189346710.db2.gz UNUINPFKJTUYSV-ZIAGYGMSSA-N 2 2 287.407 2.894 20 30 CFEDLP C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101605 189346711 /nfs/dbraw/zinc/34/67/11/189346711.db2.gz UNUINPFKJTUYSV-ZIAGYGMSSA-N 2 2 287.407 2.894 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000574410392 335017614 /nfs/dbraw/zinc/01/76/14/335017614.db2.gz JFVNJZSVCNVUNA-RCCFBDPRSA-N 2 2 295.430 2.790 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000574410392 335017615 /nfs/dbraw/zinc/01/76/15/335017615.db2.gz JFVNJZSVCNVUNA-RCCFBDPRSA-N 2 2 295.430 2.790 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000076003158 374519983 /nfs/dbraw/zinc/51/99/83/374519983.db2.gz VGOPHNWMMBUTSC-OAHLLOKOSA-N 2 2 271.408 2.722 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000076003158 374519988 /nfs/dbraw/zinc/51/99/88/374519988.db2.gz VGOPHNWMMBUTSC-OAHLLOKOSA-N 2 2 271.408 2.722 20 30 CFEDLP C[NH+]1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000090665361 375023849 /nfs/dbraw/zinc/02/38/49/375023849.db2.gz CAIPWWWIJMFKRO-INIZCTEOSA-N 2 2 257.381 2.715 20 30 CFEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000104166788 375771234 /nfs/dbraw/zinc/77/12/34/375771234.db2.gz ABWMCCDRJQAEJC-CQSZACIVSA-N 2 2 294.468 2.611 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000264231511 383713378 /nfs/dbraw/zinc/71/33/78/383713378.db2.gz RWDNRBRSEUMFNG-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000264231511 383713381 /nfs/dbraw/zinc/71/33/81/383713381.db2.gz RWDNRBRSEUMFNG-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C[NH+](C)C[C@H](C)C#N)cc1 ZINC000264231511 383713387 /nfs/dbraw/zinc/71/33/87/383713387.db2.gz RWDNRBRSEUMFNG-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[N@H+](C)Cc1ccc(C[NH+](C)C[C@H](C)C#N)cc1 ZINC000264231511 383713393 /nfs/dbraw/zinc/71/33/93/383713393.db2.gz RWDNRBRSEUMFNG-IYBDPMFKSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@H]1CC[N@@H+](CCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000119977811 376519686 /nfs/dbraw/zinc/51/96/86/376519686.db2.gz ANEKKFNZXHKBGL-KBPBESRZSA-N 2 2 260.385 2.706 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121576459 376861243 /nfs/dbraw/zinc/86/12/43/376861243.db2.gz KKFKYGHVCOFTDN-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121576459 376861249 /nfs/dbraw/zinc/86/12/49/376861249.db2.gz KKFKYGHVCOFTDN-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000127603376 377290242 /nfs/dbraw/zinc/29/02/42/377290242.db2.gz ACRYBZNZIUUPAX-IGGSBBPBSA-N 2 2 295.430 2.825 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000127603376 377290249 /nfs/dbraw/zinc/29/02/49/377290249.db2.gz ACRYBZNZIUUPAX-IGGSBBPBSA-N 2 2 295.430 2.825 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129750712 377468942 /nfs/dbraw/zinc/46/89/42/377468942.db2.gz KFDCTOJWCNYCPT-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129750712 377468947 /nfs/dbraw/zinc/46/89/47/377468947.db2.gz KFDCTOJWCNYCPT-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC000130890086 377626948 /nfs/dbraw/zinc/62/69/48/377626948.db2.gz VHWSYHIIKGSRLY-CYBMUJFWSA-N 2 2 277.437 2.926 20 30 CFEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC000130890086 377626951 /nfs/dbraw/zinc/62/69/51/377626951.db2.gz VHWSYHIIKGSRLY-CYBMUJFWSA-N 2 2 277.437 2.926 20 30 CFEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC000130890086 377626956 /nfs/dbraw/zinc/62/69/56/377626956.db2.gz VHWSYHIIKGSRLY-CYBMUJFWSA-N 2 2 277.437 2.926 20 30 CFEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC000130890086 377626960 /nfs/dbraw/zinc/62/69/60/377626960.db2.gz VHWSYHIIKGSRLY-CYBMUJFWSA-N 2 2 277.437 2.926 20 30 CFEDLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CCO1 ZINC000331215050 378652466 /nfs/dbraw/zinc/65/24/66/378652466.db2.gz NRGSFBRTJZTENG-DZGCQCFKSA-N 2 2 290.411 2.560 20 30 CFEDLP Cc1cc(C)cc(NC(=[NH2+])NCCCNc2cccc[nH+]2)c1 ZINC000170905242 379188635 /nfs/dbraw/zinc/18/86/35/379188635.db2.gz MPAZIGJRKBLMMK-UHFFFAOYSA-N 2 2 297.406 2.927 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)c(F)c1 ZINC000335727690 379792954 /nfs/dbraw/zinc/79/29/54/379792954.db2.gz GSSAURHOBBIDLE-MFKMUULPSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)c(F)c1 ZINC000335727690 379792959 /nfs/dbraw/zinc/79/29/59/379792959.db2.gz GSSAURHOBBIDLE-MFKMUULPSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@H]1CCC[N@H+](CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174271326 379855896 /nfs/dbraw/zinc/85/58/96/379855896.db2.gz WHUPRPZXSNDYLE-AWEZNQCLSA-N 2 2 251.418 2.638 20 30 CFEDLP C[C@H]1CCC[N@@H+](CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000174271326 379855901 /nfs/dbraw/zinc/85/59/01/379855901.db2.gz WHUPRPZXSNDYLE-AWEZNQCLSA-N 2 2 251.418 2.638 20 30 CFEDLP C=C1CC[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000264465038 383742877 /nfs/dbraw/zinc/74/28/77/383742877.db2.gz LNBZJIPLOUAOQP-INIZCTEOSA-N 2 2 299.418 2.666 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000336542047 380441380 /nfs/dbraw/zinc/44/13/80/380441380.db2.gz JILGIOQVERVGCD-CYBMUJFWSA-N 2 2 263.410 2.536 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000336542047 380441387 /nfs/dbraw/zinc/44/13/87/380441387.db2.gz JILGIOQVERVGCD-CYBMUJFWSA-N 2 2 263.410 2.536 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000178642261 380473972 /nfs/dbraw/zinc/47/39/72/380473972.db2.gz OYGJYLVZJUFSAC-NVXWUHKLSA-N 2 2 271.408 2.933 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000178642261 380473975 /nfs/dbraw/zinc/47/39/75/380473975.db2.gz OYGJYLVZJUFSAC-NVXWUHKLSA-N 2 2 271.408 2.933 20 30 CFEDLP C=CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000346992497 380856932 /nfs/dbraw/zinc/85/69/32/380856932.db2.gz UHQDTYUZRSLQFU-RDJZCZTQSA-N 2 2 273.424 2.848 20 30 CFEDLP C=CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000346992497 380856941 /nfs/dbraw/zinc/85/69/41/380856941.db2.gz UHQDTYUZRSLQFU-RDJZCZTQSA-N 2 2 273.424 2.848 20 30 CFEDLP C[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353797642 380858403 /nfs/dbraw/zinc/85/84/03/380858403.db2.gz SOSIZIMGYFIKHT-RDTXWAMCSA-N 2 2 283.419 2.911 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358561597 380929184 /nfs/dbraw/zinc/92/91/84/380929184.db2.gz GQLCYHFTUJIBKK-SGMGOOAPSA-N 2 2 275.371 2.831 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358561597 380929197 /nfs/dbraw/zinc/92/91/97/380929197.db2.gz GQLCYHFTUJIBKK-SGMGOOAPSA-N 2 2 275.371 2.831 20 30 CFEDLP Cc1cccn2c(C[NH2+]CCc3cccc(C#N)c3)c[nH+]c12 ZINC000341486376 381043565 /nfs/dbraw/zinc/04/35/65/381043565.db2.gz NQCIECSGYFXHGO-UHFFFAOYSA-N 2 2 290.370 2.847 20 30 CFEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000354100047 381078432 /nfs/dbraw/zinc/07/84/32/381078432.db2.gz JTNAIOAYGQAVOX-AWEZNQCLSA-N 2 2 289.448 2.783 20 30 CFEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000354100047 381078448 /nfs/dbraw/zinc/07/84/48/381078448.db2.gz JTNAIOAYGQAVOX-AWEZNQCLSA-N 2 2 289.448 2.783 20 30 CFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000354100047 381078459 /nfs/dbraw/zinc/07/84/59/381078459.db2.gz JTNAIOAYGQAVOX-AWEZNQCLSA-N 2 2 289.448 2.783 20 30 CFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000354100047 381078468 /nfs/dbraw/zinc/07/84/68/381078468.db2.gz JTNAIOAYGQAVOX-AWEZNQCLSA-N 2 2 289.448 2.783 20 30 CFEDLP CCC(CC)C[N@@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000182814650 381163019 /nfs/dbraw/zinc/16/30/19/381163019.db2.gz UXQMSXKJERYONE-UHFFFAOYSA-N 2 2 262.401 2.925 20 30 CFEDLP CCC(CC)C[N@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000182814650 381163027 /nfs/dbraw/zinc/16/30/27/381163027.db2.gz UXQMSXKJERYONE-UHFFFAOYSA-N 2 2 262.401 2.925 20 30 CFEDLP C=CC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(OC)cc1 ZINC000290067173 381283193 /nfs/dbraw/zinc/28/31/93/381283193.db2.gz PTGUYWASUAYFEX-UHFFFAOYSA-N 2 2 285.391 2.659 20 30 CFEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000348412086 381556764 /nfs/dbraw/zinc/55/67/64/381556764.db2.gz ZCXYQBPEEXWXFK-HUUCEWRRSA-N 2 2 263.429 2.780 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000342810133 381558526 /nfs/dbraw/zinc/55/85/26/381558526.db2.gz OUGTXQZAHHVHDI-CXAGYDPISA-N 2 2 281.403 2.620 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000342810133 381558529 /nfs/dbraw/zinc/55/85/29/381558529.db2.gz OUGTXQZAHHVHDI-CXAGYDPISA-N 2 2 281.403 2.620 20 30 CFEDLP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(C#N)CC1 ZINC000343321682 381675060 /nfs/dbraw/zinc/67/50/60/381675060.db2.gz OIMXEYAWSFCCPE-KRWDZBQOSA-N 2 2 283.419 2.744 20 30 CFEDLP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(C#N)CC1 ZINC000343321682 381675065 /nfs/dbraw/zinc/67/50/65/381675065.db2.gz OIMXEYAWSFCCPE-KRWDZBQOSA-N 2 2 283.419 2.744 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C#N)CC1 ZINC000343321682 381675072 /nfs/dbraw/zinc/67/50/72/381675072.db2.gz OIMXEYAWSFCCPE-KRWDZBQOSA-N 2 2 283.419 2.744 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C#N)CC1 ZINC000343321682 381675077 /nfs/dbraw/zinc/67/50/77/381675077.db2.gz OIMXEYAWSFCCPE-KRWDZBQOSA-N 2 2 283.419 2.744 20 30 CFEDLP Cn1cc[nH+]c1-c1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000360055713 381754626 /nfs/dbraw/zinc/75/46/26/381754626.db2.gz HFNUCDWVDMNYQR-UHFFFAOYSA-N 2 2 292.342 2.842 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@@H+]1CCCC[C@H]1C ZINC000361457933 381831698 /nfs/dbraw/zinc/83/16/98/381831698.db2.gz CNQCTROUJUZOEC-KLHDSHLOSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@H+]1CCCC[C@H]1C ZINC000361457933 381831706 /nfs/dbraw/zinc/83/17/06/381831706.db2.gz CNQCTROUJUZOEC-KLHDSHLOSA-N 2 2 263.429 2.921 20 30 CFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292853085 381865069 /nfs/dbraw/zinc/86/50/69/381865069.db2.gz BZGNEGIVKNOJOK-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292853085 381865072 /nfs/dbraw/zinc/86/50/72/381865072.db2.gz BZGNEGIVKNOJOK-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292853085 381865077 /nfs/dbraw/zinc/86/50/77/381865077.db2.gz BZGNEGIVKNOJOK-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(C#N)ccc3F)C2)C1 ZINC000292853085 381865081 /nfs/dbraw/zinc/86/50/81/381865081.db2.gz BZGNEGIVKNOJOK-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C#C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000289396333 197326482 /nfs/dbraw/zinc/32/64/82/197326482.db2.gz OCWHXGSGSBRKOE-ZDUSSCGKSA-N 2 2 276.811 2.916 20 30 CFEDLP C=C(C)C[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351760360 382061401 /nfs/dbraw/zinc/06/14/01/382061401.db2.gz USCSWAZPUSMFPA-UHFFFAOYSA-N 2 2 287.451 2.707 20 30 CFEDLP C=C(C)C[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000351760360 382061404 /nfs/dbraw/zinc/06/14/04/382061404.db2.gz USCSWAZPUSMFPA-UHFFFAOYSA-N 2 2 287.451 2.707 20 30 CFEDLP C=CCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000346666580 382462391 /nfs/dbraw/zinc/46/23/91/382462391.db2.gz YNUQAGLKVSJWEY-UHFFFAOYSA-N 2 2 280.799 2.828 20 30 CFEDLP C=C(C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000346777071 382507350 /nfs/dbraw/zinc/50/73/50/382507350.db2.gz JUEOCDPOHDKSOM-RHSMWYFYSA-N 2 2 256.393 2.772 20 30 CFEDLP C=C(C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000346777071 382507356 /nfs/dbraw/zinc/50/73/56/382507356.db2.gz JUEOCDPOHDKSOM-RHSMWYFYSA-N 2 2 256.393 2.772 20 30 CFEDLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000358223395 382511905 /nfs/dbraw/zinc/51/19/05/382511905.db2.gz IPMWDGASTJQJPA-OAHLLOKOSA-N 2 2 269.392 2.861 20 30 CFEDLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000358223395 382511907 /nfs/dbraw/zinc/51/19/07/382511907.db2.gz IPMWDGASTJQJPA-OAHLLOKOSA-N 2 2 269.392 2.861 20 30 CFEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358331417 382572589 /nfs/dbraw/zinc/57/25/89/382572589.db2.gz SQBUZWLCVPMWRD-FVQBIDKESA-N 2 2 257.381 2.571 20 30 CFEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358331417 382572593 /nfs/dbraw/zinc/57/25/93/382572593.db2.gz SQBUZWLCVPMWRD-FVQBIDKESA-N 2 2 257.381 2.571 20 30 CFEDLP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH2+]C1 ZINC000346823006 382529856 /nfs/dbraw/zinc/52/98/56/382529856.db2.gz JSXZRIKADLTDAV-HNNXBMFYSA-N 2 2 289.379 2.582 20 30 CFEDLP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH2+]C1 ZINC000346823006 382529862 /nfs/dbraw/zinc/52/98/62/382529862.db2.gz JSXZRIKADLTDAV-HNNXBMFYSA-N 2 2 289.379 2.582 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000366633077 382535240 /nfs/dbraw/zinc/53/52/40/382535240.db2.gz IXOALSIUDBJRQE-NVXWUHKLSA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000366633077 382535244 /nfs/dbraw/zinc/53/52/44/382535244.db2.gz IXOALSIUDBJRQE-NVXWUHKLSA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000192119205 382705002 /nfs/dbraw/zinc/70/50/02/382705002.db2.gz ITWXGVFCVZMEHG-WMZOPIPTSA-N 2 2 279.387 2.818 20 30 CFEDLP C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000192119205 382705003 /nfs/dbraw/zinc/70/50/03/382705003.db2.gz ITWXGVFCVZMEHG-WMZOPIPTSA-N 2 2 279.387 2.818 20 30 CFEDLP C=CCCCCC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000193315757 382718641 /nfs/dbraw/zinc/71/86/41/382718641.db2.gz LLEDVOYOWIHWGR-MRXNPFEDSA-N 2 2 280.456 2.918 20 30 CFEDLP C=CCCCCC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000193315757 382718642 /nfs/dbraw/zinc/71/86/42/382718642.db2.gz LLEDVOYOWIHWGR-MRXNPFEDSA-N 2 2 280.456 2.918 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000442786859 382957131 /nfs/dbraw/zinc/95/71/31/382957131.db2.gz CICOCKPVIZOXLP-BZUAXINKSA-N 2 2 261.413 2.533 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000442786859 382957133 /nfs/dbraw/zinc/95/71/33/382957133.db2.gz CICOCKPVIZOXLP-BZUAXINKSA-N 2 2 261.413 2.533 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000442839772 382960226 /nfs/dbraw/zinc/96/02/26/382960226.db2.gz XXPNNNIAQSCWET-DIECFANBSA-N 2 2 271.408 2.960 20 30 CFEDLP C=C(C)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445458944 382983326 /nfs/dbraw/zinc/98/33/26/382983326.db2.gz XEOIUCHTNQFHAN-UHFFFAOYSA-N 2 2 264.335 2.911 20 30 CFEDLP C=C(C)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445458944 382983329 /nfs/dbraw/zinc/98/33/29/382983329.db2.gz XEOIUCHTNQFHAN-UHFFFAOYSA-N 2 2 264.335 2.911 20 30 CFEDLP C=C(Br)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246236535 383068812 /nfs/dbraw/zinc/06/88/12/383068812.db2.gz HFTRLDICYSIYCQ-CMPLNLGQSA-N 2 2 284.201 2.675 20 30 CFEDLP C=C(Br)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246236535 383068814 /nfs/dbraw/zinc/06/88/14/383068814.db2.gz HFTRLDICYSIYCQ-CMPLNLGQSA-N 2 2 284.201 2.675 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246308981 383071573 /nfs/dbraw/zinc/07/15/73/383071573.db2.gz DQGUYNHCTXAJMP-HLLBOEOZSA-N 2 2 273.424 2.846 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246308981 383071578 /nfs/dbraw/zinc/07/15/78/383071578.db2.gz DQGUYNHCTXAJMP-HLLBOEOZSA-N 2 2 273.424 2.846 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000247056604 383136932 /nfs/dbraw/zinc/13/69/32/383136932.db2.gz VFNIGWLJUIRBTB-SUMWQHHRSA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000247056604 383136935 /nfs/dbraw/zinc/13/69/35/383136935.db2.gz VFNIGWLJUIRBTB-SUMWQHHRSA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000247056604 383136939 /nfs/dbraw/zinc/13/69/39/383136939.db2.gz VFNIGWLJUIRBTB-SUMWQHHRSA-N 2 2 285.391 2.600 20 30 CFEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000247056604 383136940 /nfs/dbraw/zinc/13/69/40/383136940.db2.gz VFNIGWLJUIRBTB-SUMWQHHRSA-N 2 2 285.391 2.600 20 30 CFEDLP Cc1cc(NCCCC[N@H+]2CCCC[C@H]2C)c(C#N)c[nH+]1 ZINC000425201383 383339530 /nfs/dbraw/zinc/33/95/30/383339530.db2.gz AAODUFNDHGVDTC-OAHLLOKOSA-N 2 2 286.423 2.750 20 30 CFEDLP Cc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)c(C#N)c[nH+]1 ZINC000425201383 383339533 /nfs/dbraw/zinc/33/95/33/383339533.db2.gz AAODUFNDHGVDTC-OAHLLOKOSA-N 2 2 286.423 2.750 20 30 CFEDLP Cc1cc(NCCC[NH+](C(C)C)C(C)C)c(C#N)c[nH+]1 ZINC000425236989 383346500 /nfs/dbraw/zinc/34/65/00/383346500.db2.gz RHOPJMIHKZZERD-UHFFFAOYSA-N 2 2 274.412 2.604 20 30 CFEDLP C=C(C)CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449474819 383316421 /nfs/dbraw/zinc/31/64/21/383316421.db2.gz KJSFZNBDOJELJD-UHFFFAOYSA-N 2 2 259.397 2.602 20 30 CFEDLP C=CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449487301 383326500 /nfs/dbraw/zinc/32/65/00/383326500.db2.gz XRNRDLNTYOPCOR-UHFFFAOYSA-N 2 2 273.424 2.848 20 30 CFEDLP C=CC[N@@H+](Cc1c[nH+]c(N(C)C)n1C)Cc1ccccc1 ZINC000425322189 383368139 /nfs/dbraw/zinc/36/81/39/383368139.db2.gz GZHPCUQLONOWOE-UHFFFAOYSA-N 2 2 284.407 2.674 20 30 CFEDLP C=CC[N@H+](Cc1c[nH+]c(N(C)C)n1C)Cc1ccccc1 ZINC000425322189 383368144 /nfs/dbraw/zinc/36/81/44/383368144.db2.gz GZHPCUQLONOWOE-UHFFFAOYSA-N 2 2 284.407 2.674 20 30 CFEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000435737272 383779550 /nfs/dbraw/zinc/77/95/50/383779550.db2.gz GLXOQJPADKIBLC-SJLPKXTDSA-N 2 2 297.402 2.943 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434786306 383771414 /nfs/dbraw/zinc/77/14/14/383771414.db2.gz QZWWKCXWDDHSCX-OAHLLOKOSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000434786306 383771417 /nfs/dbraw/zinc/77/14/17/383771417.db2.gz QZWWKCXWDDHSCX-OAHLLOKOSA-N 2 2 263.429 2.923 20 30 CFEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574951811 384168259 /nfs/dbraw/zinc/16/82/59/384168259.db2.gz XBISCDUTTROBSI-MSOLQXFVSA-N 2 2 296.418 2.542 20 30 CFEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574951811 384168262 /nfs/dbraw/zinc/16/82/62/384168262.db2.gz XBISCDUTTROBSI-MSOLQXFVSA-N 2 2 296.418 2.542 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000277371307 384281391 /nfs/dbraw/zinc/28/13/91/384281391.db2.gz XRDNKYMPPSXBEK-HNNXBMFYSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000277371307 384281398 /nfs/dbraw/zinc/28/13/98/384281398.db2.gz XRDNKYMPPSXBEK-HNNXBMFYSA-N 2 2 275.371 2.613 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OCC#N)cc1 ZINC000267574706 384418471 /nfs/dbraw/zinc/41/84/71/384418471.db2.gz DZZVOLNIEPSXDO-SJORKVTESA-N 2 2 299.418 2.648 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OCC#N)cc1 ZINC000267574706 384418480 /nfs/dbraw/zinc/41/84/80/384418480.db2.gz DZZVOLNIEPSXDO-SJORKVTESA-N 2 2 299.418 2.648 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC000267574706 384418494 /nfs/dbraw/zinc/41/84/94/384418494.db2.gz DZZVOLNIEPSXDO-SJORKVTESA-N 2 2 299.418 2.648 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OCC#N)cc1 ZINC000267574706 384418505 /nfs/dbraw/zinc/41/85/05/384418505.db2.gz DZZVOLNIEPSXDO-SJORKVTESA-N 2 2 299.418 2.648 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000289266804 197280160 /nfs/dbraw/zinc/28/01/60/197280160.db2.gz NBAWSIHPTYUGHA-QAPCUYQASA-N 2 2 279.387 2.948 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000289266804 197280161 /nfs/dbraw/zinc/28/01/61/197280161.db2.gz NBAWSIHPTYUGHA-QAPCUYQASA-N 2 2 279.387 2.948 20 30 CFEDLP C=CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270371699 385076171 /nfs/dbraw/zinc/07/61/71/385076171.db2.gz UJHWIEPQHSLAMC-AWEZNQCLSA-N 2 2 255.365 2.995 20 30 CFEDLP C=CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270371699 385076177 /nfs/dbraw/zinc/07/61/77/385076177.db2.gz UJHWIEPQHSLAMC-AWEZNQCLSA-N 2 2 255.365 2.995 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281419865 385196503 /nfs/dbraw/zinc/19/65/03/385196503.db2.gz ZYWGTVDEEPDQSF-KRWDZBQOSA-N 2 2 289.398 2.912 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C2 ZINC000376492562 393520826 /nfs/dbraw/zinc/52/08/26/393520826.db2.gz QXUIMWWMCXITKJ-CZUORRHYSA-N 2 2 280.375 2.729 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183499748 393521283 /nfs/dbraw/zinc/52/12/83/393521283.db2.gz ILGAGVPUVYATAV-CYBMUJFWSA-N 2 2 260.381 2.693 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000335177478 393649727 /nfs/dbraw/zinc/64/97/27/393649727.db2.gz HKGVRBVUMCPRNJ-DOTOQJQBSA-N 2 2 269.392 2.667 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413125006 393779467 /nfs/dbraw/zinc/77/94/67/393779467.db2.gz HAAHAXOAPDGQDG-UHFFFAOYSA-N 2 2 287.411 2.503 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2cc(NC3CC3)nc[nH+]2)CC1 ZINC000413125006 393779470 /nfs/dbraw/zinc/77/94/70/393779470.db2.gz HAAHAXOAPDGQDG-UHFFFAOYSA-N 2 2 287.411 2.503 20 30 CFEDLP Cc1cc(C)cc(NC(=[NH2+])NCc2cn3c([nH+]2)CCCC3)c1 ZINC000261980100 393951845 /nfs/dbraw/zinc/95/18/45/393951845.db2.gz HSYNQHASUPLEIO-UHFFFAOYSA-N 2 2 297.406 2.763 20 30 CFEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCCC1)c1cccs1 ZINC000262325998 393954815 /nfs/dbraw/zinc/95/48/15/393954815.db2.gz QZKKDBLYYUOACK-CYBMUJFWSA-N 2 2 294.468 2.588 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000349309382 393967445 /nfs/dbraw/zinc/96/74/45/393967445.db2.gz DIXSMWOHNCCUOG-UBDQQSCGSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000349309382 393967446 /nfs/dbraw/zinc/96/74/46/393967446.db2.gz DIXSMWOHNCCUOG-UBDQQSCGSA-N 2 2 283.419 2.931 20 30 CFEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439444836 394115601 /nfs/dbraw/zinc/11/56/01/394115601.db2.gz CJGOBHZRVXJFTE-AWEZNQCLSA-N 2 2 291.826 2.985 20 30 CFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439444836 394115604 /nfs/dbraw/zinc/11/56/04/394115604.db2.gz CJGOBHZRVXJFTE-AWEZNQCLSA-N 2 2 291.826 2.985 20 30 CFEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439444836 394115607 /nfs/dbraw/zinc/11/56/07/394115607.db2.gz CJGOBHZRVXJFTE-AWEZNQCLSA-N 2 2 291.826 2.985 20 30 CFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439444836 394115609 /nfs/dbraw/zinc/11/56/09/394115609.db2.gz CJGOBHZRVXJFTE-AWEZNQCLSA-N 2 2 291.826 2.985 20 30 CFEDLP N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131918621 394143892 /nfs/dbraw/zinc/14/38/92/394143892.db2.gz BFGFTVKQGBLOCQ-KRWDZBQOSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131918621 394143899 /nfs/dbraw/zinc/14/38/99/394143899.db2.gz BFGFTVKQGBLOCQ-KRWDZBQOSA-N 2 2 297.333 2.746 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151118433 394261200 /nfs/dbraw/zinc/26/12/00/394261200.db2.gz MKQKOBCFVMUYDC-GDBMZVCRSA-N 2 2 286.419 2.966 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151118433 394261206 /nfs/dbraw/zinc/26/12/06/394261206.db2.gz MKQKOBCFVMUYDC-GDBMZVCRSA-N 2 2 286.419 2.966 20 30 CFEDLP CC(C)(C#N)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000540714411 394651672 /nfs/dbraw/zinc/65/16/72/394651672.db2.gz LUJLJRKFMUMZPA-UHFFFAOYSA-N 2 2 272.396 2.898 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000541904742 394690991 /nfs/dbraw/zinc/69/09/91/394690991.db2.gz CYAVQZZRSMBUBA-OCCSQVGLSA-N 2 2 275.371 2.690 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000541904742 394690995 /nfs/dbraw/zinc/69/09/95/394690995.db2.gz CYAVQZZRSMBUBA-OCCSQVGLSA-N 2 2 275.371 2.690 20 30 CFEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)c2F)C1 ZINC000352868374 163257078 /nfs/dbraw/zinc/25/70/78/163257078.db2.gz LQPUNUBUDDUTSL-CQSZACIVSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(C#N)c2F)C1 ZINC000352868374 163257079 /nfs/dbraw/zinc/25/70/79/163257079.db2.gz LQPUNUBUDDUTSL-CQSZACIVSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000352868374 163257081 /nfs/dbraw/zinc/25/70/81/163257081.db2.gz LQPUNUBUDDUTSL-CQSZACIVSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000352868374 163257083 /nfs/dbraw/zinc/25/70/83/163257083.db2.gz LQPUNUBUDDUTSL-CQSZACIVSA-N 2 2 289.398 2.861 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(COC)cs2)CC1 ZINC000657354062 413486245 /nfs/dbraw/zinc/48/62/45/413486245.db2.gz YPSZNDXZTLTBRC-UHFFFAOYSA-N 2 2 280.437 2.635 20 30 CFEDLP C[N@H+](CC#Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285477557 196297515 /nfs/dbraw/zinc/29/75/15/196297515.db2.gz KZJXWOOHFNDPGZ-JWTNVVGKSA-N 2 2 268.404 2.595 20 30 CFEDLP C[N@@H+](CC#Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285477557 196297517 /nfs/dbraw/zinc/29/75/17/196297517.db2.gz KZJXWOOHFNDPGZ-JWTNVVGKSA-N 2 2 268.404 2.595 20 30 CFEDLP C[NH+](CC#Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285477557 196297519 /nfs/dbraw/zinc/29/75/19/196297519.db2.gz KZJXWOOHFNDPGZ-JWTNVVGKSA-N 2 2 268.404 2.595 20 30 CFEDLP C[NH+](CC#Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285477557 196297520 /nfs/dbraw/zinc/29/75/20/196297520.db2.gz KZJXWOOHFNDPGZ-JWTNVVGKSA-N 2 2 268.404 2.595 20 30 CFEDLP C=CCCC1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000665236980 414196831 /nfs/dbraw/zinc/19/68/31/414196831.db2.gz XMXSOYNDRGGILR-SJORKVTESA-N 2 2 292.467 2.870 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H](C)[C@@H]1CCOC1)C(C)C ZINC000152067465 260635217 /nfs/dbraw/zinc/63/52/17/260635217.db2.gz IJTCHJNOKVOOEY-ZACQAIPSSA-N 2 2 280.456 2.700 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000414762443 263040414 /nfs/dbraw/zinc/04/04/14/263040414.db2.gz ALEQCLDNPDEQSG-ZBFHGGJFSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000414762443 263040415 /nfs/dbraw/zinc/04/04/15/263040415.db2.gz ALEQCLDNPDEQSG-ZBFHGGJFSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000414762435 263040467 /nfs/dbraw/zinc/04/04/67/263040467.db2.gz ALEQCLDNPDEQSG-GDBMZVCRSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000414762435 263040468 /nfs/dbraw/zinc/04/04/68/263040468.db2.gz ALEQCLDNPDEQSG-GDBMZVCRSA-N 2 2 274.408 2.811 20 30 CFEDLP COc1ccc(O)c(/C=[NH+]/CC2CC[NH+](C3CC3)CC2)c1 ZINC000278149766 263045636 /nfs/dbraw/zinc/04/56/36/263045636.db2.gz OIFLOQHZUZEMFY-LDADJPATSA-N 2 2 288.391 2.694 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@H]1CC[C@@H](C#N)C1 ZINC000293736993 263148037 /nfs/dbraw/zinc/14/80/37/263148037.db2.gz ZUESPKXVPDOTGG-CABCVRRESA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@H]1CC[C@@H](C#N)C1 ZINC000293736993 263148038 /nfs/dbraw/zinc/14/80/38/263148038.db2.gz ZUESPKXVPDOTGG-CABCVRRESA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@H+](C)[C@H]1CC[C@@H](C#N)C1)Cc1ccco1 ZINC000293736993 263148039 /nfs/dbraw/zinc/14/80/39/263148039.db2.gz ZUESPKXVPDOTGG-CABCVRRESA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1)Cc1ccco1 ZINC000293736993 263148040 /nfs/dbraw/zinc/14/80/40/263148040.db2.gz ZUESPKXVPDOTGG-CABCVRRESA-N 2 2 275.396 2.726 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000294182575 263156994 /nfs/dbraw/zinc/15/69/94/263156994.db2.gz QOAPHHGWUGBUCU-LSDHHAIUSA-N 2 2 285.391 2.926 20 30 CFEDLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C#N)cc1 ZINC000530217656 267198284 /nfs/dbraw/zinc/19/82/84/267198284.db2.gz UXVNUXDGCGRRBT-CVEARBPZSA-N 2 2 269.392 2.884 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370130604 267293296 /nfs/dbraw/zinc/29/32/96/267293296.db2.gz HTNPBKURHPPJDW-UHFFFAOYSA-N 2 2 298.430 2.805 20 30 CFEDLP N#CCC1(C[NH2+][C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000377087590 268046509 /nfs/dbraw/zinc/04/65/09/268046509.db2.gz ZWUSWLUVRCJGPF-KRWDZBQOSA-N 2 2 283.419 2.587 20 30 CFEDLP N#CCC1(C[NH2+][C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000377087590 268046511 /nfs/dbraw/zinc/04/65/11/268046511.db2.gz ZWUSWLUVRCJGPF-KRWDZBQOSA-N 2 2 283.419 2.587 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423550491 288066416 /nfs/dbraw/zinc/06/64/16/288066416.db2.gz IPHSHODTRDSHMU-CVEARBPZSA-N 2 2 257.381 2.741 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000563363609 328059002 /nfs/dbraw/zinc/05/90/02/328059002.db2.gz ITNJEDRTWMQXCF-CVEARBPZSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000563363609 328059003 /nfs/dbraw/zinc/05/90/03/328059003.db2.gz ITNJEDRTWMQXCF-CVEARBPZSA-N 2 2 280.456 2.916 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000571550530 328134356 /nfs/dbraw/zinc/13/43/56/328134356.db2.gz SBCGSKWPSTWWAV-KYHPRHEASA-N 2 2 298.434 2.574 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000571550530 328134358 /nfs/dbraw/zinc/13/43/58/328134358.db2.gz SBCGSKWPSTWWAV-KYHPRHEASA-N 2 2 298.434 2.574 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000571597398 328136387 /nfs/dbraw/zinc/13/63/87/328136387.db2.gz ATGKBNAGNSPHAJ-UHFFFAOYSA-N 2 2 283.419 2.587 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000559145695 327142970 /nfs/dbraw/zinc/14/29/70/327142970.db2.gz QAEIFYDORJJDDD-UKRRQHHQSA-N 2 2 270.380 2.650 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000559145691 327143012 /nfs/dbraw/zinc/14/30/12/327143012.db2.gz QAEIFYDORJJDDD-DZGCQCFKSA-N 2 2 270.380 2.650 20 30 CFEDLP C=CCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000448027117 327209278 /nfs/dbraw/zinc/20/92/78/327209278.db2.gz LLIHBTKHHUFQGA-UHFFFAOYSA-N 2 2 259.397 2.602 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000185803170 329329443 /nfs/dbraw/zinc/32/94/43/329329443.db2.gz CRZQSPRUOZFWIP-PMPSAXMXSA-N 2 2 263.429 2.779 20 30 CFEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000162561610 330070000 /nfs/dbraw/zinc/07/00/00/330070000.db2.gz LSJPJWDGQCUBFY-MRXNPFEDSA-N 2 2 256.393 2.652 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000379646253 330145269 /nfs/dbraw/zinc/14/52/69/330145269.db2.gz FBDAUBZLQIKOQH-HOCLYGCPSA-N 2 2 257.381 2.543 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000379646253 330145270 /nfs/dbraw/zinc/14/52/70/330145270.db2.gz FBDAUBZLQIKOQH-HOCLYGCPSA-N 2 2 257.381 2.543 20 30 CFEDLP C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422997347 330163401 /nfs/dbraw/zinc/16/34/01/330163401.db2.gz NQLGJMDOTROCDK-IMJJTQAJSA-N 2 2 257.381 2.762 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423106667 330170512 /nfs/dbraw/zinc/17/05/12/330170512.db2.gz OPRGYMMSRZOUAF-YOEHRIQHSA-N 2 2 274.408 2.872 20 30 CFEDLP C=CCC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C1CC1 ZINC000423228583 330180502 /nfs/dbraw/zinc/18/05/02/330180502.db2.gz DFCIVKRXXBKNFR-MRXNPFEDSA-N 2 2 286.423 2.648 20 30 CFEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423505307 330208858 /nfs/dbraw/zinc/20/88/58/330208858.db2.gz OJXHLJZHAZYEOW-UKPHBRMFSA-N 2 2 271.408 2.921 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424187222 330320017 /nfs/dbraw/zinc/32/00/17/330320017.db2.gz AMNKNDYBRFNQBO-OWLYRPNTSA-N 2 2 283.419 2.789 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424187222 330320018 /nfs/dbraw/zinc/32/00/18/330320018.db2.gz AMNKNDYBRFNQBO-OWLYRPNTSA-N 2 2 283.419 2.789 20 30 CFEDLP C#CCn1ccc(C[N@H+](CC)CCCc2ccc(C)[nH+]c2)n1 ZINC000490720794 332108905 /nfs/dbraw/zinc/10/89/05/332108905.db2.gz TZVMECFADAKMTR-UHFFFAOYSA-N 2 2 296.418 2.674 20 30 CFEDLP C#CCn1ccc(C[N@@H+](CC)CCCc2ccc(C)[nH+]c2)n1 ZINC000490720794 332108906 /nfs/dbraw/zinc/10/89/06/332108906.db2.gz TZVMECFADAKMTR-UHFFFAOYSA-N 2 2 296.418 2.674 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494411888 332472583 /nfs/dbraw/zinc/47/25/83/332472583.db2.gz PBWOZJMBGBMNTH-HNNXBMFYSA-N 2 2 283.375 2.553 20 30 CFEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000517041303 333090629 /nfs/dbraw/zinc/09/06/29/333090629.db2.gz MAOZEVZDTOPNLU-INIZCTEOSA-N 2 2 293.455 2.503 20 30 CFEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000517041303 333090630 /nfs/dbraw/zinc/09/06/30/333090630.db2.gz MAOZEVZDTOPNLU-INIZCTEOSA-N 2 2 293.455 2.503 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000229675196 333307647 /nfs/dbraw/zinc/30/76/47/333307647.db2.gz JOKHSYSGYPQDRQ-UHFFFAOYSA-N 2 2 286.423 2.970 20 30 CFEDLP CC(C)C[C@@H](C[NH2+]CC(C)(C)CCC#N)[NH+](C)C ZINC000135144195 334117443 /nfs/dbraw/zinc/11/74/43/334117443.db2.gz UWLAWGSTOXJZDA-AWEZNQCLSA-N 2 2 253.434 2.882 20 30 CFEDLP C=CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000135749745 334138091 /nfs/dbraw/zinc/13/80/91/334138091.db2.gz QEPOIEJWSHDHRR-NVXWUHKLSA-N 2 2 258.409 2.858 20 30 CFEDLP C=CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000135749745 334138092 /nfs/dbraw/zinc/13/80/92/334138092.db2.gz QEPOIEJWSHDHRR-NVXWUHKLSA-N 2 2 258.409 2.858 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](C#N)CCC#N ZINC000576508313 335212521 /nfs/dbraw/zinc/21/25/21/335212521.db2.gz BLIQGEHAVRJNOE-HNNXBMFYSA-N 2 2 295.390 2.768 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177697726 335379724 /nfs/dbraw/zinc/37/97/24/335379724.db2.gz DZXCCUIAZGCUTD-UHFFFAOYSA-N 2 2 275.421 2.750 20 30 CFEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(C#N)c1F ZINC000337217204 522749442 /nfs/dbraw/zinc/74/94/42/522749442.db2.gz AYVAXTPAVFWICA-UHFFFAOYSA-N 2 2 275.371 2.615 20 30 CFEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(C#N)c1F ZINC000337217204 522749446 /nfs/dbraw/zinc/74/94/46/522749446.db2.gz AYVAXTPAVFWICA-UHFFFAOYSA-N 2 2 275.371 2.615 20 30 CFEDLP COc1ccc(C#N)cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000156432446 523523639 /nfs/dbraw/zinc/52/36/39/523523639.db2.gz IBNLCZMOQGDXGS-UHFFFAOYSA-N 2 2 296.374 2.600 20 30 CFEDLP C=C(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(CO)o1 ZINC000352796602 526553396 /nfs/dbraw/zinc/55/33/96/526553396.db2.gz GWBRBRCYUUDQGO-HNNXBMFYSA-N 2 2 292.423 2.634 20 30 CFEDLP C=C(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(CO)o1 ZINC000352796602 526553404 /nfs/dbraw/zinc/55/34/04/526553404.db2.gz GWBRBRCYUUDQGO-HNNXBMFYSA-N 2 2 292.423 2.634 20 30 CFEDLP C=C(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(CO)o1 ZINC000352796602 526553410 /nfs/dbraw/zinc/55/34/10/526553410.db2.gz GWBRBRCYUUDQGO-HNNXBMFYSA-N 2 2 292.423 2.634 20 30 CFEDLP C=C(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(CO)o1 ZINC000352796602 526553412 /nfs/dbraw/zinc/55/34/12/526553412.db2.gz GWBRBRCYUUDQGO-HNNXBMFYSA-N 2 2 292.423 2.634 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3ccccc3n2C)CC1 ZINC000106245032 526603933 /nfs/dbraw/zinc/60/39/33/526603933.db2.gz IXVYGFKUZHAHAW-UHFFFAOYSA-N 2 2 298.434 2.703 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106245928 526605134 /nfs/dbraw/zinc/60/51/34/526605134.db2.gz UKNKUDAWSCJAAN-UHFFFAOYSA-N 2 2 289.379 2.725 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCF)CC2)cc1 ZINC000360994928 526609257 /nfs/dbraw/zinc/60/92/57/526609257.db2.gz GZIHCKPDJKEDCK-UHFFFAOYSA-N 2 2 289.398 2.862 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156357671 526617420 /nfs/dbraw/zinc/61/74/20/526617420.db2.gz ADBMHEIJSJNYSB-KRWDZBQOSA-N 2 2 279.343 2.607 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156357671 526617424 /nfs/dbraw/zinc/61/74/24/526617424.db2.gz ADBMHEIJSJNYSB-KRWDZBQOSA-N 2 2 279.343 2.607 20 30 CFEDLP C#CCCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000113329712 526744184 /nfs/dbraw/zinc/74/41/84/526744184.db2.gz PACKVLNWCYRKTR-INIZCTEOSA-N 2 2 297.402 2.711 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1Cl ZINC000347109745 526863340 /nfs/dbraw/zinc/86/33/40/526863340.db2.gz PDRABKQKWIRFDT-LLVKDONJSA-N 2 2 268.788 2.684 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1Cl ZINC000347109745 526863349 /nfs/dbraw/zinc/86/33/49/526863349.db2.gz PDRABKQKWIRFDT-LLVKDONJSA-N 2 2 268.788 2.684 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000347024899 526864659 /nfs/dbraw/zinc/86/46/59/526864659.db2.gz RMYSQHBZLPDNOF-OAHLLOKOSA-N 2 2 290.407 2.573 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000347024899 526864667 /nfs/dbraw/zinc/86/46/67/526864667.db2.gz RMYSQHBZLPDNOF-OAHLLOKOSA-N 2 2 290.407 2.573 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1Cl ZINC000347104871 526871498 /nfs/dbraw/zinc/87/14/98/526871498.db2.gz LGJIUTBYXNRDKP-AWEZNQCLSA-N 2 2 294.826 2.946 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1Cl ZINC000347104871 526871499 /nfs/dbraw/zinc/87/14/99/526871499.db2.gz LGJIUTBYXNRDKP-AWEZNQCLSA-N 2 2 294.826 2.946 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000353249692 526889808 /nfs/dbraw/zinc/88/98/08/526889808.db2.gz NZQAHDDSHBQZRH-CQSZACIVSA-N 2 2 283.375 2.622 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000353249692 526889810 /nfs/dbraw/zinc/88/98/10/526889810.db2.gz NZQAHDDSHBQZRH-CQSZACIVSA-N 2 2 283.375 2.622 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344343440 526905457 /nfs/dbraw/zinc/90/54/57/526905457.db2.gz CNWQISDYZFJIEG-PBHICJAKSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344343440 526905459 /nfs/dbraw/zinc/90/54/59/526905459.db2.gz CNWQISDYZFJIEG-PBHICJAKSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CC1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347807674 526980179 /nfs/dbraw/zinc/98/01/79/526980179.db2.gz GYCOJGVTQUGNFO-UHFFFAOYSA-N 2 2 265.426 2.603 20 30 CFEDLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330298331 528727061 /nfs/dbraw/zinc/72/70/61/528727061.db2.gz HHUQCPVIBKBALO-CQSZACIVSA-N 2 2 290.411 2.622 20 30 CFEDLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000330298331 528727067 /nfs/dbraw/zinc/72/70/67/528727067.db2.gz HHUQCPVIBKBALO-CQSZACIVSA-N 2 2 290.411 2.622 20 30 CFEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000728711591 574105730 /nfs/dbraw/zinc/10/57/30/574105730.db2.gz JBUVOOANLGOPDU-HNNXBMFYSA-N 2 2 298.390 2.744 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3csc(C#N)c3)CC[C@H]21 ZINC000892228634 618015748 /nfs/dbraw/zinc/01/57/48/618015748.db2.gz POTDFJYOYUKWMD-DZGCQCFKSA-N 2 2 275.421 2.536 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3csc(C#N)c3)CC[C@H]21 ZINC000892228634 618015753 /nfs/dbraw/zinc/01/57/53/618015753.db2.gz POTDFJYOYUKWMD-DZGCQCFKSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3csc(C#N)c3)CC[C@H]21 ZINC000892228634 618015756 /nfs/dbraw/zinc/01/57/56/618015756.db2.gz POTDFJYOYUKWMD-DZGCQCFKSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3csc(C#N)c3)CC[C@H]21 ZINC000892228634 618015760 /nfs/dbraw/zinc/01/57/60/618015760.db2.gz POTDFJYOYUKWMD-DZGCQCFKSA-N 2 2 275.421 2.536 20 30 CFEDLP CC(C)C[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000892532179 618613223 /nfs/dbraw/zinc/61/32/23/618613223.db2.gz JOWGEGFIFZEAGP-UHFFFAOYSA-N 2 2 270.420 2.748 20 30 CFEDLP CC1(C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925815700 619134597 /nfs/dbraw/zinc/13/45/97/619134597.db2.gz YPHZXNFIMMCDFX-VNQPRFMTSA-N 2 2 287.382 2.564 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894638780 619434215 /nfs/dbraw/zinc/43/42/15/619434215.db2.gz FWNXNJXHPCSZOD-UHFFFAOYSA-N 2 2 284.325 2.808 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000894638780 619434216 /nfs/dbraw/zinc/43/42/16/619434216.db2.gz FWNXNJXHPCSZOD-UHFFFAOYSA-N 2 2 284.325 2.808 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898035106 620327028 /nfs/dbraw/zinc/32/70/28/620327028.db2.gz LCMURDBPVJFHPR-UHFFFAOYSA-N 2 2 251.418 2.638 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898035106 620327031 /nfs/dbraw/zinc/32/70/31/620327031.db2.gz LCMURDBPVJFHPR-UHFFFAOYSA-N 2 2 251.418 2.638 20 30 CFEDLP CCO[C@@H](C[NH2+][C@@H](CC)c1cccc(C#N)c1)C[NH+](C)C ZINC000926964401 620433759 /nfs/dbraw/zinc/43/37/59/620433759.db2.gz ROAIZOXBJAUFIO-IRXDYDNUSA-N 2 2 289.423 2.566 20 30 CFEDLP CCCCCCCC[C@@H]([NH3+])c1nc(C2([NH3+])CC2)no1 ZINC000900017320 620623425 /nfs/dbraw/zinc/62/34/25/620623425.db2.gz CJJAZGCKFWQKBO-LLVKDONJSA-N 2 2 266.389 2.768 20 30 CFEDLP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cc(C#N)ccn1 ZINC000902728232 621159241 /nfs/dbraw/zinc/15/92/41/621159241.db2.gz OCWZGSLZGCIONR-HNNXBMFYSA-N 2 2 286.423 2.726 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@]1(C)CCCCO1 ZINC000902793926 621178294 /nfs/dbraw/zinc/17/82/94/621178294.db2.gz OWLSZLZMQRBLTM-HRCADAONSA-N 2 2 268.445 2.820 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000902962804 621215380 /nfs/dbraw/zinc/21/53/80/621215380.db2.gz MHBOSKLMDCYNQF-CVEARBPZSA-N 2 2 280.375 2.810 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481482 621392029 /nfs/dbraw/zinc/39/20/29/621392029.db2.gz DCQFTSIHLHFHKP-QGZVFWFLSA-N 2 2 283.419 2.939 20 30 CFEDLP N#CC1CCC(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903541030 621396102 /nfs/dbraw/zinc/39/61/02/621396102.db2.gz HZWVSUSKBPKOKB-IFWUJCSASA-N 2 2 289.345 2.528 20 30 CFEDLP N#CC1CCC(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903541030 621396105 /nfs/dbraw/zinc/39/61/05/621396105.db2.gz HZWVSUSKBPKOKB-IFWUJCSASA-N 2 2 289.345 2.528 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805490 621445442 /nfs/dbraw/zinc/44/54/42/621445442.db2.gz PARXJVASIUMZRG-AEFFLSMTSA-N 2 2 283.419 2.878 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903805490 621445443 /nfs/dbraw/zinc/44/54/43/621445443.db2.gz PARXJVASIUMZRG-AEFFLSMTSA-N 2 2 283.419 2.878 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000820809733 622761911 /nfs/dbraw/zinc/76/19/11/622761911.db2.gz HJWJTCXQBYWENP-DOTOQJQBSA-N 2 2 280.456 2.558 20 30 CFEDLP C[N@H+](CCCn1cc[nH+]c1)CC1CCC(C#N)CC1 ZINC000930123939 624704393 /nfs/dbraw/zinc/70/43/93/624704393.db2.gz CMTXWAQIOYGCTQ-UHFFFAOYSA-N 2 2 260.385 2.535 20 30 CFEDLP C[N@@H+](CCCn1cc[nH+]c1)CC1CCC(C#N)CC1 ZINC000930123939 624704398 /nfs/dbraw/zinc/70/43/98/624704398.db2.gz CMTXWAQIOYGCTQ-UHFFFAOYSA-N 2 2 260.385 2.535 20 30 CFEDLP N#Cc1cc(C[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000921508657 625789295 /nfs/dbraw/zinc/78/92/95/625789295.db2.gz NKHCSELKAVVTRY-UHFFFAOYSA-N 2 2 263.410 2.585 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000921610912 625993544 /nfs/dbraw/zinc/99/35/44/625993544.db2.gz ZTWYHLVGDSFPIU-CYBMUJFWSA-N 2 2 282.391 2.798 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CCC[C@H]2C)cc1 ZINC000766276018 627190169 /nfs/dbraw/zinc/19/01/69/627190169.db2.gz ZYFDBYCNFIMYIG-HZPDHXFCSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+]CC[N@H+]2CCC[C@H]2C)cc1 ZINC000766276018 627190170 /nfs/dbraw/zinc/19/01/70/627190170.db2.gz ZYFDBYCNFIMYIG-HZPDHXFCSA-N 2 2 286.419 2.834 20 30 CFEDLP COc1cc(F)cc(N[NH+]=Cc2c[nH+]ccc2N(C)C)c1 ZINC000776187123 628113829 /nfs/dbraw/zinc/11/38/29/628113829.db2.gz AKRHGJXSBJUYFT-UHFFFAOYSA-N 2 2 288.326 2.741 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3nc(Cl)ccc32)CC1 ZINC000806137128 630771656 /nfs/dbraw/zinc/77/16/56/630771656.db2.gz HATVWEBCHSYMAM-AWEZNQCLSA-N 2 2 291.826 2.962 20 30 CFEDLP C#Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000809633372 631252013 /nfs/dbraw/zinc/25/20/13/631252013.db2.gz CNBUUTHCUMKPKD-UHFFFAOYSA-N 2 2 265.360 2.655 20 30 CFEDLP C#C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000809684517 631261997 /nfs/dbraw/zinc/26/19/97/631261997.db2.gz DYBBKWFSAOOEEH-LJQANCHMSA-N 2 2 299.462 2.969 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000815652747 632306836 /nfs/dbraw/zinc/30/68/36/632306836.db2.gz QGAJYQXACWLCKH-INIZCTEOSA-N 2 2 280.362 2.961 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000815652747 632306837 /nfs/dbraw/zinc/30/68/37/632306837.db2.gz QGAJYQXACWLCKH-INIZCTEOSA-N 2 2 280.362 2.961 20 30 CFEDLP CCOc1ccc(/C=[NH+]\C[C@H]2C[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000846756191 632787872 /nfs/dbraw/zinc/78/78/72/632787872.db2.gz HFTBWZDEHUOWQE-CDWGSEQTSA-N 2 2 276.380 2.550 20 30 CFEDLP C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000847027389 632893074 /nfs/dbraw/zinc/89/30/74/632893074.db2.gz AVMQMNZPRGOVBC-OAHLLOKOSA-N 2 2 265.360 2.718 20 30 CFEDLP C#C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000847027389 632893080 /nfs/dbraw/zinc/89/30/80/632893080.db2.gz AVMQMNZPRGOVBC-OAHLLOKOSA-N 2 2 265.360 2.718 20 30 CFEDLP c1cn(CCCN[NH+]=C2CC[C@H]3CNc4cccc2c43)c[nH+]1 ZINC000848416419 633253716 /nfs/dbraw/zinc/25/37/16/633253716.db2.gz KXEIHGSLYMQXFA-ZDUSSCGKSA-N 2 2 295.390 2.570 20 30 CFEDLP C#CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575681 633294528 /nfs/dbraw/zinc/29/45/28/633294528.db2.gz VCPHZNDHMHFUEZ-OALUTQOASA-N 2 2 298.430 2.805 20 30 CFEDLP C#CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575681 633294533 /nfs/dbraw/zinc/29/45/33/633294533.db2.gz VCPHZNDHMHFUEZ-OALUTQOASA-N 2 2 298.430 2.805 20 30 CFEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575683 633294836 /nfs/dbraw/zinc/29/48/36/633294836.db2.gz VCPHZNDHMHFUEZ-RTBURBONSA-N 2 2 298.430 2.805 20 30 CFEDLP C#CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575683 633294839 /nfs/dbraw/zinc/29/48/39/633294839.db2.gz VCPHZNDHMHFUEZ-RTBURBONSA-N 2 2 298.430 2.805 20 30 CFEDLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)CC1(C)C ZINC000858147319 636138806 /nfs/dbraw/zinc/13/88/06/636138806.db2.gz LAPQXDZIPAOJGE-AWEZNQCLSA-N 2 2 275.371 2.660 20 30 CFEDLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(C#N)ccc2F)CC1(C)C ZINC000858147319 636138809 /nfs/dbraw/zinc/13/88/09/636138809.db2.gz LAPQXDZIPAOJGE-AWEZNQCLSA-N 2 2 275.371 2.660 20 30 CFEDLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866218708 638773033 /nfs/dbraw/zinc/77/30/33/638773033.db2.gz WINJDYBHJAYFMI-ZDUSSCGKSA-N 2 2 287.407 2.789 20 30 CFEDLP C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)C[NH+]1CCCC1 ZINC000866239194 638777425 /nfs/dbraw/zinc/77/74/25/638777425.db2.gz ROAHODXIMHBXFE-ZIAGYGMSSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1O ZINC000866367596 638805896 /nfs/dbraw/zinc/80/58/96/638805896.db2.gz LJRAISPGQUSJLN-PRTUASRFSA-N 2 2 285.391 2.540 20 30 CFEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1O ZINC000866367596 638805898 /nfs/dbraw/zinc/80/58/98/638805898.db2.gz LJRAISPGQUSJLN-PRTUASRFSA-N 2 2 285.391 2.540 20 30 CFEDLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866373784 638808318 /nfs/dbraw/zinc/80/83/18/638808318.db2.gz SREKMFBQEROMFD-KGLIPLIRSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866373784 638808320 /nfs/dbraw/zinc/80/83/20/638808320.db2.gz SREKMFBQEROMFD-KGLIPLIRSA-N 2 2 287.407 2.646 20 30 CFEDLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877074091 643136286 /nfs/dbraw/zinc/13/62/86/643136286.db2.gz ZDIRDCULRYQMAD-KGLIPLIRSA-N 2 2 292.814 2.569 20 30 CFEDLP N#CCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571095 644771028 /nfs/dbraw/zinc/77/10/28/644771028.db2.gz NMEUSSOTQZJQET-OAHLLOKOSA-N 2 2 254.337 2.518 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000883131106 645617970 /nfs/dbraw/zinc/61/79/70/645617970.db2.gz GQOMLJQQGYSVJZ-UHFFFAOYSA-N 2 2 290.354 2.812 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000883131106 645617974 /nfs/dbraw/zinc/61/79/74/645617974.db2.gz GQOMLJQQGYSVJZ-UHFFFAOYSA-N 2 2 290.354 2.812 20 30 CFEDLP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1Cc2ccccc2O1 ZINC000883166316 645635068 /nfs/dbraw/zinc/63/50/68/645635068.db2.gz XDEGBFLGHHJNRJ-WMZOPIPTSA-N 2 2 297.402 2.811 20 30 CFEDLP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1Cc2ccccc2O1 ZINC000883166314 645635659 /nfs/dbraw/zinc/63/56/59/645635659.db2.gz XDEGBFLGHHJNRJ-FUHWJXTLSA-N 2 2 297.402 2.811 20 30 CFEDLP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CCCO1 ZINC000883217853 645670747 /nfs/dbraw/zinc/67/07/47/645670747.db2.gz OZSJMIJVZUXFHQ-CABCVRRESA-N 2 2 266.429 2.574 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](OC)CC2)CC1 ZINC000885973035 646790909 /nfs/dbraw/zinc/79/09/09/646790909.db2.gz OJEXYPAGMQZNRF-HOCLYGCPSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1[C@@H](C)COC[C@@H]1C)C(C)C ZINC000924644182 648016927 /nfs/dbraw/zinc/01/69/27/648016927.db2.gz UOBRHBFYRAKRMP-YESZJQIVSA-N 2 2 294.483 2.946 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924983081 648084226 /nfs/dbraw/zinc/08/42/26/648084226.db2.gz AWLZZSVLJKYRDL-AWEZNQCLSA-N 2 2 288.439 2.909 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924984962 648084311 /nfs/dbraw/zinc/08/43/11/648084311.db2.gz ZGWZRFRCBASJFD-GFCCVEGCSA-N 2 2 278.371 2.832 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000926289865 648456182 /nfs/dbraw/zinc/45/61/82/648456182.db2.gz GQTKYRCIOMZWKZ-UKRRQHHQSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000926289865 648456185 /nfs/dbraw/zinc/45/61/85/648456185.db2.gz GQTKYRCIOMZWKZ-UKRRQHHQSA-N 2 2 263.429 2.921 20 30 CFEDLP N#Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926681235 648573609 /nfs/dbraw/zinc/57/36/09/648573609.db2.gz XAJPIMYRAONMJI-ROUUACIJSA-N 2 2 283.419 2.707 20 30 CFEDLP N#Cc1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926681235 648573617 /nfs/dbraw/zinc/57/36/17/648573617.db2.gz XAJPIMYRAONMJI-ROUUACIJSA-N 2 2 283.419 2.707 20 30 CFEDLP CCO[C@@H](C[NH2+][C@@H](CC)c1ccc(C#N)cc1)C[NH+](C)C ZINC000926958224 648670884 /nfs/dbraw/zinc/67/08/84/648670884.db2.gz FDFVUEFFEKKZNW-IRXDYDNUSA-N 2 2 289.423 2.566 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000328002682 775696846 /nfs/dbraw/zinc/69/68/46/775696846.db2.gz OEBWWDPIVZTFNJ-ZDUSSCGKSA-N 2 2 264.800 2.946 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000328002682 775696853 /nfs/dbraw/zinc/69/68/53/775696853.db2.gz OEBWWDPIVZTFNJ-ZDUSSCGKSA-N 2 2 264.800 2.946 20 30 CFEDLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@@H]1C#N ZINC001167833532 776570706 /nfs/dbraw/zinc/57/07/06/776570706.db2.gz CAXFNVGLDVOZTM-HUUCEWRRSA-N 2 2 251.418 2.875 20 30 CFEDLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@H]1C#N ZINC001167833532 776570709 /nfs/dbraw/zinc/57/07/09/776570709.db2.gz CAXFNVGLDVOZTM-HUUCEWRRSA-N 2 2 251.418 2.875 20 30 CFEDLP C#Cc1cccc(C[N@@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001231659007 777296268 /nfs/dbraw/zinc/29/62/68/777296268.db2.gz CWTJXULKLSHSSX-UHFFFAOYSA-N 2 2 256.393 2.584 20 30 CFEDLP C#Cc1cccc(C[N@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001231659007 777296272 /nfs/dbraw/zinc/29/62/72/777296272.db2.gz CWTJXULKLSHSSX-UHFFFAOYSA-N 2 2 256.393 2.584 20 30 CFEDLP C[NH+]1CCC2(CC1)CC[NH+](Cc1cc(C#N)ccc1O)CC2 ZINC001232678106 777637984 /nfs/dbraw/zinc/63/79/84/777637984.db2.gz PPFNPMSEJUQVLL-UHFFFAOYSA-N 2 2 299.418 2.572 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(O)c1 ZINC001233383275 777925464 /nfs/dbraw/zinc/92/54/64/777925464.db2.gz CMFXZCZXSOAOPI-UHFFFAOYSA-N 2 2 299.418 2.714 20 30 CFEDLP CCCCCCC/C=C/C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051875 778367247 /nfs/dbraw/zinc/36/72/47/778367247.db2.gz BDTPJBYEGUMSGY-IJDCCNJMSA-N 2 2 279.472 2.540 20 30 CFEDLP CCCCCCC/C=C/C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051875 778367254 /nfs/dbraw/zinc/36/72/54/778367254.db2.gz BDTPJBYEGUMSGY-IJDCCNJMSA-N 2 2 279.472 2.540 20 30 CFEDLP CCCCCCCC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113603 778385408 /nfs/dbraw/zinc/38/54/08/778385408.db2.gz FFRQSKPFOFHNTG-MRXNPFEDSA-N 2 2 268.445 2.801 20 30 CFEDLP CCCCCCCC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113603 778385416 /nfs/dbraw/zinc/38/54/16/778385416.db2.gz FFRQSKPFOFHNTG-MRXNPFEDSA-N 2 2 268.445 2.801 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235892294 778592990 /nfs/dbraw/zinc/59/29/90/778592990.db2.gz OLIAYORTSDPJPO-UKRRQHHQSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235892294 778592994 /nfs/dbraw/zinc/59/29/94/778592994.db2.gz OLIAYORTSDPJPO-UKRRQHHQSA-N 2 2 260.381 2.563 20 30 CFEDLP CCc1cc(C#N)ccc1C[N@@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001236008172 778652832 /nfs/dbraw/zinc/65/28/32/778652832.db2.gz FHSTVBHDXBXCML-QGZVFWFLSA-N 2 2 271.408 2.695 20 30 CFEDLP CCc1cc(C#N)ccc1C[N@H+](CC)[C@@H]1CCC[NH2+]C1 ZINC001236008172 778652835 /nfs/dbraw/zinc/65/28/35/778652835.db2.gz FHSTVBHDXBXCML-QGZVFWFLSA-N 2 2 271.408 2.695 20 30 CFEDLP CCc1cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)ccc1C#N ZINC001236208436 778735640 /nfs/dbraw/zinc/73/56/40/778735640.db2.gz GGHAVFFEIZOEQT-KRWDZBQOSA-N 2 2 271.408 2.695 20 30 CFEDLP CCc1cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)ccc1C#N ZINC001236208436 778735644 /nfs/dbraw/zinc/73/56/44/778735644.db2.gz GGHAVFFEIZOEQT-KRWDZBQOSA-N 2 2 271.408 2.695 20 30 CFEDLP CC(C)C[N@H+](Cc1cc(F)cc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236477628 778843165 /nfs/dbraw/zinc/84/31/65/778843165.db2.gz IHQXXFFEOUCERR-QGZVFWFLSA-N 2 2 289.398 2.907 20 30 CFEDLP CC(C)C[N@@H+](Cc1cc(F)cc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236477628 778843170 /nfs/dbraw/zinc/84/31/70/778843170.db2.gz IHQXXFFEOUCERR-QGZVFWFLSA-N 2 2 289.398 2.907 20 30 CFEDLP N#Cc1ccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236654639 778904807 /nfs/dbraw/zinc/90/48/07/778904807.db2.gz QORVDLUVGMENFZ-KRWDZBQOSA-N 2 2 299.418 2.760 20 30 CFEDLP N#Cc1ccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236654639 778904813 /nfs/dbraw/zinc/90/48/13/778904813.db2.gz QORVDLUVGMENFZ-KRWDZBQOSA-N 2 2 299.418 2.760 20 30 CFEDLP Cn1cc(C[NH+]2CCC([NH+](C)C)CC2)c2cc(C#N)ccc21 ZINC001237465361 779114194 /nfs/dbraw/zinc/11/41/94/779114194.db2.gz IFDIODXCZMJORT-UHFFFAOYSA-N 2 2 296.418 2.576 20 30 CFEDLP C=C[C@@H](COC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001116620297 780200059 /nfs/dbraw/zinc/20/00/59/780200059.db2.gz IBQCJUBCIGFISD-HIFRSBDPSA-N 2 2 271.364 2.724 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1C#N ZINC000594523146 349442056 /nfs/dbraw/zinc/44/20/56/349442056.db2.gz OELSPMJXPBPHOD-ROUUACIJSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1C#N ZINC000594523146 349442061 /nfs/dbraw/zinc/44/20/61/349442061.db2.gz OELSPMJXPBPHOD-ROUUACIJSA-N 2 2 283.419 2.973 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594921884 349508777 /nfs/dbraw/zinc/50/87/77/349508777.db2.gz VCPIQZCVDGXNDF-QGZVFWFLSA-N 2 2 283.419 2.816 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594921884 349508781 /nfs/dbraw/zinc/50/87/81/349508781.db2.gz VCPIQZCVDGXNDF-QGZVFWFLSA-N 2 2 283.419 2.816 20 30 CFEDLP C[C@H](C[NH2+]Cc1ccc(C2(C#N)CC2)cc1)Cn1cc[nH+]c1 ZINC000594918240 349505753 /nfs/dbraw/zinc/50/57/53/349505753.db2.gz PXWQIIJLOBEQLF-OAHLLOKOSA-N 2 2 294.402 2.864 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000594962850 349532119 /nfs/dbraw/zinc/53/21/19/349532119.db2.gz LWSMIMOLANZMLG-HNNXBMFYSA-N 2 2 257.381 2.521 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000594962850 349532122 /nfs/dbraw/zinc/53/21/22/349532122.db2.gz LWSMIMOLANZMLG-HNNXBMFYSA-N 2 2 257.381 2.521 20 30 CFEDLP CC(C)([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(C#N)c1 ZINC000594970601 349536197 /nfs/dbraw/zinc/53/61/97/349536197.db2.gz ZOVFQJWLDULNTF-UHFFFAOYSA-N 2 2 280.375 2.726 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000595892434 349762689 /nfs/dbraw/zinc/76/26/89/349762689.db2.gz QXSGDACPIUEAMU-YGRLFVJLSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000595892434 349762691 /nfs/dbraw/zinc/76/26/91/349762691.db2.gz QXSGDACPIUEAMU-YGRLFVJLSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595896903 349764090 /nfs/dbraw/zinc/76/40/90/349764090.db2.gz ZFNOEEYXDKBNLV-MFKMUULPSA-N 2 2 297.324 2.889 20 30 CFEDLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595896903 349764092 /nfs/dbraw/zinc/76/40/92/349764092.db2.gz ZFNOEEYXDKBNLV-MFKMUULPSA-N 2 2 297.324 2.889 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000295063154 199325126 /nfs/dbraw/zinc/32/51/26/199325126.db2.gz RKEWBGBTNYNEGA-LBPRGKRZSA-N 2 2 266.335 2.571 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000295063154 199325128 /nfs/dbraw/zinc/32/51/28/199325128.db2.gz RKEWBGBTNYNEGA-LBPRGKRZSA-N 2 2 266.335 2.571 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917656 346335735 /nfs/dbraw/zinc/33/57/35/346335735.db2.gz AKWRRPLWNQWBPG-IRXDYDNUSA-N 2 2 269.392 2.522 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917656 346335737 /nfs/dbraw/zinc/33/57/37/346335737.db2.gz AKWRRPLWNQWBPG-IRXDYDNUSA-N 2 2 269.392 2.522 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1c[nH+]ccc1N ZINC000596653186 349969657 /nfs/dbraw/zinc/96/96/57/349969657.db2.gz SLFQUPNEKJZBEM-GFCCVEGCSA-N 2 2 258.369 2.619 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC#N ZINC000081013251 347396064 /nfs/dbraw/zinc/39/60/64/347396064.db2.gz KHMDNXAKFXLKHR-WBVHZDCISA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC#N ZINC000081013251 347396067 /nfs/dbraw/zinc/39/60/67/347396067.db2.gz KHMDNXAKFXLKHR-WBVHZDCISA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCC#N ZINC000081013251 347396069 /nfs/dbraw/zinc/39/60/69/347396069.db2.gz KHMDNXAKFXLKHR-WBVHZDCISA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCC#N ZINC000081013251 347396073 /nfs/dbraw/zinc/39/60/73/347396073.db2.gz KHMDNXAKFXLKHR-WBVHZDCISA-N 2 2 271.408 2.742 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000091556299 347592966 /nfs/dbraw/zinc/59/29/66/347592966.db2.gz GUZFWZHLRPHCND-OAHLLOKOSA-N 2 2 289.423 2.957 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000297775977 348365717 /nfs/dbraw/zinc/36/57/17/348365717.db2.gz PKFCBNIRMUQXKE-DZGCQCFKSA-N 2 2 274.412 2.519 20 30 CFEDLP CC1(C#N)CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000590645218 348919240 /nfs/dbraw/zinc/91/92/40/348919240.db2.gz CHFJKKFECNXHEF-PCKAHOCUSA-N 2 2 261.413 2.533 20 30 CFEDLP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000590645218 348919246 /nfs/dbraw/zinc/91/92/46/348919246.db2.gz CHFJKKFECNXHEF-PCKAHOCUSA-N 2 2 261.413 2.533 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000591577881 349030905 /nfs/dbraw/zinc/03/09/05/349030905.db2.gz LQOBTTNYISIMGI-HZPDHXFCSA-N 2 2 257.381 2.741 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000591582642 349032821 /nfs/dbraw/zinc/03/28/21/349032821.db2.gz RPXSGKLYMZZFLY-NVXWUHKLSA-N 2 2 269.392 2.667 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591581143 349033025 /nfs/dbraw/zinc/03/30/25/349033025.db2.gz LREBDWPOBADZAC-ZOBUZTSGSA-N 2 2 287.382 2.615 20 30 CFEDLP CC1CC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593702830 349312904 /nfs/dbraw/zinc/31/29/04/349312904.db2.gz ORAPFIOCXCPSQH-UHFFFAOYSA-N 2 2 283.419 2.911 20 30 CFEDLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496787 349431094 /nfs/dbraw/zinc/43/10/94/349431094.db2.gz VOSFIDJPAFFCDT-INIZCTEOSA-N 2 2 271.408 2.672 20 30 CFEDLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496787 349431098 /nfs/dbraw/zinc/43/10/98/349431098.db2.gz VOSFIDJPAFFCDT-INIZCTEOSA-N 2 2 271.408 2.672 20 30 CFEDLP N#Cc1ccccc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000598678957 350308895 /nfs/dbraw/zinc/30/88/95/350308895.db2.gz BJXBJPFYEADIET-INIZCTEOSA-N 2 2 257.381 2.555 20 30 CFEDLP C/C=C\C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599004429 350358350 /nfs/dbraw/zinc/35/83/50/350358350.db2.gz CWNXJPREMQBVHO-IHWYPQMZSA-N 2 2 269.392 2.688 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000599287669 350407314 /nfs/dbraw/zinc/40/73/14/350407314.db2.gz NJMROUGSHMQFBU-QGZVFWFLSA-N 2 2 280.375 2.900 20 30 CFEDLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000599287669 350407316 /nfs/dbraw/zinc/40/73/16/350407316.db2.gz NJMROUGSHMQFBU-QGZVFWFLSA-N 2 2 280.375 2.900 20 30 CFEDLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000599330212 350415808 /nfs/dbraw/zinc/41/58/08/350415808.db2.gz VTSGLJCLBSYYFR-OAHLLOKOSA-N 2 2 280.375 2.969 20 30 CFEDLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1C#N ZINC000600704009 350598079 /nfs/dbraw/zinc/59/80/79/350598079.db2.gz NSEBGFAORWPACF-XJKSGUPXSA-N 2 2 257.381 2.568 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])cc1C#N ZINC000600704009 350598081 /nfs/dbraw/zinc/59/80/81/350598081.db2.gz NSEBGFAORWPACF-XJKSGUPXSA-N 2 2 257.381 2.568 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000600708614 350599209 /nfs/dbraw/zinc/59/92/09/350599209.db2.gz DMTCLFKKMKFDIO-MSOLQXFVSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000600708614 350599212 /nfs/dbraw/zinc/59/92/12/350599212.db2.gz DMTCLFKKMKFDIO-MSOLQXFVSA-N 2 2 283.419 2.973 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC000600711602 350600344 /nfs/dbraw/zinc/60/03/44/350600344.db2.gz SLGJPFBNGANTGE-KCXAZCMYSA-N 2 2 257.381 2.739 20 30 CFEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000600714930 350600367 /nfs/dbraw/zinc/60/03/67/350600367.db2.gz VPGOFOHKDZWMJJ-JCURWCKSSA-N 2 2 269.392 2.666 20 30 CFEDLP CC1CC[NH+](CCC[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000601999805 350826561 /nfs/dbraw/zinc/82/65/61/350826561.db2.gz SPZINQJBQNRRNT-UHFFFAOYSA-N 2 2 289.398 2.909 20 30 CFEDLP N#Cc1c(F)cccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000602000453 350827360 /nfs/dbraw/zinc/82/73/60/350827360.db2.gz ZJKINOVRHHAURO-UHFFFAOYSA-N 2 2 275.371 2.663 20 30 CFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602508304 350909576 /nfs/dbraw/zinc/90/95/76/350909576.db2.gz MAEKQNXTTVZEBJ-HZPDHXFCSA-N 2 2 293.455 2.549 20 30 CFEDLP CC(C)C[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[NH+](C)C ZINC000602510695 350910585 /nfs/dbraw/zinc/91/05/85/350910585.db2.gz LYZKWKIAMZGYSU-HOTGVXAUSA-N 2 2 295.471 2.651 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]CCCCNc1cccc[nH+]1 ZINC000602535016 350916911 /nfs/dbraw/zinc/91/69/11/350916911.db2.gz LFGCLXDKTSTJRZ-CQSZACIVSA-N 2 2 260.385 2.803 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000602589023 350937274 /nfs/dbraw/zinc/93/72/74/350937274.db2.gz XUZJHOKKKLELAP-GDBMZVCRSA-N 2 2 259.397 2.819 20 30 CFEDLP CCC1([NH+](C)C)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602738485 351009214 /nfs/dbraw/zinc/00/92/14/351009214.db2.gz KRRBZBLXESXXHW-UHFFFAOYSA-N 2 2 271.408 2.864 20 30 CFEDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000602738014 351009473 /nfs/dbraw/zinc/00/94/73/351009473.db2.gz FXNAPKVFUZIKJD-UHFFFAOYSA-N 2 2 271.408 2.864 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000602722198 351000234 /nfs/dbraw/zinc/00/02/34/351000234.db2.gz YRFZRHSLJJSIAY-GOEBONIOSA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000602722198 351000239 /nfs/dbraw/zinc/00/02/39/351000239.db2.gz YRFZRHSLJJSIAY-GOEBONIOSA-N 2 2 263.429 2.923 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000611268117 351660691 /nfs/dbraw/zinc/66/06/91/351660691.db2.gz OOSNXYFNUUAZND-GFCCVEGCSA-N 2 2 272.377 2.653 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)s1 ZINC000611268117 351660694 /nfs/dbraw/zinc/66/06/94/351660694.db2.gz OOSNXYFNUUAZND-GFCCVEGCSA-N 2 2 272.377 2.653 20 30 CFEDLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000610992575 351630111 /nfs/dbraw/zinc/63/01/11/351630111.db2.gz RURUXFNNHBAFCN-INIZCTEOSA-N 2 2 296.374 2.600 20 30 CFEDLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000610992575 351630114 /nfs/dbraw/zinc/63/01/14/351630114.db2.gz RURUXFNNHBAFCN-INIZCTEOSA-N 2 2 296.374 2.600 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000611390117 351678925 /nfs/dbraw/zinc/67/89/25/351678925.db2.gz CRNQXIWNCFKMPY-KRWDZBQOSA-N 2 2 269.392 2.621 20 30 CFEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393406 351681219 /nfs/dbraw/zinc/68/12/19/351681219.db2.gz FJZGIZTYUJMMLT-KDOFPFPSSA-N 2 2 283.419 2.867 20 30 CFEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393406 351681222 /nfs/dbraw/zinc/68/12/22/351681222.db2.gz FJZGIZTYUJMMLT-KDOFPFPSSA-N 2 2 283.419 2.867 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000614637272 352108284 /nfs/dbraw/zinc/10/82/84/352108284.db2.gz AAZIDTFQFAZHSQ-NVXWUHKLSA-N 2 2 292.386 2.737 20 30 CFEDLP C#CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000271534318 191198590 /nfs/dbraw/zinc/19/85/90/191198590.db2.gz QBZVREXUXQPJLI-HFTRVMKXSA-N 2 2 268.404 2.966 20 30 CFEDLP C#CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000271534318 191198592 /nfs/dbraw/zinc/19/85/92/191198592.db2.gz QBZVREXUXQPJLI-HFTRVMKXSA-N 2 2 268.404 2.966 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000618804461 352884017 /nfs/dbraw/zinc/88/40/17/352884017.db2.gz ADQCPLSVQDKKNX-DWQUBVKVSA-N 2 2 281.403 2.760 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000618804461 352884024 /nfs/dbraw/zinc/88/40/24/352884024.db2.gz ADQCPLSVQDKKNX-DWQUBVKVSA-N 2 2 281.403 2.760 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)C(C)C ZINC000631039035 355259762 /nfs/dbraw/zinc/25/97/62/355259762.db2.gz BEFKCOQFJWOTTP-INIZCTEOSA-N 2 2 289.423 2.575 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449393991 260491659 /nfs/dbraw/zinc/49/16/59/260491659.db2.gz DENFFGSLSUNLKL-CVEARBPZSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCOCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000294505420 199065611 /nfs/dbraw/zinc/06/56/11/199065611.db2.gz IJOZUISCDOBEDB-AWEZNQCLSA-N 2 2 271.364 2.726 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000177912012 189079233 /nfs/dbraw/zinc/07/92/33/189079233.db2.gz LSTQPXKIWMCUAP-AWEZNQCLSA-N 2 2 274.408 2.996 20 30 CFEDLP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C[NH+](C)C ZINC000425938243 239140448 /nfs/dbraw/zinc/14/04/48/239140448.db2.gz VZSJVMLGZREIQE-RYUDHWBXSA-N 2 2 263.360 2.546 20 30 CFEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1F ZINC000289535766 197392940 /nfs/dbraw/zinc/39/29/40/197392940.db2.gz GWMBBQQCUMQVHC-UHFFFAOYSA-N 2 2 273.355 2.790 20 30 CFEDLP C=CC[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1F ZINC000289535766 197392942 /nfs/dbraw/zinc/39/29/42/197392942.db2.gz GWMBBQQCUMQVHC-UHFFFAOYSA-N 2 2 273.355 2.790 20 30 CFEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1C#N ZINC000075860627 374508951 /nfs/dbraw/zinc/50/89/51/374508951.db2.gz OLPCFWVDFMKYEZ-QGZVFWFLSA-N 2 2 271.408 2.864 20 30 CFEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1C#N ZINC000075860627 374508958 /nfs/dbraw/zinc/50/89/58/374508958.db2.gz OLPCFWVDFMKYEZ-QGZVFWFLSA-N 2 2 271.408 2.864 20 30 CFEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1C#N ZINC000075860627 374508962 /nfs/dbraw/zinc/50/89/62/374508962.db2.gz OLPCFWVDFMKYEZ-QGZVFWFLSA-N 2 2 271.408 2.864 20 30 CFEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1C#N ZINC000075860627 374508967 /nfs/dbraw/zinc/50/89/67/374508967.db2.gz OLPCFWVDFMKYEZ-QGZVFWFLSA-N 2 2 271.408 2.864 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccnc2)CC1 ZINC000092746990 375149111 /nfs/dbraw/zinc/14/91/11/375149111.db2.gz MBBFLMBTAKGMEL-CQSZACIVSA-N 2 2 259.397 2.773 20 30 CFEDLP C[C@H](C#N)C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000264231510 383713205 /nfs/dbraw/zinc/71/32/05/383713205.db2.gz RWDNRBRSEUMFNG-HZPDHXFCSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@H](C#N)C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000264231510 383713208 /nfs/dbraw/zinc/71/32/08/383713208.db2.gz RWDNRBRSEUMFNG-HZPDHXFCSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000119977633 376518416 /nfs/dbraw/zinc/51/84/16/376518416.db2.gz ANEKKFNZXHKBGL-KGLIPLIRSA-N 2 2 260.385 2.706 20 30 CFEDLP C=C(C)COCC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000120584717 376644548 /nfs/dbraw/zinc/64/45/48/376644548.db2.gz ZFULXFHZLNWSPG-WMZOPIPTSA-N 2 2 288.435 2.832 20 30 CFEDLP C=C(C)COCC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000120584717 376644554 /nfs/dbraw/zinc/64/45/54/376644554.db2.gz ZFULXFHZLNWSPG-WMZOPIPTSA-N 2 2 288.435 2.832 20 30 CFEDLP C[C@@H](CC#N)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000129545896 377442481 /nfs/dbraw/zinc/44/24/81/377442481.db2.gz AWWCUAFMWSAFNA-ZDUSSCGKSA-N 2 2 254.337 2.606 20 30 CFEDLP C[C@@H](CC#N)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000129545896 377442488 /nfs/dbraw/zinc/44/24/88/377442488.db2.gz AWWCUAFMWSAFNA-ZDUSSCGKSA-N 2 2 254.337 2.606 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)s1)C2 ZINC000134852175 378054947 /nfs/dbraw/zinc/05/49/47/378054947.db2.gz NWQZZBBPRLFAHI-NWDGAFQWSA-N 2 2 286.404 2.790 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000151217531 378307542 /nfs/dbraw/zinc/30/75/42/378307542.db2.gz VYHFTZNUQLJUGE-KRWDZBQOSA-N 2 2 286.394 2.595 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000151217531 378307545 /nfs/dbraw/zinc/30/75/45/378307545.db2.gz VYHFTZNUQLJUGE-KRWDZBQOSA-N 2 2 286.394 2.595 20 30 CFEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CCO1 ZINC000331215051 378652457 /nfs/dbraw/zinc/65/24/57/378652457.db2.gz NRGSFBRTJZTENG-HIFRSBDPSA-N 2 2 290.411 2.560 20 30 CFEDLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C#N ZINC000332466777 378766727 /nfs/dbraw/zinc/76/67/27/378766727.db2.gz QZMXCDYEXSOQCB-UHFFFAOYSA-N 2 2 296.374 2.670 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1C#N ZINC000335686332 379720696 /nfs/dbraw/zinc/72/06/96/379720696.db2.gz IAMLYBLEFQSQQO-IRXDYDNUSA-N 2 2 269.392 2.583 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)ccc1C#N ZINC000335686332 379720699 /nfs/dbraw/zinc/72/06/99/379720699.db2.gz IAMLYBLEFQSQQO-IRXDYDNUSA-N 2 2 269.392 2.583 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)c(F)c1 ZINC000335727691 379792905 /nfs/dbraw/zinc/79/29/05/379792905.db2.gz GSSAURHOBBIDLE-ZWNOBZJWSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)c(F)c1 ZINC000335727691 379792909 /nfs/dbraw/zinc/79/29/09/379792909.db2.gz GSSAURHOBBIDLE-ZWNOBZJWSA-N 2 2 284.338 2.629 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1F ZINC000335910523 380092882 /nfs/dbraw/zinc/09/28/82/380092882.db2.gz WNKYANGPXNAWME-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000178642276 380473483 /nfs/dbraw/zinc/47/34/83/380473483.db2.gz OYGJYLVZJUFSAC-DOTOQJQBSA-N 2 2 271.408 2.933 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000178642276 380473489 /nfs/dbraw/zinc/47/34/89/380473489.db2.gz OYGJYLVZJUFSAC-DOTOQJQBSA-N 2 2 271.408 2.933 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC#N)cc2)CC1 ZINC000181715964 380875079 /nfs/dbraw/zinc/87/50/79/380875079.db2.gz MGIJWQXNFSMWME-OAHLLOKOSA-N 2 2 299.418 2.890 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000368102621 380923774 /nfs/dbraw/zinc/92/37/74/380923774.db2.gz PHBNDQYGNARURL-HUUCEWRRSA-N 2 2 280.375 2.880 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000368102621 380923777 /nfs/dbraw/zinc/92/37/77/380923777.db2.gz PHBNDQYGNARURL-HUUCEWRRSA-N 2 2 280.375 2.880 20 30 CFEDLP Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C#N ZINC000347121493 380955216 /nfs/dbraw/zinc/95/52/16/380955216.db2.gz GBUYAXSEFFOQEZ-GOSISDBHSA-N 2 2 293.370 2.915 20 30 CFEDLP Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1C#N ZINC000347121493 380955223 /nfs/dbraw/zinc/95/52/23/380955223.db2.gz GBUYAXSEFFOQEZ-GOSISDBHSA-N 2 2 293.370 2.915 20 30 CFEDLP CC#CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000354177878 381121343 /nfs/dbraw/zinc/12/13/43/381121343.db2.gz IWHWHNPFJMNFJX-WBVHZDCISA-N 2 2 256.393 2.510 20 30 CFEDLP CC#CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000354177878 381121354 /nfs/dbraw/zinc/12/13/54/381121354.db2.gz IWHWHNPFJMNFJX-WBVHZDCISA-N 2 2 256.393 2.510 20 30 CFEDLP C=CCOCCC[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000348113829 381464031 /nfs/dbraw/zinc/46/40/31/381464031.db2.gz GVZSWGNNMRYTBV-OAHLLOKOSA-N 2 2 289.423 2.601 20 30 CFEDLP C=CCOCCC[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000348113829 381464039 /nfs/dbraw/zinc/46/40/39/381464039.db2.gz GVZSWGNNMRYTBV-OAHLLOKOSA-N 2 2 289.423 2.601 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000370722793 381498123 /nfs/dbraw/zinc/49/81/23/381498123.db2.gz FBBWNOWVJSEUMY-CQSZACIVSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000370722793 381498129 /nfs/dbraw/zinc/49/81/29/381498129.db2.gz FBBWNOWVJSEUMY-CQSZACIVSA-N 2 2 298.365 2.810 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000371529654 381652803 /nfs/dbraw/zinc/65/28/03/381652803.db2.gz UCFMZSZITQIDPG-QGPMSJSTSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000371529654 381652804 /nfs/dbraw/zinc/65/28/04/381652804.db2.gz UCFMZSZITQIDPG-QGPMSJSTSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000371529654 381652806 /nfs/dbraw/zinc/65/28/06/381652806.db2.gz UCFMZSZITQIDPG-QGPMSJSTSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000371529654 381652808 /nfs/dbraw/zinc/65/28/08/381652808.db2.gz UCFMZSZITQIDPG-QGPMSJSTSA-N 2 2 299.418 2.503 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000361465047 381832214 /nfs/dbraw/zinc/83/22/14/381832214.db2.gz TXGKUVORNJWBQU-ILXRZTDVSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000361465047 381832223 /nfs/dbraw/zinc/83/22/23/381832223.db2.gz TXGKUVORNJWBQU-ILXRZTDVSA-N 2 2 261.413 2.675 20 30 CFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292834810 381856244 /nfs/dbraw/zinc/85/62/44/381856244.db2.gz ASBCOHSSLNMKSM-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292834810 381856251 /nfs/dbraw/zinc/85/62/51/381856251.db2.gz ASBCOHSSLNMKSM-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292834810 381856258 /nfs/dbraw/zinc/85/62/58/381856258.db2.gz ASBCOHSSLNMKSM-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3F)C2)C1 ZINC000292834810 381856263 /nfs/dbraw/zinc/85/62/63/381856263.db2.gz ASBCOHSSLNMKSM-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000372782501 381869148 /nfs/dbraw/zinc/86/91/48/381869148.db2.gz FRIBUPHWRSPHMU-HOTGVXAUSA-N 2 2 289.423 2.593 20 30 CFEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000372782501 381869156 /nfs/dbraw/zinc/86/91/56/381869156.db2.gz FRIBUPHWRSPHMU-HOTGVXAUSA-N 2 2 289.423 2.593 20 30 CFEDLP C=CCCCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376057385 382118716 /nfs/dbraw/zinc/11/87/16/382118716.db2.gz YWMRYKBTEQACAI-ZWKOTPCHSA-N 2 2 293.499 2.691 20 30 CFEDLP C=CCCCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376057385 382118727 /nfs/dbraw/zinc/11/87/27/382118727.db2.gz YWMRYKBTEQACAI-ZWKOTPCHSA-N 2 2 293.499 2.691 20 30 CFEDLP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000364300903 382301731 /nfs/dbraw/zinc/30/17/31/382301731.db2.gz MQMRMUVGXSCNNU-QAPCUYQASA-N 2 2 295.386 2.934 20 30 CFEDLP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000364300903 382301733 /nfs/dbraw/zinc/30/17/33/382301733.db2.gz MQMRMUVGXSCNNU-QAPCUYQASA-N 2 2 295.386 2.934 20 30 CFEDLP C=C(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000352404615 382310603 /nfs/dbraw/zinc/31/06/03/382310603.db2.gz CKPJBBWJQKTAAI-RDJZCZTQSA-N 2 2 273.424 2.848 20 30 CFEDLP C=C(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000352404615 382310606 /nfs/dbraw/zinc/31/06/06/382310606.db2.gz CKPJBBWJQKTAAI-RDJZCZTQSA-N 2 2 273.424 2.848 20 30 CFEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)CCC2 ZINC000365732653 382435587 /nfs/dbraw/zinc/43/55/87/382435587.db2.gz FVBSLNYPCMVRII-QLFBSQMISA-N 2 2 272.396 2.741 20 30 CFEDLP C=C(C)C[N@@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420901297 382491602 /nfs/dbraw/zinc/49/16/02/382491602.db2.gz KPPVTDQQJVOHPE-UHFFFAOYSA-N 2 2 288.435 2.917 20 30 CFEDLP C=C(C)C[N@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420901297 382491609 /nfs/dbraw/zinc/49/16/09/382491609.db2.gz KPPVTDQQJVOHPE-UHFFFAOYSA-N 2 2 288.435 2.917 20 30 CFEDLP C=CCC[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000320647569 382538347 /nfs/dbraw/zinc/53/83/47/382538347.db2.gz OKBHIXBFVHBBJX-MSOLQXFVSA-N 2 2 288.435 2.568 20 30 CFEDLP C=CCC[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000320647569 382538353 /nfs/dbraw/zinc/53/83/53/382538353.db2.gz OKBHIXBFVHBBJX-MSOLQXFVSA-N 2 2 288.435 2.568 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000353390463 382541567 /nfs/dbraw/zinc/54/15/67/382541567.db2.gz USVGOZNLFVYOIG-SQNIBIBYSA-N 2 2 281.403 2.762 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000353390463 382541573 /nfs/dbraw/zinc/54/15/73/382541573.db2.gz USVGOZNLFVYOIG-SQNIBIBYSA-N 2 2 281.403 2.762 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000294962368 382553940 /nfs/dbraw/zinc/55/39/40/382553940.db2.gz JIXLYNMRBNCOAX-HNNXBMFYSA-N 2 2 281.403 2.841 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000294962368 382553946 /nfs/dbraw/zinc/55/39/46/382553946.db2.gz JIXLYNMRBNCOAX-HNNXBMFYSA-N 2 2 281.403 2.841 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CCC[N@@H+]1C ZINC000353675008 382602187 /nfs/dbraw/zinc/60/21/87/382602187.db2.gz JPTSFXUAUODGIR-JLZZUVOBSA-N 2 2 269.392 2.618 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CCC[N@H+]1C ZINC000353675008 382602190 /nfs/dbraw/zinc/60/21/90/382602190.db2.gz JPTSFXUAUODGIR-JLZZUVOBSA-N 2 2 269.392 2.618 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(C#N)ccc3F)CC[C@H]21 ZINC000227336126 382835785 /nfs/dbraw/zinc/83/57/85/382835785.db2.gz MEAZMNHYDVKHRE-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(C#N)ccc3F)CC[C@H]21 ZINC000227336126 382835787 /nfs/dbraw/zinc/83/57/87/382835787.db2.gz MEAZMNHYDVKHRE-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(C#N)ccc3F)CC[C@H]21 ZINC000227336126 382835788 /nfs/dbraw/zinc/83/57/88/382835788.db2.gz MEAZMNHYDVKHRE-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CC[C@H]21 ZINC000227336126 382835789 /nfs/dbraw/zinc/83/57/89/382835789.db2.gz MEAZMNHYDVKHRE-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C[N@@H+]1C1CC1 ZINC000441343502 382907746 /nfs/dbraw/zinc/90/77/46/382907746.db2.gz BMNSEZBQILWSKI-XSCHDIRWSA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C[N@H+]1C1CC1 ZINC000441343502 382907748 /nfs/dbraw/zinc/90/77/48/382907748.db2.gz BMNSEZBQILWSKI-XSCHDIRWSA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423363183 383065172 /nfs/dbraw/zinc/06/51/72/383065172.db2.gz NPKQPPASXICLDN-FSPWUOQZSA-N 2 2 283.419 2.913 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000449165200 383180657 /nfs/dbraw/zinc/18/06/57/383180657.db2.gz UNLUPOFTYZBVRF-CVEARBPZSA-N 2 2 268.445 2.679 20 30 CFEDLP C[N@H+](CCC[NH2+]C[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000566615363 383193828 /nfs/dbraw/zinc/19/38/28/383193828.db2.gz KNJUQSOCRFAVNK-KRWDZBQOSA-N 2 2 284.407 2.542 20 30 CFEDLP C[N@@H+](CCC[NH2+]C[C@H](C#N)CCC#N)Cc1ccccc1 ZINC000566615363 383193835 /nfs/dbraw/zinc/19/38/35/383193835.db2.gz KNJUQSOCRFAVNK-KRWDZBQOSA-N 2 2 284.407 2.542 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449520840 383352971 /nfs/dbraw/zinc/35/29/71/383352971.db2.gz QQKNWGIAWKJISO-DDBAPUKQSA-N 2 2 286.419 2.583 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449520840 383352975 /nfs/dbraw/zinc/35/29/75/383352975.db2.gz QQKNWGIAWKJISO-DDBAPUKQSA-N 2 2 286.419 2.583 20 30 CFEDLP C=CC[NH+](C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000428381149 383462793 /nfs/dbraw/zinc/46/27/93/383462793.db2.gz FPQARXNHAQXINB-UHFFFAOYSA-N 2 2 265.426 2.527 20 30 CFEDLP C=CC[NH+](C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000428381149 383462795 /nfs/dbraw/zinc/46/27/95/383462795.db2.gz FPQARXNHAQXINB-UHFFFAOYSA-N 2 2 265.426 2.527 20 30 CFEDLP C=CC[N@@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000428381149 383462797 /nfs/dbraw/zinc/46/27/97/383462797.db2.gz FPQARXNHAQXINB-UHFFFAOYSA-N 2 2 265.426 2.527 20 30 CFEDLP C=CC[N@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000428381149 383462798 /nfs/dbraw/zinc/46/27/98/383462798.db2.gz FPQARXNHAQXINB-UHFFFAOYSA-N 2 2 265.426 2.527 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000570765899 383632897 /nfs/dbraw/zinc/63/28/97/383632897.db2.gz ONIJZKZITCTMAX-IAGOWNOFSA-N 2 2 294.402 2.756 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2nc3ccccc3nc2C)CC1 ZINC000638525447 384722490 /nfs/dbraw/zinc/72/24/90/384722490.db2.gz YARCRWQAYQAXND-UHFFFAOYSA-N 2 2 296.418 2.678 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271915338 385399939 /nfs/dbraw/zinc/39/99/39/385399939.db2.gz BXYCOTBJCQNYPU-PEBVRCNWSA-N 2 2 287.382 2.831 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271915338 385399942 /nfs/dbraw/zinc/39/99/42/385399942.db2.gz BXYCOTBJCQNYPU-PEBVRCNWSA-N 2 2 287.382 2.831 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)c(F)c1 ZINC000271916396 385400139 /nfs/dbraw/zinc/40/01/39/385400139.db2.gz GOFPPUOBUMJMPL-ZLIFDBKOSA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)c(F)c1 ZINC000271916396 385400142 /nfs/dbraw/zinc/40/01/42/385400142.db2.gz GOFPPUOBUMJMPL-ZLIFDBKOSA-N 2 2 287.382 2.975 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccco1 ZINC000286239716 385576120 /nfs/dbraw/zinc/57/61/20/385576120.db2.gz TWUJNDBHTWFFAH-JKSUJKDBSA-N 2 2 292.423 2.845 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272593223 385570869 /nfs/dbraw/zinc/57/08/69/385570869.db2.gz IAZZNXSEGZCKSI-AEFFLSMTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272593223 385570870 /nfs/dbraw/zinc/57/08/70/385570870.db2.gz IAZZNXSEGZCKSI-AEFFLSMTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272593223 385570873 /nfs/dbraw/zinc/57/08/73/385570873.db2.gz IAZZNXSEGZCKSI-AEFFLSMTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272593223 385570874 /nfs/dbraw/zinc/57/08/74/385570874.db2.gz IAZZNXSEGZCKSI-AEFFLSMTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000281301586 195187935 /nfs/dbraw/zinc/18/79/35/195187935.db2.gz JGZJNITVIDGSOU-UHFFFAOYSA-N 2 2 276.428 2.512 20 30 CFEDLP C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000191613047 130264123 /nfs/dbraw/zinc/26/41/23/130264123.db2.gz ONOMEUVQDTWGBJ-KDOFPFPSSA-N 2 2 296.418 2.678 20 30 CFEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000192054755 130359671 /nfs/dbraw/zinc/35/96/71/130359671.db2.gz WFCZHGGEDGRDLH-GOSISDBHSA-N 2 2 270.420 2.702 20 30 CFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000192054755 130359674 /nfs/dbraw/zinc/35/96/74/130359674.db2.gz WFCZHGGEDGRDLH-GOSISDBHSA-N 2 2 270.420 2.702 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192054755 130359678 /nfs/dbraw/zinc/35/96/78/130359678.db2.gz WFCZHGGEDGRDLH-GOSISDBHSA-N 2 2 270.420 2.702 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192054755 130359682 /nfs/dbraw/zinc/35/96/82/130359682.db2.gz WFCZHGGEDGRDLH-GOSISDBHSA-N 2 2 270.420 2.702 20 30 CFEDLP C=C(C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000268822415 132072259 /nfs/dbraw/zinc/07/22/59/132072259.db2.gz LZOOFFLJAQBJED-HOCLYGCPSA-N 2 2 256.393 2.915 20 30 CFEDLP C=C(C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000268822415 132072260 /nfs/dbraw/zinc/07/22/60/132072260.db2.gz LZOOFFLJAQBJED-HOCLYGCPSA-N 2 2 256.393 2.915 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000079461388 393717768 /nfs/dbraw/zinc/71/77/68/393717768.db2.gz IILUZBSZUDXEOP-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000079461388 393717772 /nfs/dbraw/zinc/71/77/72/393717772.db2.gz IILUZBSZUDXEOP-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000079461388 393717776 /nfs/dbraw/zinc/71/77/76/393717776.db2.gz IILUZBSZUDXEOP-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)[C@H](C)C1 ZINC000079461388 393717778 /nfs/dbraw/zinc/71/77/78/393717778.db2.gz IILUZBSZUDXEOP-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1CC[C@@H](C#N)C1 ZINC000339103513 393819241 /nfs/dbraw/zinc/81/92/41/393819241.db2.gz SMBUKDSRPYHBBR-LAVFITLUSA-N 2 2 298.434 2.698 20 30 CFEDLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1CC[C@@H](C#N)C1 ZINC000339103513 393819248 /nfs/dbraw/zinc/81/92/48/393819248.db2.gz SMBUKDSRPYHBBR-LAVFITLUSA-N 2 2 298.434 2.698 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@H]1CC[C@@H](C#N)C1 ZINC000339103513 393819252 /nfs/dbraw/zinc/81/92/52/393819252.db2.gz SMBUKDSRPYHBBR-LAVFITLUSA-N 2 2 298.434 2.698 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@H]1CC[C@@H](C#N)C1 ZINC000339103513 393819259 /nfs/dbraw/zinc/81/92/59/393819259.db2.gz SMBUKDSRPYHBBR-LAVFITLUSA-N 2 2 298.434 2.698 20 30 CFEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)C1CC1 ZINC000120779503 393940693 /nfs/dbraw/zinc/94/06/93/393940693.db2.gz GSDYWGOERAFAAT-GJZGRUSLSA-N 2 2 259.397 2.841 20 30 CFEDLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000417358137 393950025 /nfs/dbraw/zinc/95/00/25/393950025.db2.gz SLIFYYVBKMIVLR-HNNXBMFYSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H](C)C#N ZINC000346171831 393922676 /nfs/dbraw/zinc/92/26/76/393922676.db2.gz BLAAKNYRFDJIDV-CYBMUJFWSA-N 2 2 283.379 2.557 20 30 CFEDLP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H](C)C#N ZINC000346171831 393922679 /nfs/dbraw/zinc/92/26/79/393922679.db2.gz BLAAKNYRFDJIDV-CYBMUJFWSA-N 2 2 283.379 2.557 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000439444780 394115355 /nfs/dbraw/zinc/11/53/55/394115355.db2.gz CGRLQPIVVHGNMC-CQSZACIVSA-N 2 2 291.826 2.985 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000439444780 394115358 /nfs/dbraw/zinc/11/53/58/394115358.db2.gz CGRLQPIVVHGNMC-CQSZACIVSA-N 2 2 291.826 2.985 20 30 CFEDLP C[NH+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000439444780 394115361 /nfs/dbraw/zinc/11/53/61/394115361.db2.gz CGRLQPIVVHGNMC-CQSZACIVSA-N 2 2 291.826 2.985 20 30 CFEDLP C[NH+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000439444780 394115364 /nfs/dbraw/zinc/11/53/64/394115364.db2.gz CGRLQPIVVHGNMC-CQSZACIVSA-N 2 2 291.826 2.985 20 30 CFEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1Cl ZINC000439441118 394115404 /nfs/dbraw/zinc/11/54/04/394115404.db2.gz PBAJEMQNVIASNW-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1Cl ZINC000439441118 394115406 /nfs/dbraw/zinc/11/54/06/394115406.db2.gz PBAJEMQNVIASNW-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C#N)c(F)c1 ZINC000530216630 394485428 /nfs/dbraw/zinc/48/54/28/394485428.db2.gz CMIJZZAWPYDGSG-ABAIWWIYSA-N 2 2 273.355 2.633 20 30 CFEDLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423374011 285621753 /nfs/dbraw/zinc/62/17/53/285621753.db2.gz CDJLGROLLACFJZ-CXAGYDPISA-N 2 2 271.408 2.913 20 30 CFEDLP C=CCCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471976 413342870 /nfs/dbraw/zinc/34/28/70/413342870.db2.gz AMTBPURNZRROQA-INIZCTEOSA-N 2 2 266.429 2.529 20 30 CFEDLP C=CCCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471976 413342878 /nfs/dbraw/zinc/34/28/78/413342878.db2.gz AMTBPURNZRROQA-INIZCTEOSA-N 2 2 266.429 2.529 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CNCc1[nH]cc(C)[nH+]1)C(C)C ZINC000657307600 413426073 /nfs/dbraw/zinc/42/60/73/413426073.db2.gz QFGKLDROBRMAJP-OAHLLOKOSA-N 2 2 276.428 2.506 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000657658152 413827639 /nfs/dbraw/zinc/82/76/39/413827639.db2.gz NUBYHGZNSCEGDT-SJLPKXTDSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000657658152 413827646 /nfs/dbraw/zinc/82/76/46/413827646.db2.gz NUBYHGZNSCEGDT-SJLPKXTDSA-N 2 2 288.435 2.689 20 30 CFEDLP C=C[C@H](CO)[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000662168750 414441510 /nfs/dbraw/zinc/44/15/10/414441510.db2.gz SQGNWDZBEDBCQN-OAHLLOKOSA-N 2 2 287.407 2.652 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449393991 260491658 /nfs/dbraw/zinc/49/16/58/260491658.db2.gz DENFFGSLSUNLKL-CVEARBPZSA-N 2 2 268.445 2.558 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000361465049 261281157 /nfs/dbraw/zinc/28/11/57/261281157.db2.gz TXGKUVORNJWBQU-QLFBSQMISA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000361465049 261281159 /nfs/dbraw/zinc/28/11/59/261281159.db2.gz TXGKUVORNJWBQU-QLFBSQMISA-N 2 2 261.413 2.675 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C#N)cc1 ZINC000177345762 261348725 /nfs/dbraw/zinc/34/87/25/261348725.db2.gz OINPJJKNIOIOKK-SJORKVTESA-N 2 2 269.392 2.617 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C#N)cc1 ZINC000177345762 261348727 /nfs/dbraw/zinc/34/87/27/261348727.db2.gz OINPJJKNIOIOKK-SJORKVTESA-N 2 2 269.392 2.617 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC000177345762 261348729 /nfs/dbraw/zinc/34/87/29/261348729.db2.gz OINPJJKNIOIOKK-SJORKVTESA-N 2 2 269.392 2.617 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC000177345762 261348733 /nfs/dbraw/zinc/34/87/33/261348733.db2.gz OINPJJKNIOIOKK-SJORKVTESA-N 2 2 269.392 2.617 20 30 CFEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCCC#N)[C@@H](C)C2)s1 ZINC000364917562 262264517 /nfs/dbraw/zinc/26/45/17/262264517.db2.gz QSGRNMOUPCYFLI-SWLSCSKDSA-N 2 2 292.452 2.555 20 30 CFEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCCC#N)[C@@H](C)C2)s1 ZINC000364917562 262264519 /nfs/dbraw/zinc/26/45/19/262264519.db2.gz QSGRNMOUPCYFLI-SWLSCSKDSA-N 2 2 292.452 2.555 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000353674808 263377253 /nfs/dbraw/zinc/37/72/53/263377253.db2.gz XSYQQACUOSVMOP-AWEZNQCLSA-N 2 2 274.412 2.652 20 30 CFEDLP N#Cc1csc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000093492357 265183016 /nfs/dbraw/zinc/18/30/16/265183016.db2.gz SOFKRSOEXILGIA-UHFFFAOYSA-N 2 2 298.415 2.773 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000353504135 266039227 /nfs/dbraw/zinc/03/92/27/266039227.db2.gz QDTFOAUNVWOMQT-AWEZNQCLSA-N 2 2 259.397 2.691 20 30 CFEDLP N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000362727377 267039599 /nfs/dbraw/zinc/03/95/99/267039599.db2.gz RRUQNGDNKZXOPB-IAGOWNOFSA-N 2 2 280.375 2.655 20 30 CFEDLP N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000362727377 267039603 /nfs/dbraw/zinc/03/96/03/267039603.db2.gz RRUQNGDNKZXOPB-IAGOWNOFSA-N 2 2 280.375 2.655 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C#N)cc1 ZINC000530217659 267223641 /nfs/dbraw/zinc/22/36/41/267223641.db2.gz UXVNUXDGCGRRBT-HOTGVXAUSA-N 2 2 269.392 2.884 20 30 CFEDLP Cn1c[nH+]cc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177715331 274900135 /nfs/dbraw/zinc/90/01/35/274900135.db2.gz WSDJIXZQDBKCGK-UHFFFAOYSA-N 2 2 293.292 2.580 20 30 CFEDLP C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000271534323 275385117 /nfs/dbraw/zinc/38/51/17/275385117.db2.gz QBZVREXUXQPJLI-KYJSFNMBSA-N 2 2 268.404 2.966 20 30 CFEDLP C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000271534323 275385119 /nfs/dbraw/zinc/38/51/19/275385119.db2.gz QBZVREXUXQPJLI-KYJSFNMBSA-N 2 2 268.404 2.966 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nccn2CC)CC1 ZINC000297731257 277775928 /nfs/dbraw/zinc/77/59/28/277775928.db2.gz NPHHIXVABUBYFU-CQSZACIVSA-N 2 2 276.428 2.594 20 30 CFEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000278336798 288045572 /nfs/dbraw/zinc/04/55/72/288045572.db2.gz XBRQMGUDKZPZIK-HOTGVXAUSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000278336798 288045574 /nfs/dbraw/zinc/04/55/74/288045574.db2.gz XBRQMGUDKZPZIK-HOTGVXAUSA-N 2 2 257.381 2.693 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000268786763 290027257 /nfs/dbraw/zinc/02/72/57/290027257.db2.gz CUTFBGRTVMOIJR-IIYDPXPESA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000268786763 290027260 /nfs/dbraw/zinc/02/72/60/290027260.db2.gz CUTFBGRTVMOIJR-IIYDPXPESA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000571550531 328134367 /nfs/dbraw/zinc/13/43/67/328134367.db2.gz SBCGSKWPSTWWAV-LISAXSMJSA-N 2 2 298.434 2.574 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000571550531 328134368 /nfs/dbraw/zinc/13/43/68/328134368.db2.gz SBCGSKWPSTWWAV-LISAXSMJSA-N 2 2 298.434 2.574 20 30 CFEDLP N#CCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000264610404 328160880 /nfs/dbraw/zinc/16/08/80/328160880.db2.gz JJPJHQPEFXXQCT-UHFFFAOYSA-N 2 2 296.374 2.623 20 30 CFEDLP N#CCC[C@@H](C#N)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000563710042 328486800 /nfs/dbraw/zinc/48/68/00/328486800.db2.gz UNXMLQRTBHNPMO-ZDUSSCGKSA-N 2 2 281.363 2.529 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000583445613 327370783 /nfs/dbraw/zinc/37/07/83/327370783.db2.gz UEOUFNSOEMVWTL-UHFFFAOYSA-N 2 2 292.398 2.964 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000379646252 330145249 /nfs/dbraw/zinc/14/52/49/330145249.db2.gz FBDAUBZLQIKOQH-GOEBONIOSA-N 2 2 257.381 2.543 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000379646252 330145250 /nfs/dbraw/zinc/14/52/50/330145250.db2.gz FBDAUBZLQIKOQH-GOEBONIOSA-N 2 2 257.381 2.543 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422857011 330157898 /nfs/dbraw/zinc/15/78/98/330157898.db2.gz GJMCUBTUVGYETO-KZNAEPCWSA-N 3 2 291.483 2.537 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccco1 ZINC000423418978 330197799 /nfs/dbraw/zinc/19/77/99/330197799.db2.gz VKZAGFPYICQQSO-HOCLYGCPSA-N 2 2 278.396 2.645 20 30 CFEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423505309 330208790 /nfs/dbraw/zinc/20/87/90/330208790.db2.gz OJXHLJZHAZYEOW-YSVLISHTSA-N 2 2 271.408 2.921 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527948902 330294356 /nfs/dbraw/zinc/29/43/56/330294356.db2.gz MQOICRVJHHXMJO-IJEWVQPXSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527948902 330294357 /nfs/dbraw/zinc/29/43/57/330294357.db2.gz MQOICRVJHHXMJO-IJEWVQPXSA-N 2 2 261.413 2.675 20 30 CFEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000435747611 330662026 /nfs/dbraw/zinc/66/20/26/330662026.db2.gz JZMPGDLZUDXZBW-GOEBONIOSA-N 2 2 285.391 2.714 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)C(C)C ZINC000442711246 330780370 /nfs/dbraw/zinc/78/03/70/330780370.db2.gz RRFDFOJKONGVEM-IXDOHACOSA-N 2 2 275.440 2.967 20 30 CFEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442816980 330785341 /nfs/dbraw/zinc/78/53/41/330785341.db2.gz FXNCOXPNLYNLIA-VKJFTORMSA-N 2 2 298.434 2.889 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000449165202 330902930 /nfs/dbraw/zinc/90/29/30/330902930.db2.gz UNLUPOFTYZBVRF-HZPDHXFCSA-N 2 2 268.445 2.679 20 30 CFEDLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000459363610 331278162 /nfs/dbraw/zinc/27/81/62/331278162.db2.gz RQGIQOZDGSXAIL-MSOLQXFVSA-N 2 2 294.402 2.734 20 30 CFEDLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000459363610 331278163 /nfs/dbraw/zinc/27/81/63/331278163.db2.gz RQGIQOZDGSXAIL-MSOLQXFVSA-N 2 2 294.402 2.734 20 30 CFEDLP CC(C)(CC#N)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000459726264 331295942 /nfs/dbraw/zinc/29/59/42/331295942.db2.gz DPHPXUDYLMCGIH-UHFFFAOYSA-N 2 2 274.393 2.963 20 30 CFEDLP N#CCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000541921604 333801213 /nfs/dbraw/zinc/80/12/13/333801213.db2.gz NHETZYFLEKQBGN-UHFFFAOYSA-N 2 2 280.375 2.998 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000174782060 521713252 /nfs/dbraw/zinc/71/32/52/521713252.db2.gz GWZDQQHRANFJGX-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000174782060 521713253 /nfs/dbraw/zinc/71/32/53/521713253.db2.gz GWZDQQHRANFJGX-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000174782060 521713254 /nfs/dbraw/zinc/71/32/54/521713254.db2.gz GWZDQQHRANFJGX-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000174782060 521713255 /nfs/dbraw/zinc/71/32/55/521713255.db2.gz GWZDQQHRANFJGX-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336379622 523838412 /nfs/dbraw/zinc/83/84/12/523838412.db2.gz NUOWYPKNWQUAHJ-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336379622 523838418 /nfs/dbraw/zinc/83/84/18/523838418.db2.gz NUOWYPKNWQUAHJ-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336379622 523838422 /nfs/dbraw/zinc/83/84/22/523838422.db2.gz NUOWYPKNWQUAHJ-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336379622 523838430 /nfs/dbraw/zinc/83/84/30/523838430.db2.gz NUOWYPKNWQUAHJ-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000334877518 524293565 /nfs/dbraw/zinc/29/35/65/524293565.db2.gz VXZBXLLMTUSICY-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000334877518 524293573 /nfs/dbraw/zinc/29/35/73/524293573.db2.gz VXZBXLLMTUSICY-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP Cc1cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000334951388 524705093 /nfs/dbraw/zinc/70/50/93/524705093.db2.gz NXSMTNRLUFMKLT-MRXNPFEDSA-N 2 2 280.375 2.590 20 30 CFEDLP Cc1cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000334951388 524705103 /nfs/dbraw/zinc/70/51/03/524705103.db2.gz NXSMTNRLUFMKLT-MRXNPFEDSA-N 2 2 280.375 2.590 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)c(O)c2)CC1 ZINC000106245864 526604570 /nfs/dbraw/zinc/60/45/70/526604570.db2.gz UIEVWZZBBLYDCH-UHFFFAOYSA-N 2 2 290.407 2.531 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000334193743 526611401 /nfs/dbraw/zinc/61/14/01/526611401.db2.gz SLXLZYQNSJXUBZ-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000192036471 526615389 /nfs/dbraw/zinc/61/53/89/526615389.db2.gz MEIYKHPLRYLXCN-HNNXBMFYSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000192036471 526615395 /nfs/dbraw/zinc/61/53/95/526615395.db2.gz MEIYKHPLRYLXCN-HNNXBMFYSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000156334787 526617023 /nfs/dbraw/zinc/61/70/23/526617023.db2.gz WPHBAWOTYUQGQE-INIZCTEOSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000156334787 526617025 /nfs/dbraw/zinc/61/70/25/526617025.db2.gz WPHBAWOTYUQGQE-INIZCTEOSA-N 2 2 297.333 2.746 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1Cl ZINC000347104877 526870903 /nfs/dbraw/zinc/87/09/03/526870903.db2.gz LGJIUTBYXNRDKP-CQSZACIVSA-N 2 2 294.826 2.946 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1Cl ZINC000347104877 526870910 /nfs/dbraw/zinc/87/09/10/526870910.db2.gz LGJIUTBYXNRDKP-CQSZACIVSA-N 2 2 294.826 2.946 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000353875438 526889571 /nfs/dbraw/zinc/88/95/71/526889571.db2.gz YWOPHQFIUCQMJM-RDTXWAMCSA-N 2 2 286.419 2.824 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000353875438 526889576 /nfs/dbraw/zinc/88/95/76/526889576.db2.gz YWOPHQFIUCQMJM-RDTXWAMCSA-N 2 2 286.419 2.824 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(O)cccc2OC)CC1 ZINC000730019567 574241890 /nfs/dbraw/zinc/24/18/90/574241890.db2.gz LJPCXCWRNFJZIK-UHFFFAOYSA-N 2 2 290.407 2.531 20 30 CFEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCC#N)CC2)cc1 ZINC000753568364 574404846 /nfs/dbraw/zinc/40/48/46/574404846.db2.gz ORKVHECYVLYGIY-UHFFFAOYSA-N 2 2 286.423 2.615 20 30 CFEDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]CC#Cc1ccccc1 ZINC000051814016 618079170 /nfs/dbraw/zinc/07/91/70/618079170.db2.gz DSOHJYAABRSBMY-QGZVFWFLSA-N 2 2 270.420 2.892 20 30 CFEDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC#Cc1ccccc1 ZINC000051814016 618079175 /nfs/dbraw/zinc/07/91/75/618079175.db2.gz DSOHJYAABRSBMY-QGZVFWFLSA-N 2 2 270.420 2.892 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000177590392 617967318 /nfs/dbraw/zinc/96/73/18/617967318.db2.gz HCVDFGOKMYDEQC-UHFFFAOYSA-N 2 2 295.386 2.685 20 30 CFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccc1)c1ccccc1 ZINC000161480279 618119210 /nfs/dbraw/zinc/11/92/10/618119210.db2.gz NLFKBJCWLSLALH-INIZCTEOSA-N 2 2 282.391 2.716 20 30 CFEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926841192 618735981 /nfs/dbraw/zinc/73/59/81/618735981.db2.gz XNLMXJOCOVSMQM-QAETUUGQSA-N 2 2 260.425 2.785 20 30 CFEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926841192 618735983 /nfs/dbraw/zinc/73/59/83/618735983.db2.gz XNLMXJOCOVSMQM-QAETUUGQSA-N 2 2 260.425 2.785 20 30 CFEDLP CC1(C)[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925815699 619134580 /nfs/dbraw/zinc/13/45/80/619134580.db2.gz YPHZXNFIMMCDFX-KBMXLJTQSA-N 2 2 287.382 2.564 20 30 CFEDLP CC(C)C[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)[NH+](C)C ZINC000924630001 620422764 /nfs/dbraw/zinc/42/27/64/620422764.db2.gz VFFSLSNRLSMIBH-ZIAGYGMSSA-N 2 2 253.434 2.881 20 30 CFEDLP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1)[C@]1(C)CCCCO1 ZINC000902724972 621158121 /nfs/dbraw/zinc/15/81/21/621158121.db2.gz NBDVRTYVKKYNEX-HOTGVXAUSA-N 2 2 277.412 2.767 20 30 CFEDLP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1)[C@@]1(C)CCCCO1 ZINC000902724974 621158414 /nfs/dbraw/zinc/15/84/14/621158414.db2.gz NBDVRTYVKKYNEX-JKSUJKDBSA-N 2 2 277.412 2.767 20 30 CFEDLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902728298 621159508 /nfs/dbraw/zinc/15/95/08/621159508.db2.gz PPUGFKRKVAFTOT-GJZGRUSLSA-N 2 2 286.423 2.868 20 30 CFEDLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902728298 621159509 /nfs/dbraw/zinc/15/95/09/621159509.db2.gz PPUGFKRKVAFTOT-GJZGRUSLSA-N 2 2 286.423 2.868 20 30 CFEDLP C[C@H](CC[NH2+][C@@H](C)c1cc(C#N)ccn1)[NH+]1CCCCC1 ZINC000902951965 621213151 /nfs/dbraw/zinc/21/31/51/621213151.db2.gz RQJRLLNIYVQXIZ-CABCVRRESA-N 2 2 286.423 2.868 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903007804 621228397 /nfs/dbraw/zinc/22/83/97/621228397.db2.gz IGJWTPFCJXDHSS-XKQJLSEDSA-N 2 2 283.375 2.866 20 30 CFEDLP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@]1(C)CCCCO1 ZINC000903022305 621233440 /nfs/dbraw/zinc/23/34/40/621233440.db2.gz HDIXFKOTVCMYCW-CVEARBPZSA-N 2 2 280.456 2.964 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481481 621391908 /nfs/dbraw/zinc/39/19/08/621391908.db2.gz DCQFTSIHLHFHKP-KRWDZBQOSA-N 2 2 283.419 2.939 20 30 CFEDLP CC(C)C[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921517659 625967441 /nfs/dbraw/zinc/96/74/41/625967441.db2.gz DKZAVIKMWSAQAV-UHFFFAOYSA-N 2 2 277.437 2.830 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CCCO1 ZINC000775573610 628041330 /nfs/dbraw/zinc/04/13/30/628041330.db2.gz IDVGWEDBNXNIGZ-ZWKOTPCHSA-N 2 2 290.451 2.554 20 30 CFEDLP CCCCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000783560400 628720558 /nfs/dbraw/zinc/72/05/58/628720558.db2.gz ZUABVTHORYCNQG-UHFFFAOYSA-N 2 2 277.412 2.965 20 30 CFEDLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC000784252492 628795139 /nfs/dbraw/zinc/79/51/39/628795139.db2.gz TUQNRUKREXMOIN-UHFFFAOYSA-N 2 2 299.418 2.649 20 30 CFEDLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(OCC#N)cc1)CC2 ZINC000784252492 628795144 /nfs/dbraw/zinc/79/51/44/628795144.db2.gz TUQNRUKREXMOIN-UHFFFAOYSA-N 2 2 299.418 2.649 20 30 CFEDLP C#CC[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000796639667 629944618 /nfs/dbraw/zinc/94/46/18/629944618.db2.gz MZLALNCMYVAQOL-UHFFFAOYSA-N 2 2 270.420 2.998 20 30 CFEDLP C#CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000796639667 629944619 /nfs/dbraw/zinc/94/46/19/629944619.db2.gz MZLALNCMYVAQOL-UHFFFAOYSA-N 2 2 270.420 2.998 20 30 CFEDLP Cc1cc([N+](=O)[O-])ccc1N[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000807989113 630932286 /nfs/dbraw/zinc/93/22/86/630932286.db2.gz KVBLXNFALSVJDI-UHFFFAOYSA-N 2 2 299.334 2.810 20 30 CFEDLP COc1ccc(O)c(/C=[NH+]/CCCC[N@H+](C)C2CC2)c1 ZINC000840711283 631176008 /nfs/dbraw/zinc/17/60/08/631176008.db2.gz VZQHGXKZEHMTPY-SFQUDFHCSA-N 2 2 276.380 2.694 20 30 CFEDLP COc1ccc(O)c(/C=[NH+]/CCCC[N@@H+](C)C2CC2)c1 ZINC000840711283 631176009 /nfs/dbraw/zinc/17/60/09/631176009.db2.gz VZQHGXKZEHMTPY-SFQUDFHCSA-N 2 2 276.380 2.694 20 30 CFEDLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000810220563 631346573 /nfs/dbraw/zinc/34/65/73/631346573.db2.gz ZWXIRKPDIQEEAW-GUYCJALGSA-N 2 2 269.392 2.619 20 30 CFEDLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000810220563 631346579 /nfs/dbraw/zinc/34/65/79/631346579.db2.gz ZWXIRKPDIQEEAW-GUYCJALGSA-N 2 2 269.392 2.619 20 30 CFEDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OCC#N)cc1 ZINC000817955299 632754649 /nfs/dbraw/zinc/75/46/49/632754649.db2.gz VIXUVOXMPQWUIM-KSSFIOAISA-N 2 2 295.386 2.940 20 30 CFEDLP CCOc1ccc(O)c(/C=[NH+]/C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000846755459 632787175 /nfs/dbraw/zinc/78/71/75/632787175.db2.gz AZXPLMYIEPRSDT-MXWHECSWSA-N 2 2 276.380 2.550 20 30 CFEDLP CCN(CC)c1ccc(C=[NH+]NCCCn2cc[nH+]c2)cc1 ZINC000848419878 633255809 /nfs/dbraw/zinc/25/58/09/633255809.db2.gz HYGHSBHCFDYMTE-UHFFFAOYSA-N 2 2 299.422 2.743 20 30 CFEDLP C#Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575302 633294781 /nfs/dbraw/zinc/29/47/81/633294781.db2.gz OAMMUXQWFJJDDP-MSOLQXFVSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575302 633294785 /nfs/dbraw/zinc/29/47/85/633294785.db2.gz OAMMUXQWFJJDDP-MSOLQXFVSA-N 2 2 268.404 2.774 20 30 CFEDLP CC(=[NH+]Nc1cc[nH+]c(C)c1)c1ccc(N(C)C)cc1 ZINC000863158946 637572648 /nfs/dbraw/zinc/57/26/48/637572648.db2.gz XBACOTRJGWBSHH-UHFFFAOYSA-N 2 2 268.364 2.714 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866260653 638782906 /nfs/dbraw/zinc/78/29/06/638782906.db2.gz ICDBHCIVUOQUBE-IRXDYDNUSA-N 2 2 278.440 2.574 20 30 CFEDLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866381778 638810101 /nfs/dbraw/zinc/81/01/01/638810101.db2.gz OIIZLAXJQODKDZ-CQSZACIVSA-N 2 2 289.423 2.892 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000876955997 643078996 /nfs/dbraw/zinc/07/89/96/643078996.db2.gz DLDSXGCWCVSORL-CVEARBPZSA-N 2 2 293.455 2.549 20 30 CFEDLP C=CCCCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206217 644581342 /nfs/dbraw/zinc/58/13/42/644581342.db2.gz DCRQWAVRNGHKRQ-MRXNPFEDSA-N 2 2 266.429 2.576 20 30 CFEDLP C=CCCCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206217 644581345 /nfs/dbraw/zinc/58/13/45/644581345.db2.gz DCRQWAVRNGHKRQ-MRXNPFEDSA-N 2 2 266.429 2.576 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](OC)CC2)CC1 ZINC000885973036 646790660 /nfs/dbraw/zinc/79/06/60/646790660.db2.gz OJEXYPAGMQZNRF-ZBFHGGJFSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000925498207 647858591 /nfs/dbraw/zinc/85/85/91/647858591.db2.gz NSJKVXCMRYDGEC-LSDHHAIUSA-N 2 2 257.381 2.573 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000924983813 648084058 /nfs/dbraw/zinc/08/40/58/648084058.db2.gz JGBRTLJWFWHXSV-UHFFFAOYSA-N 2 2 278.440 2.574 20 30 CFEDLP N#CC1CCC(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000929991576 649160848 /nfs/dbraw/zinc/16/08/48/649160848.db2.gz HEMWLWKWAUTLKS-YMAMQOFZSA-N 2 2 272.396 2.919 20 30 CFEDLP N#CC1CCC(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000929991576 649160856 /nfs/dbraw/zinc/16/08/56/649160856.db2.gz HEMWLWKWAUTLKS-YMAMQOFZSA-N 2 2 272.396 2.919 20 30 CFEDLP Cc1ccc(C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1C#N ZINC000931313254 649405132 /nfs/dbraw/zinc/40/51/32/649405132.db2.gz ADZXQYALCQXNGU-ROUUACIJSA-N 2 2 283.419 2.640 20 30 CFEDLP CN(CC1CC[NH+](C)CC1)c1[nH+]ccc2ccc(C#N)cc21 ZINC001165041169 721933009 /nfs/dbraw/zinc/93/30/09/721933009.db2.gz IKLMYVRDXASOHX-UHFFFAOYSA-N 2 2 294.402 2.884 20 30 CFEDLP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000925757733 776448692 /nfs/dbraw/zinc/44/86/92/776448692.db2.gz JARFZNLRKJJRFB-GFCCVEGCSA-N 2 2 275.371 2.962 20 30 CFEDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)c(Cl)c1 ZINC001232118337 777445265 /nfs/dbraw/zinc/44/52/65/777445265.db2.gz LYBXIUDSPLLEDO-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)c(Cl)c1 ZINC001232118337 777445274 /nfs/dbraw/zinc/44/52/74/777445274.db2.gz LYBXIUDSPLLEDO-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP CC[NH+](CC)C1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233386573 777929122 /nfs/dbraw/zinc/92/91/22/777929122.db2.gz ZEVJGHJBPMTSTN-UHFFFAOYSA-N 2 2 287.407 2.570 20 30 CFEDLP CCCCCCC/C=C/C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051876 778367040 /nfs/dbraw/zinc/36/70/40/778367040.db2.gz BDTPJBYEGUMSGY-KBOKABMXSA-N 2 2 279.472 2.540 20 30 CFEDLP CCCCCCC/C=C/C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051876 778367043 /nfs/dbraw/zinc/36/70/43/778367043.db2.gz BDTPJBYEGUMSGY-KBOKABMXSA-N 2 2 279.472 2.540 20 30 CFEDLP N#Cc1ccc(O)c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235241318 778427931 /nfs/dbraw/zinc/42/79/31/778427931.db2.gz PJRSQDNQDKZQIV-QGZVFWFLSA-N 2 2 299.418 2.618 20 30 CFEDLP N#CCc1cc[nH+]c(N2CCC([NH3+])(CC3CCC3)CC2)c1 ZINC001161576396 778514772 /nfs/dbraw/zinc/51/47/72/778514772.db2.gz OEGWJKAJICQQGM-UHFFFAOYSA-N 2 2 284.407 2.636 20 30 CFEDLP N#Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1F ZINC001235896016 778596739 /nfs/dbraw/zinc/59/67/39/778596739.db2.gz XLQCQLYCCIDSHL-INIZCTEOSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1F ZINC001235896016 778596741 /nfs/dbraw/zinc/59/67/41/778596741.db2.gz XLQCQLYCCIDSHL-INIZCTEOSA-N 2 2 295.361 2.897 20 30 CFEDLP CCc1cc(C#N)ccc1C[N@@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001236008170 778652681 /nfs/dbraw/zinc/65/26/81/778652681.db2.gz FHSTVBHDXBXCML-KRWDZBQOSA-N 2 2 271.408 2.695 20 30 CFEDLP CCc1cc(C#N)ccc1C[N@H+](CC)[C@H]1CCC[NH2+]C1 ZINC001236008170 778652683 /nfs/dbraw/zinc/65/26/83/778652683.db2.gz FHSTVBHDXBXCML-KRWDZBQOSA-N 2 2 271.408 2.695 20 30 CFEDLP N#Cc1ccc2c(c1)CC[N@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168372820 778697867 /nfs/dbraw/zinc/69/78/67/778697867.db2.gz LEHXIOBIUZSFTG-UHFFFAOYSA-N 2 2 295.430 2.791 20 30 CFEDLP N#Cc1ccc2c(c1)CC[N@@H+](C1CC[NH+](CC3CC3)CC1)C2 ZINC001168372820 778697872 /nfs/dbraw/zinc/69/78/72/778697872.db2.gz LEHXIOBIUZSFTG-UHFFFAOYSA-N 2 2 295.430 2.791 20 30 CFEDLP C=CCCCCCCC[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236333205 778784473 /nfs/dbraw/zinc/78/44/73/778784473.db2.gz JNSQQZZUVUNZIL-MRXNPFEDSA-N 2 2 268.445 2.823 20 30 CFEDLP C=CCCCCCCC[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236333205 778784480 /nfs/dbraw/zinc/78/44/80/778784480.db2.gz JNSQQZZUVUNZIL-MRXNPFEDSA-N 2 2 268.445 2.823 20 30 CFEDLP C#Cc1cccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237154870 779028556 /nfs/dbraw/zinc/02/85/56/779028556.db2.gz GXJFIQKKHSTXLM-GOSISDBHSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1cccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237154870 779028561 /nfs/dbraw/zinc/02/85/61/779028561.db2.gz GXJFIQKKHSTXLM-GOSISDBHSA-N 2 2 268.404 2.774 20 30 CFEDLP C#CCOc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237153449 779028575 /nfs/dbraw/zinc/02/85/75/779028575.db2.gz FLNMYOYUZPSCDB-SFHVURJKSA-N 2 2 298.430 2.805 20 30 CFEDLP C#CCOc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237153449 779028585 /nfs/dbraw/zinc/02/85/85/779028585.db2.gz FLNMYOYUZPSCDB-SFHVURJKSA-N 2 2 298.430 2.805 20 30 CFEDLP N#Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001240160911 779979646 /nfs/dbraw/zinc/97/96/46/779979646.db2.gz QULSQPGWRYZOAD-MRXNPFEDSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1F ZINC001240160911 779979656 /nfs/dbraw/zinc/97/96/56/779979656.db2.gz QULSQPGWRYZOAD-MRXNPFEDSA-N 2 2 295.361 2.897 20 30 CFEDLP C=C[C@H](COC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001116620298 780200219 /nfs/dbraw/zinc/20/02/19/780200219.db2.gz IBQCJUBCIGFISD-UKRRQHHQSA-N 2 2 271.364 2.724 20 30 CFEDLP CN(C)/C=[NH+]/c1ccc(C=C2CC[NH2+]CC2)cc1C#N ZINC001240879001 780497797 /nfs/dbraw/zinc/49/77/97/780497797.db2.gz ZEUCCEBJZLYFAJ-XDHOZWIPSA-N 2 2 268.364 2.546 20 30 CFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709975085 781324877 /nfs/dbraw/zinc/32/48/77/781324877.db2.gz HMIRLEUAVRSRLV-UONOGXRCSA-N 2 2 251.418 2.779 20 30 CFEDLP N#Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242717211 781716862 /nfs/dbraw/zinc/71/68/62/781716862.db2.gz QPASPKCFMJEAPL-QGZVFWFLSA-N 2 2 277.371 2.758 20 30 CFEDLP N#Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242717211 781716866 /nfs/dbraw/zinc/71/68/66/781716866.db2.gz QPASPKCFMJEAPL-QGZVFWFLSA-N 2 2 277.371 2.758 20 30 CFEDLP N#Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001242717272 781717428 /nfs/dbraw/zinc/71/74/28/781717428.db2.gz TXVRBSNYECQCGV-MRXNPFEDSA-N 2 2 277.371 2.758 20 30 CFEDLP N#Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001242717272 781717434 /nfs/dbraw/zinc/71/74/34/781717434.db2.gz TXVRBSNYECQCGV-MRXNPFEDSA-N 2 2 277.371 2.758 20 30 CFEDLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000822658690 781906108 /nfs/dbraw/zinc/90/61/08/781906108.db2.gz QGOSUIWHDLKOIV-GUYCJALGSA-N 2 2 299.418 2.789 20 30 CFEDLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000822658690 781906114 /nfs/dbraw/zinc/90/61/14/781906114.db2.gz QGOSUIWHDLKOIV-GUYCJALGSA-N 2 2 299.418 2.789 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000594522106 349441072 /nfs/dbraw/zinc/44/10/72/349441072.db2.gz HSEUEVTXNHFHLQ-DLBZAZTESA-N 2 2 287.382 2.804 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000594522106 349441075 /nfs/dbraw/zinc/44/10/75/349441075.db2.gz HSEUEVTXNHFHLQ-DLBZAZTESA-N 2 2 287.382 2.804 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594923176 349509673 /nfs/dbraw/zinc/50/96/73/349509673.db2.gz XKDHIHSEPQGTON-UHFFFAOYSA-N 2 2 295.430 2.982 20 30 CFEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000595087804 349577325 /nfs/dbraw/zinc/57/73/25/349577325.db2.gz DTKDWBKXJIMJSG-JYJNAYRXSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595896905 349764047 /nfs/dbraw/zinc/76/40/47/349764047.db2.gz ZFNOEEYXDKBNLV-ZWNOBZJWSA-N 2 2 297.324 2.889 20 30 CFEDLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595896905 349764052 /nfs/dbraw/zinc/76/40/52/349764052.db2.gz ZFNOEEYXDKBNLV-ZWNOBZJWSA-N 2 2 297.324 2.889 20 30 CFEDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269456802 534958101 /nfs/dbraw/zinc/95/81/01/534958101.db2.gz XAJGXYHUVVGPFC-CQSZACIVSA-N 2 2 275.371 2.519 20 30 CFEDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269456802 534958105 /nfs/dbraw/zinc/95/81/05/534958105.db2.gz XAJGXYHUVVGPFC-CQSZACIVSA-N 2 2 275.371 2.519 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000080961586 347389715 /nfs/dbraw/zinc/38/97/15/347389715.db2.gz JCMLQIIARLZJQJ-AWEZNQCLSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000080961586 347389716 /nfs/dbraw/zinc/38/97/16/347389716.db2.gz JCMLQIIARLZJQJ-AWEZNQCLSA-N 2 2 284.338 2.800 20 30 CFEDLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC(C)(C)CCC#N ZINC000229689221 348203142 /nfs/dbraw/zinc/20/31/42/348203142.db2.gz JNZGIIZJNIEBHE-AWEZNQCLSA-N 2 2 251.418 2.780 20 30 CFEDLP C#C[C@@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)C ZINC000367722627 348515016 /nfs/dbraw/zinc/51/50/16/348515016.db2.gz BCAXLXWEZARTFV-CYBMUJFWSA-N 2 2 291.464 2.657 20 30 CFEDLP C#C[C@@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)C ZINC000367722627 348515019 /nfs/dbraw/zinc/51/50/19/348515019.db2.gz BCAXLXWEZARTFV-CYBMUJFWSA-N 2 2 291.464 2.657 20 30 CFEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718556 348740050 /nfs/dbraw/zinc/74/00/50/348740050.db2.gz LJXPRPIYWIXXAF-INIZCTEOSA-N 2 2 293.455 2.503 20 30 CFEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718556 348740051 /nfs/dbraw/zinc/74/00/51/348740051.db2.gz LJXPRPIYWIXXAF-INIZCTEOSA-N 2 2 293.455 2.503 20 30 CFEDLP CC1CC[NH+](Cc2ccccc2C[NH2+]CCC#N)CC1 ZINC000591728038 349040586 /nfs/dbraw/zinc/04/05/86/349040586.db2.gz HCTLSUDQPHAMSG-UHFFFAOYSA-N 2 2 271.408 2.922 20 30 CFEDLP C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[NH2+]1 ZINC000591573269 349030591 /nfs/dbraw/zinc/03/05/91/349030591.db2.gz CYOKUKABUWBIDT-NHYWBVRUSA-N 2 2 277.799 2.832 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000594499736 349432181 /nfs/dbraw/zinc/43/21/81/349432181.db2.gz HWPCTZMHDIJSFC-MRXNPFEDSA-N 2 2 294.402 2.789 20 30 CFEDLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1C#N ZINC000599431806 350435897 /nfs/dbraw/zinc/43/58/97/350435897.db2.gz GGBUTEOVIWIKQY-GOSISDBHSA-N 2 2 283.419 2.784 20 30 CFEDLP Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1C#N ZINC000599431806 350435898 /nfs/dbraw/zinc/43/58/98/350435898.db2.gz GGBUTEOVIWIKQY-GOSISDBHSA-N 2 2 283.419 2.784 20 30 CFEDLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000599431806 350435899 /nfs/dbraw/zinc/43/58/99/350435899.db2.gz GGBUTEOVIWIKQY-GOSISDBHSA-N 2 2 283.419 2.784 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1C#N ZINC000599431806 350435900 /nfs/dbraw/zinc/43/59/00/350435900.db2.gz GGBUTEOVIWIKQY-GOSISDBHSA-N 2 2 283.419 2.784 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000600725948 350602132 /nfs/dbraw/zinc/60/21/32/350602132.db2.gz KVVZZDBDROSKCQ-UONOGXRCSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000600725948 350602134 /nfs/dbraw/zinc/60/21/34/350602134.db2.gz KVVZZDBDROSKCQ-UONOGXRCSA-N 2 2 297.324 2.517 20 30 CFEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000600712786 350600171 /nfs/dbraw/zinc/60/01/71/350600171.db2.gz YVMBOHOHYNLEIK-YESZJQIVSA-N 2 2 269.392 2.666 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600721900 350601620 /nfs/dbraw/zinc/60/16/20/350601620.db2.gz NEYZFMNLTZTKKN-ZIAGYGMSSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600721900 350601623 /nfs/dbraw/zinc/60/16/23/350601623.db2.gz NEYZFMNLTZTKKN-ZIAGYGMSSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600721898 350601658 /nfs/dbraw/zinc/60/16/58/350601658.db2.gz NEYZFMNLTZTKKN-UONOGXRCSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600721898 350601661 /nfs/dbraw/zinc/60/16/61/350601661.db2.gz NEYZFMNLTZTKKN-UONOGXRCSA-N 2 2 297.324 2.517 20 30 CFEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000602482502 350901258 /nfs/dbraw/zinc/90/12/58/350901258.db2.gz HAOPKYFSGVNEDP-ILXRZTDVSA-N 2 2 260.385 2.706 20 30 CFEDLP C[C@H](CCC#N)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000602482502 350901260 /nfs/dbraw/zinc/90/12/60/350901260.db2.gz HAOPKYFSGVNEDP-ILXRZTDVSA-N 2 2 260.385 2.706 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000602510039 350909477 /nfs/dbraw/zinc/90/94/77/350909477.db2.gz IOHYCQWZDRVOSP-HNNXBMFYSA-N 2 2 295.496 2.877 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000602516375 350911804 /nfs/dbraw/zinc/91/18/04/350911804.db2.gz ZZRKGSVQXFSPOH-WXLSXGNJSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@H+]1CCCC[C@H]1C ZINC000602516375 350911808 /nfs/dbraw/zinc/91/18/08/350911808.db2.gz ZZRKGSVQXFSPOH-WXLSXGNJSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000602517776 350912445 /nfs/dbraw/zinc/91/24/45/350912445.db2.gz HBMSHGFLOOBGOI-DOTOQJQBSA-N 2 2 273.424 2.689 20 30 CFEDLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602546540 350919961 /nfs/dbraw/zinc/91/99/61/350919961.db2.gz JJRVBEDGNKJFMK-UHFFFAOYSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000602589024 350937403 /nfs/dbraw/zinc/93/74/03/350937403.db2.gz XUZJHOKKKLELAP-GOEBONIOSA-N 2 2 259.397 2.819 20 30 CFEDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000602738968 351009368 /nfs/dbraw/zinc/00/93/68/351009368.db2.gz NJLPLUITHQQOBG-UHFFFAOYSA-N 2 2 277.437 2.926 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000602636060 350955623 /nfs/dbraw/zinc/95/56/23/350955623.db2.gz DLUVBAYCRMSGKV-AWEZNQCLSA-N 2 2 251.418 2.638 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000602636060 350955628 /nfs/dbraw/zinc/95/56/28/350955628.db2.gz DLUVBAYCRMSGKV-AWEZNQCLSA-N 2 2 251.418 2.638 20 30 CFEDLP N#CCC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000602796085 351028459 /nfs/dbraw/zinc/02/84/59/351028459.db2.gz JWJCRQISFXZZQN-HOCLYGCPSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000602796085 351028461 /nfs/dbraw/zinc/02/84/61/351028461.db2.gz JWJCRQISFXZZQN-HOCLYGCPSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000602796085 351028464 /nfs/dbraw/zinc/02/84/64/351028464.db2.gz JWJCRQISFXZZQN-HOCLYGCPSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000602796085 351028467 /nfs/dbraw/zinc/02/84/67/351028467.db2.gz JWJCRQISFXZZQN-HOCLYGCPSA-N 2 2 273.424 2.629 20 30 CFEDLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000608861123 351479897 /nfs/dbraw/zinc/47/98/97/351479897.db2.gz UNGNHKPUHOFAFZ-MRXNPFEDSA-N 2 2 287.407 2.553 20 30 CFEDLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000608861123 351479900 /nfs/dbraw/zinc/47/99/00/351479900.db2.gz UNGNHKPUHOFAFZ-MRXNPFEDSA-N 2 2 287.407 2.553 20 30 CFEDLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393404 351681535 /nfs/dbraw/zinc/68/15/35/351681535.db2.gz FJZGIZTYUJMMLT-KBXCAEBGSA-N 2 2 283.419 2.867 20 30 CFEDLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393404 351681536 /nfs/dbraw/zinc/68/15/36/351681536.db2.gz FJZGIZTYUJMMLT-KBXCAEBGSA-N 2 2 283.419 2.867 20 30 CFEDLP N#CCc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000612070186 351769007 /nfs/dbraw/zinc/76/90/07/351769007.db2.gz KOGDQAIVUUOKGY-KRWDZBQOSA-N 2 2 280.375 2.786 20 30 CFEDLP N#CCc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000612070186 351769010 /nfs/dbraw/zinc/76/90/10/351769010.db2.gz KOGDQAIVUUOKGY-KRWDZBQOSA-N 2 2 280.375 2.786 20 30 CFEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000612584830 351838969 /nfs/dbraw/zinc/83/89/69/351838969.db2.gz CFYLGLCFSVGYCX-UHFFFAOYSA-N 2 2 296.418 2.662 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000123462226 187093593 /nfs/dbraw/zinc/09/35/93/187093593.db2.gz VQMBRVGVQDORTP-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000123462226 187093594 /nfs/dbraw/zinc/09/35/94/187093594.db2.gz VQMBRVGVQDORTP-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)CC[NH+]1C ZINC000123462226 187093595 /nfs/dbraw/zinc/09/35/95/187093595.db2.gz VQMBRVGVQDORTP-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)CC[NH+]1C ZINC000123462226 187093596 /nfs/dbraw/zinc/09/35/96/187093596.db2.gz VQMBRVGVQDORTP-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000618565392 352810186 /nfs/dbraw/zinc/81/01/86/352810186.db2.gz WCWDMEYCEQIOKK-HOTGVXAUSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000618565392 352810192 /nfs/dbraw/zinc/81/01/92/352810192.db2.gz WCWDMEYCEQIOKK-HOTGVXAUSA-N 2 2 257.381 2.693 20 30 CFEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000618741969 352876142 /nfs/dbraw/zinc/87/61/42/352876142.db2.gz JDZBYSXYTWFZFI-QGZVFWFLSA-N 2 2 288.354 2.983 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804329 352883266 /nfs/dbraw/zinc/88/32/66/352883266.db2.gz KTONFMNOIIOKOX-NXOUGTEYSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618804329 352883269 /nfs/dbraw/zinc/88/32/69/352883269.db2.gz KTONFMNOIIOKOX-NXOUGTEYSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000619748630 353063253 /nfs/dbraw/zinc/06/32/53/353063253.db2.gz PFQHULJMSDVFLD-RISCZKNCSA-N 2 2 289.810 2.926 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[N@H+]1C1CC1 ZINC000619748630 353063254 /nfs/dbraw/zinc/06/32/54/353063254.db2.gz PFQHULJMSDVFLD-RISCZKNCSA-N 2 2 289.810 2.926 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623889473 353750812 /nfs/dbraw/zinc/75/08/12/353750812.db2.gz NXAROXOATJUMKD-CYBMUJFWSA-N 2 2 277.437 2.761 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000623889389 353750882 /nfs/dbraw/zinc/75/08/82/353750882.db2.gz LYHDHOQXJJWNME-LBPRGKRZSA-N 2 2 265.426 2.753 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(O)c(OCC)c2)CC1 ZINC000298261657 200374864 /nfs/dbraw/zinc/37/48/64/200374864.db2.gz FQFMSFLQNHJOLX-UHFFFAOYSA-N 2 2 290.407 2.531 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CC2 ZINC000423254660 238311589 /nfs/dbraw/zinc/31/15/89/238311589.db2.gz ZBEBSNSJIZNDLP-MSOLQXFVSA-N 2 2 277.371 2.835 20 30 CFEDLP C[C@H](C#N)C[NH+](C)Cc1cccc(C[N@@H+](C)C[C@H](C)C#N)c1 ZINC000264205419 383709581 /nfs/dbraw/zinc/70/95/81/383709581.db2.gz KPRMEQOMSCUIRJ-HZPDHXFCSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@H](C#N)C[NH+](C)Cc1cccc(C[N@H+](C)C[C@H](C)C#N)c1 ZINC000264205419 383709588 /nfs/dbraw/zinc/70/95/88/383709588.db2.gz KPRMEQOMSCUIRJ-HZPDHXFCSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119839065 376484706 /nfs/dbraw/zinc/48/47/06/376484706.db2.gz IRDRXXBLIFSEIX-AWEZNQCLSA-N 2 2 263.429 2.875 20 30 CFEDLP C[C@H]1CCC[N@H+]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119839065 376484709 /nfs/dbraw/zinc/48/47/09/376484709.db2.gz IRDRXXBLIFSEIX-AWEZNQCLSA-N 2 2 263.429 2.875 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000127603607 377289409 /nfs/dbraw/zinc/28/94/09/377289409.db2.gz ACRYBZNZIUUPAX-DLCANAPRSA-N 2 2 295.430 2.825 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000127603607 377289415 /nfs/dbraw/zinc/28/94/15/377289415.db2.gz ACRYBZNZIUUPAX-DLCANAPRSA-N 2 2 295.430 2.825 20 30 CFEDLP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922738 378064117 /nfs/dbraw/zinc/06/41/17/378064117.db2.gz VMOHTOQKMRRLDG-TZMCWYRMSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922738 378064122 /nfs/dbraw/zinc/06/41/22/378064122.db2.gz VMOHTOQKMRRLDG-TZMCWYRMSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134922738 378064125 /nfs/dbraw/zinc/06/41/25/378064125.db2.gz VMOHTOQKMRRLDG-TZMCWYRMSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134922738 378064129 /nfs/dbraw/zinc/06/41/29/378064129.db2.gz VMOHTOQKMRRLDG-TZMCWYRMSA-N 2 2 254.805 2.688 20 30 CFEDLP C[N@H+](CCC[NH2+]Cc1ccc(C#N)o1)C1CCCCC1 ZINC000135138681 378089817 /nfs/dbraw/zinc/08/98/17/378089817.db2.gz SSHIRBKSXOVPCK-UHFFFAOYSA-N 2 2 275.396 2.895 20 30 CFEDLP C[N@@H+](CCC[NH2+]Cc1ccc(C#N)o1)C1CCCCC1 ZINC000135138681 378089824 /nfs/dbraw/zinc/08/98/24/378089824.db2.gz SSHIRBKSXOVPCK-UHFFFAOYSA-N 2 2 275.396 2.895 20 30 CFEDLP C=CC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1F ZINC000159770324 378729079 /nfs/dbraw/zinc/72/90/79/378729079.db2.gz CMNLCPVPVSDUGO-UHFFFAOYSA-N 2 2 259.328 2.710 20 30 CFEDLP C=CC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1F ZINC000159770324 378729083 /nfs/dbraw/zinc/72/90/83/378729083.db2.gz CMNLCPVPVSDUGO-UHFFFAOYSA-N 2 2 259.328 2.710 20 30 CFEDLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000334430931 379286135 /nfs/dbraw/zinc/28/61/35/379286135.db2.gz BDTQFJIZHGFZIX-UHFFFAOYSA-N 2 2 269.392 2.618 20 30 CFEDLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000334430931 379286142 /nfs/dbraw/zinc/28/61/42/379286142.db2.gz BDTQFJIZHGFZIX-UHFFFAOYSA-N 2 2 269.392 2.618 20 30 CFEDLP Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1C#N ZINC000334493068 379386048 /nfs/dbraw/zinc/38/60/48/379386048.db2.gz BCTTWEBYJRCNTG-UHFFFAOYSA-N 2 2 280.375 2.969 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000174208962 379844314 /nfs/dbraw/zinc/84/43/14/379844314.db2.gz JRFZXBSCBDQOOU-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000174208962 379844320 /nfs/dbraw/zinc/84/43/20/379844320.db2.gz JRFZXBSCBDQOOU-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(OC)cc32)CC1 ZINC000177907070 380392814 /nfs/dbraw/zinc/39/28/14/380392814.db2.gz UYQIEFVEWRZCFC-GOSISDBHSA-N 2 2 286.419 2.923 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542478 380675052 /nfs/dbraw/zinc/67/50/52/380675052.db2.gz NZOHOJFBRVBXMH-IJEWVQPXSA-N 2 2 299.418 2.865 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542478 380675059 /nfs/dbraw/zinc/67/50/59/380675059.db2.gz NZOHOJFBRVBXMH-IJEWVQPXSA-N 2 2 299.418 2.865 20 30 CFEDLP C#CCSCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181095918 380738274 /nfs/dbraw/zinc/73/82/74/380738274.db2.gz GMCZOBQKKTXWNQ-CQSZACIVSA-N 2 2 285.416 2.889 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccco3)CC2)cc1 ZINC000181393176 380785306 /nfs/dbraw/zinc/78/53/06/380785306.db2.gz QPSIWICEDMYVAK-UHFFFAOYSA-N 2 2 295.386 2.905 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000181716989 380873589 /nfs/dbraw/zinc/87/35/89/380873589.db2.gz CVIPUJVACOBPAP-HOTGVXAUSA-N 2 2 280.456 2.820 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358561595 380930581 /nfs/dbraw/zinc/93/05/81/380930581.db2.gz GQLCYHFTUJIBKK-OBJOEFQTSA-N 2 2 275.371 2.831 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358561595 380930588 /nfs/dbraw/zinc/93/05/88/380930588.db2.gz GQLCYHFTUJIBKK-OBJOEFQTSA-N 2 2 275.371 2.831 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368099213 380922158 /nfs/dbraw/zinc/92/21/58/380922158.db2.gz DZHSVQOXIGDCLZ-HIFRSBDPSA-N 2 2 295.386 2.630 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368099213 380922170 /nfs/dbraw/zinc/92/21/70/380922170.db2.gz DZHSVQOXIGDCLZ-HIFRSBDPSA-N 2 2 295.386 2.630 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]CCCc2ccc(C)nc2)CC1 ZINC000354330695 381207585 /nfs/dbraw/zinc/20/75/85/381207585.db2.gz OTWFPYBREYHVFC-UHFFFAOYSA-N 2 2 273.424 2.563 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000354330695 381207599 /nfs/dbraw/zinc/20/75/99/381207599.db2.gz OTWFPYBREYHVFC-UHFFFAOYSA-N 3 2 273.424 2.563 20 30 CFEDLP C=CCOc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000290643632 381508471 /nfs/dbraw/zinc/50/84/71/381508471.db2.gz YPKYFSPCACAOOR-UHFFFAOYSA-N 2 2 285.391 2.970 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000290643632 381508476 /nfs/dbraw/zinc/50/84/76/381508476.db2.gz YPKYFSPCACAOOR-UHFFFAOYSA-N 2 2 285.391 2.970 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000342810135 381558441 /nfs/dbraw/zinc/55/84/41/381558441.db2.gz OUGTXQZAHHVHDI-GUYCJALGSA-N 2 2 281.403 2.620 20 30 CFEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000342810135 381558445 /nfs/dbraw/zinc/55/84/45/381558445.db2.gz OUGTXQZAHHVHDI-GUYCJALGSA-N 2 2 281.403 2.620 20 30 CFEDLP C=CCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361443171 381829383 /nfs/dbraw/zinc/82/93/83/381829383.db2.gz PHAQKMXEFRNLJE-UHFFFAOYSA-N 2 2 264.335 2.959 20 30 CFEDLP C=C(Cl)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000362038357 381881448 /nfs/dbraw/zinc/88/14/48/381881448.db2.gz KZMXOTRGJJWZIP-UHFFFAOYSA-N 2 2 289.810 2.865 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](C#N)CCC#N ZINC000361666176 381855078 /nfs/dbraw/zinc/85/50/78/381855078.db2.gz CPFAPRNCWZCDCP-HZPDHXFCSA-N 2 2 299.422 2.914 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](C#N)CCC#N ZINC000361666176 381855088 /nfs/dbraw/zinc/85/50/88/381855088.db2.gz CPFAPRNCWZCDCP-HZPDHXFCSA-N 2 2 299.422 2.914 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccccc2)C[C@H]1C ZINC000361837014 381865672 /nfs/dbraw/zinc/86/56/72/381865672.db2.gz JFIBJMCZWPYWHF-AEFFLSMTSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccccc2)C[C@H]1C ZINC000361837014 381865682 /nfs/dbraw/zinc/86/56/82/381865682.db2.gz JFIBJMCZWPYWHF-AEFFLSMTSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccccc2)C[C@H]1C ZINC000361837014 381865689 /nfs/dbraw/zinc/86/56/89/381865689.db2.gz JFIBJMCZWPYWHF-AEFFLSMTSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C[C@H]1C ZINC000361837014 381865696 /nfs/dbraw/zinc/86/56/96/381865696.db2.gz JFIBJMCZWPYWHF-AEFFLSMTSA-N 2 2 270.420 2.843 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000373108244 381927878 /nfs/dbraw/zinc/92/78/78/381927878.db2.gz ASHYASXMHZCJOY-OAHLLOKOSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000373108244 381927884 /nfs/dbraw/zinc/92/78/84/381927884.db2.gz ASHYASXMHZCJOY-OAHLLOKOSA-N 2 2 298.365 2.810 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000375466566 382088778 /nfs/dbraw/zinc/08/87/78/382088778.db2.gz FCNOGXLWHJFVLY-BPQIPLTHSA-N 2 2 292.467 2.822 20 30 CFEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(C#N)c1)CCC2 ZINC000377830279 382353452 /nfs/dbraw/zinc/35/34/52/382353452.db2.gz CJCKLNLWXTWIAK-MRXNPFEDSA-N 2 2 280.375 2.730 20 30 CFEDLP C=CCOCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000294016869 382379845 /nfs/dbraw/zinc/37/98/45/382379845.db2.gz HBCBZWOATJJLLE-OAHLLOKOSA-N 2 2 289.423 2.601 20 30 CFEDLP C=CCOCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000294016869 382379853 /nfs/dbraw/zinc/37/98/53/382379853.db2.gz HBCBZWOATJJLLE-OAHLLOKOSA-N 2 2 289.423 2.601 20 30 CFEDLP C=C(C)C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420946689 382501621 /nfs/dbraw/zinc/50/16/21/382501621.db2.gz NWLJGFJRIYPFTQ-UHFFFAOYSA-N 2 2 274.408 2.527 20 30 CFEDLP C=C(C)C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420946689 382501627 /nfs/dbraw/zinc/50/16/27/382501627.db2.gz NWLJGFJRIYPFTQ-UHFFFAOYSA-N 2 2 274.408 2.527 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000366639027 382535365 /nfs/dbraw/zinc/53/53/65/382535365.db2.gz MXMLEIHXPOSPIU-RDJZCZTQSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000366639027 382535368 /nfs/dbraw/zinc/53/53/68/382535368.db2.gz MXMLEIHXPOSPIU-RDJZCZTQSA-N 2 2 283.419 2.933 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C#N)C[C@H]1C ZINC000353747254 382623554 /nfs/dbraw/zinc/62/35/54/382623554.db2.gz FLFZYGKKVKLHCM-PBHICJAKSA-N 2 2 271.408 2.863 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C#N)C[C@H]1C ZINC000353747254 382623555 /nfs/dbraw/zinc/62/35/55/382623555.db2.gz FLFZYGKKVKLHCM-PBHICJAKSA-N 2 2 271.408 2.863 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C[C@H]1C ZINC000353747254 382623557 /nfs/dbraw/zinc/62/35/57/382623557.db2.gz FLFZYGKKVKLHCM-PBHICJAKSA-N 2 2 271.408 2.863 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C[C@H]1C ZINC000353747254 382623558 /nfs/dbraw/zinc/62/35/58/382623558.db2.gz FLFZYGKKVKLHCM-PBHICJAKSA-N 2 2 271.408 2.863 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000190937984 382685410 /nfs/dbraw/zinc/68/54/10/382685410.db2.gz ULBOVTKRRRDVKN-HNNXBMFYSA-N 2 2 260.381 2.897 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442649565 382941088 /nfs/dbraw/zinc/94/10/88/382941088.db2.gz MTJOPVZNRYXASS-ZIAGYGMSSA-N 2 2 268.364 2.627 20 30 CFEDLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237086691 382949977 /nfs/dbraw/zinc/94/99/77/382949977.db2.gz DGYFGRCQGVDIBN-INIZCTEOSA-N 2 2 287.407 2.553 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237086691 382949981 /nfs/dbraw/zinc/94/99/81/382949981.db2.gz DGYFGRCQGVDIBN-INIZCTEOSA-N 2 2 287.407 2.553 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000442791905 382958158 /nfs/dbraw/zinc/95/81/58/382958158.db2.gz KXOLLLKGDBFKFL-SQNIBIBYSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000442791905 382958159 /nfs/dbraw/zinc/95/81/59/382958159.db2.gz KXOLLLKGDBFKFL-SQNIBIBYSA-N 2 2 283.419 2.933 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3C#N)CC[C@H]21 ZINC000248137800 383213060 /nfs/dbraw/zinc/21/30/60/383213060.db2.gz PFZJPZZLROYVRD-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3C#N)CC[C@H]21 ZINC000248137800 383213063 /nfs/dbraw/zinc/21/30/63/383213063.db2.gz PFZJPZZLROYVRD-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)CC[C@H]21 ZINC000248137800 383213066 /nfs/dbraw/zinc/21/30/66/383213066.db2.gz PFZJPZZLROYVRD-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)CC[C@H]21 ZINC000248137800 383213070 /nfs/dbraw/zinc/21/30/70/383213070.db2.gz PFZJPZZLROYVRD-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C#N)cc1F ZINC000424375110 383205228 /nfs/dbraw/zinc/20/52/28/383205228.db2.gz MFTYERORYVCOFM-VCTAVGKDSA-N 2 2 261.344 2.618 20 30 CFEDLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(C#N)CC3)CC2)C1 ZINC000562391667 383158191 /nfs/dbraw/zinc/15/81/91/383158191.db2.gz PZWCEZHAEHYGPO-GDBMZVCRSA-N 2 2 275.440 2.923 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@H]1C)C(C)C ZINC000449078920 383165560 /nfs/dbraw/zinc/16/55/60/383165560.db2.gz WVGVLHZLITWNHL-MWDXBVQZSA-N 2 2 280.456 2.841 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCOC[C@H]1C)C(C)C ZINC000248838240 383295722 /nfs/dbraw/zinc/29/57/22/383295722.db2.gz HHXIMQRDVSSYFE-IXDOHACOSA-N 2 2 280.456 2.700 20 30 CFEDLP CC[C@H](C)[NH2+][C@H](CNc1cc(C)[nH+]cc1C#N)c1ccco1 ZINC000425255897 383351242 /nfs/dbraw/zinc/35/12/42/383351242.db2.gz QNAYAQDZGFQJMT-BLLLJJGKSA-N 2 2 298.390 2.818 20 30 CFEDLP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000480564754 383419247 /nfs/dbraw/zinc/41/92/47/383419247.db2.gz RNDLGBKMZKBMDQ-OALUTQOASA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000480564754 383419251 /nfs/dbraw/zinc/41/92/51/383419251.db2.gz RNDLGBKMZKBMDQ-OALUTQOASA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480564754 383419258 /nfs/dbraw/zinc/41/92/58/383419258.db2.gz RNDLGBKMZKBMDQ-OALUTQOASA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480564754 383419262 /nfs/dbraw/zinc/41/92/62/383419262.db2.gz RNDLGBKMZKBMDQ-OALUTQOASA-N 2 2 282.431 2.996 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C#N)c(C)c1 ZINC000488174495 383503239 /nfs/dbraw/zinc/50/32/39/383503239.db2.gz WYYWMTQCXNOGET-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C#N)c(C)c1 ZINC000488174495 383503243 /nfs/dbraw/zinc/50/32/43/383503243.db2.gz WYYWMTQCXNOGET-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(C)c1 ZINC000488174495 383503248 /nfs/dbraw/zinc/50/32/48/383503248.db2.gz WYYWMTQCXNOGET-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(C)c1 ZINC000488174495 383503252 /nfs/dbraw/zinc/50/32/52/383503252.db2.gz WYYWMTQCXNOGET-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP Cc1[nH+]cc(C[NH2+]CC2(CC#N)CC2)n1-c1ccccc1 ZINC000430020893 383584102 /nfs/dbraw/zinc/58/41/02/383584102.db2.gz QFFQWGDUYKJGOP-UHFFFAOYSA-N 2 2 280.375 2.964 20 30 CFEDLP C=CCCCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000572573016 383793622 /nfs/dbraw/zinc/79/36/22/383793622.db2.gz RTZGXCQSNYVOGN-UHFFFAOYSA-N 2 2 259.397 2.868 20 30 CFEDLP N#Cc1ccccc1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265479201 383927402 /nfs/dbraw/zinc/92/74/02/383927402.db2.gz KLDGQMNFMGSLOP-UHFFFAOYSA-N 2 2 296.374 2.540 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265518278 383937349 /nfs/dbraw/zinc/93/73/49/383937349.db2.gz SFEWIMANOAZEEM-UHFFFAOYSA-N 2 2 266.348 2.661 20 30 CFEDLP C#CCOc1ccc(C[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000270040994 384954825 /nfs/dbraw/zinc/95/48/25/384954825.db2.gz ZWIXJUYIRVVLSI-UHFFFAOYSA-N 2 2 280.371 2.734 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000289247265 197274858 /nfs/dbraw/zinc/27/48/58/197274858.db2.gz ATENEUWTUHLSLV-QGZVFWFLSA-N 2 2 285.435 2.684 20 30 CFEDLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000271958642 385411754 /nfs/dbraw/zinc/41/17/54/385411754.db2.gz SXVGWXWECGBRKL-LBPRGKRZSA-N 2 2 272.327 2.635 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271978767 385416903 /nfs/dbraw/zinc/41/69/03/385416903.db2.gz WIYMAFQHZSYZBZ-ZDUSSCGKSA-N 2 2 287.382 2.998 20 30 CFEDLP C[N@@H+](CC#Cc1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC000281215284 195152971 /nfs/dbraw/zinc/15/29/71/195152971.db2.gz DLJOJXBFHNSDEW-UHFFFAOYSA-N 2 2 274.383 2.595 20 30 CFEDLP C[N@H+](CC#Cc1ccc(F)cc1)CCC[NH+]1CCCC1 ZINC000281215284 195152972 /nfs/dbraw/zinc/15/29/72/195152972.db2.gz DLJOJXBFHNSDEW-UHFFFAOYSA-N 2 2 274.383 2.595 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(F)c1 ZINC000269451488 132172805 /nfs/dbraw/zinc/17/28/05/132172805.db2.gz VWRIMKQVVAYTHF-UHFFFAOYSA-N 2 2 284.338 2.684 20 30 CFEDLP C#CCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182014420 393505469 /nfs/dbraw/zinc/50/54/69/393505469.db2.gz FOHKNVAHAWYXEV-UHFFFAOYSA-N 2 2 295.430 2.916 20 30 CFEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC3(C#N)CC3)C2)CC1 ZINC000343319051 393883823 /nfs/dbraw/zinc/88/38/23/393883823.db2.gz IIXYEUWDQINRJI-MRXNPFEDSA-N 2 2 275.440 2.734 20 30 CFEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)CC1 ZINC000343319051 393883825 /nfs/dbraw/zinc/88/38/25/393883825.db2.gz IIXYEUWDQINRJI-MRXNPFEDSA-N 2 2 275.440 2.734 20 30 CFEDLP C[C@@H](CC#N)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346149280 393921544 /nfs/dbraw/zinc/92/15/44/393921544.db2.gz WMTFLISZVGZYNN-NSHDSACASA-N 2 2 260.366 2.668 20 30 CFEDLP C[C@@H](CC#N)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346149280 393921546 /nfs/dbraw/zinc/92/15/46/393921546.db2.gz WMTFLISZVGZYNN-NSHDSACASA-N 2 2 260.366 2.668 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000349179687 393964751 /nfs/dbraw/zinc/96/47/51/393964751.db2.gz CENROUFQYSDVJM-INIZCTEOSA-N 2 2 297.402 2.974 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000349179687 393964755 /nfs/dbraw/zinc/96/47/55/393964755.db2.gz CENROUFQYSDVJM-INIZCTEOSA-N 2 2 297.402 2.974 20 30 CFEDLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000358223384 394097899 /nfs/dbraw/zinc/09/78/99/394097899.db2.gz IPMWDGASTJQJPA-HNNXBMFYSA-N 2 2 269.392 2.861 20 30 CFEDLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000358223384 394097901 /nfs/dbraw/zinc/09/79/01/394097901.db2.gz IPMWDGASTJQJPA-HNNXBMFYSA-N 2 2 269.392 2.861 20 30 CFEDLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439437373 394115311 /nfs/dbraw/zinc/11/53/11/394115311.db2.gz JYPZHJHRZMWTAW-CYBMUJFWSA-N 2 2 277.799 2.595 20 30 CFEDLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439437373 394115315 /nfs/dbraw/zinc/11/53/15/394115315.db2.gz JYPZHJHRZMWTAW-CYBMUJFWSA-N 2 2 277.799 2.595 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151118327 394261274 /nfs/dbraw/zinc/26/12/74/394261274.db2.gz MKQKOBCFVMUYDC-ZBFHGGJFSA-N 2 2 286.419 2.966 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151118327 394261278 /nfs/dbraw/zinc/26/12/78/394261278.db2.gz MKQKOBCFVMUYDC-ZBFHGGJFSA-N 2 2 286.419 2.966 20 30 CFEDLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423550923 394296446 /nfs/dbraw/zinc/29/64/46/394296446.db2.gz IPHSHODTRDSHMU-JKSUJKDBSA-N 2 2 257.381 2.741 20 30 CFEDLP C=CCOc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1Cl ZINC000663502894 413249399 /nfs/dbraw/zinc/24/93/99/413249399.db2.gz ZHCYAGCYGSHUAO-UHFFFAOYSA-N 2 2 292.810 2.746 20 30 CFEDLP C=CCCCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653690332 413448105 /nfs/dbraw/zinc/44/81/05/413448105.db2.gz NIBXTSFNKBZOQV-OAHLLOKOSA-N 2 2 266.429 2.528 20 30 CFEDLP C=CCCCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653690332 413448113 /nfs/dbraw/zinc/44/81/13/413448113.db2.gz NIBXTSFNKBZOQV-OAHLLOKOSA-N 2 2 266.429 2.528 20 30 CFEDLP C=CCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657461760 413637595 /nfs/dbraw/zinc/63/75/95/413637595.db2.gz ZHUPSAJMHWZMJJ-UHFFFAOYSA-N 2 2 283.375 2.684 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037213924 173034345 /nfs/dbraw/zinc/03/43/45/173034345.db2.gz GVQDQBHHNVOMLJ-BBRMVZONSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037213924 173034347 /nfs/dbraw/zinc/03/43/47/173034347.db2.gz GVQDQBHHNVOMLJ-BBRMVZONSA-N 2 2 257.381 2.693 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccco1 ZINC000285758130 196389613 /nfs/dbraw/zinc/38/96/13/196389613.db2.gz RZXUYZCVKYNOHX-OAHLLOKOSA-N 2 2 280.412 2.845 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccco1 ZINC000285758130 196389614 /nfs/dbraw/zinc/38/96/14/196389614.db2.gz RZXUYZCVKYNOHX-OAHLLOKOSA-N 2 2 280.412 2.845 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657981411 414086999 /nfs/dbraw/zinc/08/69/99/414086999.db2.gz QSNHSNNVCMWCRH-KFWWJZLASA-N 2 2 259.397 2.922 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000658026401 414111536 /nfs/dbraw/zinc/11/15/36/414111536.db2.gz UEXXOTSODBCKED-IKGGRYGDSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000658026401 414111542 /nfs/dbraw/zinc/11/15/42/414111542.db2.gz UEXXOTSODBCKED-IKGGRYGDSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655735832 414400750 /nfs/dbraw/zinc/40/07/50/414400750.db2.gz KNDYPFSUFFLPGA-RDJZCZTQSA-N 2 2 280.456 2.964 20 30 CFEDLP C=CC[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCC[NH2+]1 ZINC000662672504 414590121 /nfs/dbraw/zinc/59/01/21/414590121.db2.gz AEPVPAAHPJZIOE-KRWDZBQOSA-N 2 2 296.374 2.509 20 30 CFEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000071114538 176034426 /nfs/dbraw/zinc/03/44/26/176034426.db2.gz BLKBUMRXPCNEMM-UHFFFAOYSA-N 2 2 297.402 2.807 20 30 CFEDLP C#CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000071114538 176034427 /nfs/dbraw/zinc/03/44/27/176034427.db2.gz BLKBUMRXPCNEMM-UHFFFAOYSA-N 2 2 297.402 2.807 20 30 CFEDLP C=CCC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000130552979 260398694 /nfs/dbraw/zinc/39/86/94/260398694.db2.gz FYWFVWXYOCQUPK-AWEZNQCLSA-N 2 2 259.397 2.995 20 30 CFEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000185711313 262068081 /nfs/dbraw/zinc/06/80/81/262068081.db2.gz WMKMDDVVYIIGMM-UONOGXRCSA-N 2 2 268.364 2.549 20 30 CFEDLP C=CCCCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000364191373 262182404 /nfs/dbraw/zinc/18/24/04/262182404.db2.gz SFXUBXPIKWWTDH-UHFFFAOYSA-N 2 2 273.424 2.992 20 30 CFEDLP C[C@@H]1CC[N@H+](CCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000271948765 263000699 /nfs/dbraw/zinc/00/06/99/263000699.db2.gz ANEKKFNZXHKBGL-ZIAGYGMSSA-N 2 2 260.385 2.706 20 30 CFEDLP C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000271948765 263000700 /nfs/dbraw/zinc/00/07/00/263000700.db2.gz ANEKKFNZXHKBGL-ZIAGYGMSSA-N 2 2 260.385 2.706 20 30 CFEDLP C[C@@H]([NH2+]CCCC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271976530 263000900 /nfs/dbraw/zinc/00/09/00/263000900.db2.gz IPLALWBAVPQMCG-CYBMUJFWSA-N 2 2 254.337 2.827 20 30 CFEDLP N#CC1CCC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000282185382 263074840 /nfs/dbraw/zinc/07/48/40/263074840.db2.gz FXUVGEDEOPSGEM-UHFFFAOYSA-N 2 2 298.434 2.970 20 30 CFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCCCF)cc1 ZINC000284070050 263085764 /nfs/dbraw/zinc/08/57/64/263085764.db2.gz KBEWFXHXJFRTPT-UHFFFAOYSA-N 2 2 281.375 2.525 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1Cl ZINC000414874147 263087852 /nfs/dbraw/zinc/08/78/52/263087852.db2.gz YOJFTSCATTUDPZ-ZDUSSCGKSA-N 2 2 280.799 2.746 20 30 CFEDLP C[C@H](CCC#N)[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000298456415 263219736 /nfs/dbraw/zinc/21/97/36/263219736.db2.gz HTZVHWFYGQMWSA-KBMXLJTQSA-N 2 2 257.381 2.714 20 30 CFEDLP C[C@H](CCC#N)[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000298456415 263219737 /nfs/dbraw/zinc/21/97/37/263219737.db2.gz HTZVHWFYGQMWSA-KBMXLJTQSA-N 2 2 257.381 2.714 20 30 CFEDLP C[N@@H+]1CCC[C@H](C[NH2+]CCC#N)[C@H]1c1ccccc1 ZINC000367490304 267094934 /nfs/dbraw/zinc/09/49/34/267094934.db2.gz SAJYTZPQLQVNPT-HZPDHXFCSA-N 2 2 257.381 2.573 20 30 CFEDLP C[N@H+]1CCC[C@H](C[NH2+]CCC#N)[C@H]1c1ccccc1 ZINC000367490304 267094937 /nfs/dbraw/zinc/09/49/37/267094937.db2.gz SAJYTZPQLQVNPT-HZPDHXFCSA-N 2 2 257.381 2.573 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000368051877 267143049 /nfs/dbraw/zinc/14/30/49/267143049.db2.gz QRQOCNWQCSMDHB-MRXNPFEDSA-N 2 2 276.449 2.960 20 30 CFEDLP C#CCCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000370686357 267338509 /nfs/dbraw/zinc/33/85/09/267338509.db2.gz SWBXJZJITDADLP-UHFFFAOYSA-N 2 2 262.422 2.716 20 30 CFEDLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423391389 273579984 /nfs/dbraw/zinc/57/99/84/273579984.db2.gz PINIIEFJVADUJV-IRXDYDNUSA-N 2 2 283.419 2.913 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000218133447 278274513 /nfs/dbraw/zinc/27/45/13/278274513.db2.gz ZMKFWIIEXXTNQW-XKQJLSEDSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000218133447 278274514 /nfs/dbraw/zinc/27/45/14/278274514.db2.gz ZMKFWIIEXXTNQW-XKQJLSEDSA-N 2 2 269.392 2.836 20 30 CFEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000278336801 280188884 /nfs/dbraw/zinc/18/88/84/280188884.db2.gz XBRQMGUDKZPZIK-JKSUJKDBSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000278336801 280188888 /nfs/dbraw/zinc/18/88/88/280188888.db2.gz XBRQMGUDKZPZIK-JKSUJKDBSA-N 2 2 257.381 2.693 20 30 CFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000515564850 281295295 /nfs/dbraw/zinc/29/52/95/281295295.db2.gz SYNNQTAWUUKIJA-UHFFFAOYSA-N 2 2 299.340 2.961 20 30 CFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000515564850 281295296 /nfs/dbraw/zinc/29/52/96/281295296.db2.gz SYNNQTAWUUKIJA-UHFFFAOYSA-N 2 2 299.340 2.961 20 30 CFEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(C#N)cs1)CCC2 ZINC000331626268 281547998 /nfs/dbraw/zinc/54/79/98/281547998.db2.gz SQFBRISMTIHEFR-CYBMUJFWSA-N 2 2 286.404 2.792 20 30 CFEDLP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000564822256 290236708 /nfs/dbraw/zinc/23/67/08/290236708.db2.gz GRUPFEBMNKWSFK-LBPRGKRZSA-N 2 2 263.360 2.736 20 30 CFEDLP N#CCCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534129812 328035207 /nfs/dbraw/zinc/03/52/07/328035207.db2.gz UAWSTOBXJXNINS-UHFFFAOYSA-N 2 2 258.369 2.652 20 30 CFEDLP CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCCC1 ZINC000185756006 329330889 /nfs/dbraw/zinc/33/08/89/329330889.db2.gz DSCJINPBNCQLCO-LSDHHAIUSA-N 2 2 263.429 2.923 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422857013 330157920 /nfs/dbraw/zinc/15/79/20/330157920.db2.gz GJMCUBTUVGYETO-RCCFBDPRSA-N 3 2 291.483 2.537 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422861259 330158139 /nfs/dbraw/zinc/15/81/39/330158139.db2.gz NUAMIHKBQXCYLA-RDJZCZTQSA-N 3 2 279.472 2.537 20 30 CFEDLP C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422997349 330163407 /nfs/dbraw/zinc/16/34/07/330163407.db2.gz NQLGJMDOTROCDK-NUEKZKHPSA-N 2 2 257.381 2.762 20 30 CFEDLP C=CC[C@H](C)[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423232066 330180564 /nfs/dbraw/zinc/18/05/64/330180564.db2.gz MGTMVSOECZESQB-UONOGXRCSA-N 2 2 274.412 2.504 20 30 CFEDLP CC1(C#N)CCC([NH2+]C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423239948 330181325 /nfs/dbraw/zinc/18/13/25/330181325.db2.gz BWQSHSSIJPPXMP-HWOWSKLDSA-N 2 2 257.381 2.748 20 30 CFEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000423280221 330185495 /nfs/dbraw/zinc/18/54/95/330185495.db2.gz SMOPKYPXEZRDES-GOEBONIOSA-N 2 2 263.429 2.971 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000442714890 330780429 /nfs/dbraw/zinc/78/04/29/330780429.db2.gz MATJEJOZSTYPFD-PBHICJAKSA-N 2 2 280.375 2.713 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000442790473 330783893 /nfs/dbraw/zinc/78/38/93/330783893.db2.gz GSQPIEIDRAZQHZ-KBPBESRZSA-N 2 2 258.369 2.556 20 30 CFEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442876645 330789697 /nfs/dbraw/zinc/78/96/97/330789697.db2.gz VMFALHMTQHHMRS-CVEARBPZSA-N 2 2 298.434 2.851 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488438720 332008420 /nfs/dbraw/zinc/00/84/20/332008420.db2.gz MXRINOJOKLKQJZ-CABCVRRESA-N 2 2 268.470 2.757 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000491309218 332187530 /nfs/dbraw/zinc/18/75/30/332187530.db2.gz XVIYTFDGJXUSKW-CYBMUJFWSA-N 2 2 276.346 2.651 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(F)cc1 ZINC000491700004 332294908 /nfs/dbraw/zinc/29/49/08/332294908.db2.gz NVQYCEHBILBMBT-SFHVURJKSA-N 2 2 286.394 2.964 20 30 CFEDLP C#CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000491743858 332322092 /nfs/dbraw/zinc/32/20/92/332322092.db2.gz YHGRTCMQIHVWKW-UHFFFAOYSA-N 2 2 257.362 2.531 20 30 CFEDLP C#CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000491743858 332322093 /nfs/dbraw/zinc/32/20/93/332322093.db2.gz YHGRTCMQIHVWKW-UHFFFAOYSA-N 2 2 257.362 2.531 20 30 CFEDLP C=CC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000135749823 334138015 /nfs/dbraw/zinc/13/80/15/334138015.db2.gz QEPOIEJWSHDHRR-WBVHZDCISA-N 2 2 258.409 2.858 20 30 CFEDLP C=CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000135749823 334138016 /nfs/dbraw/zinc/13/80/16/334138016.db2.gz QEPOIEJWSHDHRR-WBVHZDCISA-N 2 2 258.409 2.858 20 30 CFEDLP C=CC(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000385004081 336135744 /nfs/dbraw/zinc/13/57/44/336135744.db2.gz WERFBOLZZSDOLE-UHFFFAOYSA-N 2 2 259.397 2.852 20 30 CFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336379621 523860290 /nfs/dbraw/zinc/86/02/90/523860290.db2.gz NUOWYPKNWQUAHJ-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336379621 523860292 /nfs/dbraw/zinc/86/02/92/523860292.db2.gz NUOWYPKNWQUAHJ-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336379621 523860298 /nfs/dbraw/zinc/86/02/98/523860298.db2.gz NUOWYPKNWQUAHJ-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336379621 523860308 /nfs/dbraw/zinc/86/03/08/523860308.db2.gz NUOWYPKNWQUAHJ-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000192119306 524295191 /nfs/dbraw/zinc/29/51/91/524295191.db2.gz YDZKTOAMDDDMQG-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000192119306 524295196 /nfs/dbraw/zinc/29/51/96/524295196.db2.gz YDZKTOAMDDDMQG-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000159021585 524509593 /nfs/dbraw/zinc/50/95/93/524509593.db2.gz SEARHSNNXTWJJL-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000159021585 524509598 /nfs/dbraw/zinc/50/95/98/524509598.db2.gz SEARHSNNXTWJJL-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(C)c2Cl)CC1 ZINC000106245654 526603064 /nfs/dbraw/zinc/60/30/64/526603064.db2.gz SXCHUZHQRIJQLB-UHFFFAOYSA-N 2 2 296.846 2.512 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000353875434 526890621 /nfs/dbraw/zinc/89/06/21/526890621.db2.gz YWOPHQFIUCQMJM-KSSFIOAISA-N 2 2 286.419 2.824 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000353875434 526890623 /nfs/dbraw/zinc/89/06/23/526890623.db2.gz YWOPHQFIUCQMJM-KSSFIOAISA-N 2 2 286.419 2.824 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000347081273 526900130 /nfs/dbraw/zinc/90/01/30/526900130.db2.gz XRYFICAFHZVXJX-YOEHRIQHSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000347081273 526900135 /nfs/dbraw/zinc/90/01/35/526900135.db2.gz XRYFICAFHZVXJX-YOEHRIQHSA-N 2 2 274.408 2.811 20 30 CFEDLP CCCCCCCC[N@@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000740878142 574272239 /nfs/dbraw/zinc/27/22/39/574272239.db2.gz XDUMSTXXIYVDKE-HNNXBMFYSA-N 2 2 256.434 2.609 20 30 CFEDLP CCCCCCCC[N@H+]1CCO[C@@H](C[NH+](C)C)C1 ZINC000740878142 574272242 /nfs/dbraw/zinc/27/22/42/574272242.db2.gz XDUMSTXXIYVDKE-HNNXBMFYSA-N 2 2 256.434 2.609 20 30 CFEDLP COc1cccc(O)c1/C=[NH+]\C1CCC(C[NH+](C)C)CC1 ZINC000749582894 574300618 /nfs/dbraw/zinc/30/06/18/574300618.db2.gz QZSIPAIZVJDYBE-WQRHYEAKSA-N 2 2 290.407 2.940 20 30 CFEDLP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248170992 618169010 /nfs/dbraw/zinc/16/90/10/618169010.db2.gz USWVRICSYDFYDP-ZWKOTPCHSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248170992 618169013 /nfs/dbraw/zinc/16/90/13/618169013.db2.gz USWVRICSYDFYDP-ZWKOTPCHSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248170992 618169015 /nfs/dbraw/zinc/16/90/15/618169015.db2.gz USWVRICSYDFYDP-ZWKOTPCHSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248170992 618169019 /nfs/dbraw/zinc/16/90/19/618169019.db2.gz USWVRICSYDFYDP-ZWKOTPCHSA-N 2 2 268.404 2.606 20 30 CFEDLP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000924568816 618613097 /nfs/dbraw/zinc/61/30/97/618613097.db2.gz DAYKFELWMCZZLF-MRXNPFEDSA-N 2 2 287.407 2.789 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000892880858 618762503 /nfs/dbraw/zinc/76/25/03/618762503.db2.gz MJTAYWMLAGWMMG-UHFFFAOYSA-N 2 2 290.455 2.821 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ccn2)CC1 ZINC000924985057 619317029 /nfs/dbraw/zinc/31/70/29/619317029.db2.gz FZUQBRPDVDVWCT-CQSZACIVSA-N 2 2 289.423 2.781 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C#N)c1O ZINC000925142565 619959395 /nfs/dbraw/zinc/95/93/95/619959395.db2.gz OLLHKUFIBYFDFD-XPKDYRNWSA-N 2 2 287.407 2.787 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C#N)c1O ZINC000925142565 619959397 /nfs/dbraw/zinc/95/93/97/619959397.db2.gz OLLHKUFIBYFDFD-XPKDYRNWSA-N 2 2 287.407 2.787 20 30 CFEDLP CC1(C)CC[N@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000898034436 620327144 /nfs/dbraw/zinc/32/71/44/620327144.db2.gz PBVNERUZYFPJAI-UHFFFAOYSA-N 2 2 263.429 2.780 20 30 CFEDLP CC1(C)CC[N@@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000898034436 620327148 /nfs/dbraw/zinc/32/71/48/620327148.db2.gz PBVNERUZYFPJAI-UHFFFAOYSA-N 2 2 263.429 2.780 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000924644903 620431584 /nfs/dbraw/zinc/43/15/84/620431584.db2.gz BRBWSNUDQFPKQN-ZDUSSCGKSA-N 2 2 274.412 2.680 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058457 621236616 /nfs/dbraw/zinc/23/66/16/621236616.db2.gz HHHNZBUOGHSZAQ-RHSMWYFYSA-N 2 2 298.434 2.726 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058457 621236619 /nfs/dbraw/zinc/23/66/19/621236619.db2.gz HHHNZBUOGHSZAQ-RHSMWYFYSA-N 2 2 298.434 2.726 20 30 CFEDLP C=CCC[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)[C@@H]1CCCO1 ZINC000903197457 621282321 /nfs/dbraw/zinc/28/23/21/621282321.db2.gz OWPKYCAPIBHWIK-IRXDYDNUSA-N 2 2 289.423 2.751 20 30 CFEDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903454925 621388240 /nfs/dbraw/zinc/38/82/40/621388240.db2.gz OAKORVGMTYRCJS-HFAKWTLXSA-N 2 2 277.799 2.688 20 30 CFEDLP C=CC[N@@H+](CCc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903885881 621464607 /nfs/dbraw/zinc/46/46/07/621464607.db2.gz LNOUHPJBCXIBBR-AWEZNQCLSA-N 2 2 268.351 2.700 20 30 CFEDLP C=CC[N@H+](CCc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC000903885881 621464610 /nfs/dbraw/zinc/46/46/10/621464610.db2.gz LNOUHPJBCXIBBR-AWEZNQCLSA-N 2 2 268.351 2.700 20 30 CFEDLP CCCC[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000906534378 621999764 /nfs/dbraw/zinc/99/97/64/621999764.db2.gz PBWZSPXCKSYEMM-UHFFFAOYSA-N 2 2 271.408 2.912 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000922140196 626216351 /nfs/dbraw/zinc/21/63/51/626216351.db2.gz STBMVWRRQQGQAS-CQSZACIVSA-N 2 2 280.375 2.545 20 30 CFEDLP C#C[C@@](C)(CC)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000852103358 634657407 /nfs/dbraw/zinc/65/74/07/634657407.db2.gz FNDLQTZAGNCBQZ-IBGZPJMESA-N 2 2 299.462 2.590 20 30 CFEDLP COc1ccccc1CO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000799119068 630278700 /nfs/dbraw/zinc/27/87/00/630278700.db2.gz GXSREKRKMZPYLE-UHFFFAOYSA-N 2 2 285.347 2.707 20 30 CFEDLP C#CCC[N@@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000852749075 634823509 /nfs/dbraw/zinc/82/35/09/634823509.db2.gz OLPUBPRJLGZJDA-UHFFFAOYSA-N 2 2 297.402 2.652 20 30 CFEDLP C#CCC[N@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000852749075 634823514 /nfs/dbraw/zinc/82/35/14/634823514.db2.gz OLPUBPRJLGZJDA-UHFFFAOYSA-N 2 2 297.402 2.652 20 30 CFEDLP CSC1(C/[NH+]=C/c2ccccc2O)CC[NH+](C)CC1 ZINC000811625960 631588728 /nfs/dbraw/zinc/58/87/28/631588728.db2.gz ZMHSFISWAJJVAZ-LFIBNONCSA-N 2 2 278.421 2.639 20 30 CFEDLP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1C#N ZINC000817915244 632731683 /nfs/dbraw/zinc/73/16/83/632731683.db2.gz JSIGNQREZBVZRO-IAGOWNOFSA-N 2 2 293.370 2.801 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000817916640 632733678 /nfs/dbraw/zinc/73/36/78/632733678.db2.gz ADNNZBOLLYZADD-LXZKKBNFSA-N 2 2 287.407 2.598 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(OCC#N)cc1 ZINC000817955300 632754796 /nfs/dbraw/zinc/75/47/96/632754796.db2.gz VIXUVOXMPQWUIM-RDTXWAMCSA-N 2 2 295.386 2.940 20 30 CFEDLP CCOc1ccc(/C=[NH+]/C[C@H]2C[C@@H]([NH+](C)C)C2)c(O)c1 ZINC000846756192 632787983 /nfs/dbraw/zinc/78/79/83/632787983.db2.gz HFTBWZDEHUOWQE-MXWHECSWSA-N 2 2 276.380 2.550 20 30 CFEDLP C#CCCCOc1ccc[nH+]c1N[C@H](C)CC[NH+](C)C ZINC000853237889 634947874 /nfs/dbraw/zinc/94/78/74/634947874.db2.gz ZNVOZYWKWFMQGZ-CQSZACIVSA-N 2 2 275.396 2.626 20 30 CFEDLP C#CCCCOc1ccc[nH+]c1NCC[C@@H](C)[NH+](C)C ZINC000853800045 635110718 /nfs/dbraw/zinc/11/07/18/635110718.db2.gz YEPRWZQIULQWGA-CQSZACIVSA-N 2 2 275.396 2.626 20 30 CFEDLP C#CCCCOc1ccc[nH+]c1NCC[C@H](C)[NH+](C)C ZINC000853800044 635110930 /nfs/dbraw/zinc/11/09/30/635110930.db2.gz YEPRWZQIULQWGA-AWEZNQCLSA-N 2 2 275.396 2.626 20 30 CFEDLP Cc1c[nH+]ccc1N[NH+]=C1CCCNc2ccccc21 ZINC000863157694 637571687 /nfs/dbraw/zinc/57/16/87/637571687.db2.gz GDBAHUBTRRPBST-UHFFFAOYSA-N 2 2 266.348 2.834 20 30 CFEDLP Cc1cc(N[NH+]=C2CCCc3cc(N)ccc32)cc[nH+]1 ZINC000863159582 637573896 /nfs/dbraw/zinc/57/38/96/637573896.db2.gz XBOJHQBHBVCGCT-UHFFFAOYSA-N 2 2 266.348 2.547 20 30 CFEDLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1O ZINC000866239176 638777350 /nfs/dbraw/zinc/77/73/50/638777350.db2.gz RJTHMAXNYLKKMX-ZDUSSCGKSA-N 2 2 299.418 2.789 20 30 CFEDLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866240767 638777735 /nfs/dbraw/zinc/77/77/35/638777735.db2.gz MXOWORAYVASSGI-KBPBESRZSA-N 2 2 287.407 2.646 20 30 CFEDLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866240767 638777736 /nfs/dbraw/zinc/77/77/36/638777736.db2.gz MXOWORAYVASSGI-KBPBESRZSA-N 2 2 287.407 2.646 20 30 CFEDLP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866272249 638786011 /nfs/dbraw/zinc/78/60/11/638786011.db2.gz LTVPVUHEHAJGPH-ZDUSSCGKSA-N 2 2 298.390 2.900 20 30 CFEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1O ZINC000866367595 638805975 /nfs/dbraw/zinc/80/59/75/638805975.db2.gz LJRAISPGQUSJLN-JZIBPQBNSA-N 2 2 285.391 2.540 20 30 CFEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1O ZINC000866367595 638805976 /nfs/dbraw/zinc/80/59/76/638805976.db2.gz LJRAISPGQUSJLN-JZIBPQBNSA-N 2 2 285.391 2.540 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866400348 638815140 /nfs/dbraw/zinc/81/51/40/638815140.db2.gz YXRXGUINCIZJRA-ZIAGYGMSSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866400348 638815143 /nfs/dbraw/zinc/81/51/43/638815143.db2.gz YXRXGUINCIZJRA-ZIAGYGMSSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866400346 638815405 /nfs/dbraw/zinc/81/54/05/638815405.db2.gz YXRXGUINCIZJRA-KGLIPLIRSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866400346 638815408 /nfs/dbraw/zinc/81/54/08/638815408.db2.gz YXRXGUINCIZJRA-KGLIPLIRSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1cccc(C#N)c1 ZINC000873236860 642088740 /nfs/dbraw/zinc/08/87/40/642088740.db2.gz JSOBYMFPXIGOSE-BBRMVZONSA-N 2 2 271.408 2.987 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259873 644617048 /nfs/dbraw/zinc/61/70/48/644617048.db2.gz KMCGHBZIXVGRLX-HNNXBMFYSA-N 2 2 292.386 2.664 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259873 644617052 /nfs/dbraw/zinc/61/70/52/644617052.db2.gz KMCGHBZIXVGRLX-HNNXBMFYSA-N 2 2 292.386 2.664 20 30 CFEDLP C=CCC[C@@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880572271 644770912 /nfs/dbraw/zinc/77/09/12/644770912.db2.gz ZMVAGNVJTSLYCK-SJORKVTESA-N 2 2 285.391 2.541 20 30 CFEDLP CCCCNC(=[NH2+])NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000303768698 651001083 /nfs/dbraw/zinc/00/10/83/651001083.db2.gz ANTBEZVIINGYFH-MRXNPFEDSA-N 2 2 290.455 2.556 20 30 CFEDLP C=CCC[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000883176018 645641795 /nfs/dbraw/zinc/64/17/95/645641795.db2.gz UAYBZBPPVFRUTM-HOTGVXAUSA-N 2 2 277.412 2.767 20 30 CFEDLP C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000883389722 645787367 /nfs/dbraw/zinc/78/73/67/645787367.db2.gz WZSZDHSDLIXZNS-GOEBONIOSA-N 2 2 285.391 2.850 20 30 CFEDLP CCCCCCCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000134155215 646291310 /nfs/dbraw/zinc/29/13/10/646291310.db2.gz GWXUVEGZFGOASJ-LSDHHAIUSA-N 2 2 256.434 2.704 20 30 CFEDLP C=C(Br)C[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000924959082 648080188 /nfs/dbraw/zinc/08/01/88/648080188.db2.gz JTOOBTGRFSFANQ-UHFFFAOYSA-N 2 2 289.261 2.995 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926673930 648570661 /nfs/dbraw/zinc/57/06/61/648570661.db2.gz MGXOOFZBAOESDE-ILXRZTDVSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926673930 648570665 /nfs/dbraw/zinc/57/06/65/648570665.db2.gz MGXOOFZBAOESDE-ILXRZTDVSA-N 2 2 263.429 2.921 20 30 CFEDLP CC(C)CC[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000926875248 648642473 /nfs/dbraw/zinc/64/24/73/648642473.db2.gz WXKPBMSDGLGQKS-UHFFFAOYSA-N 2 2 251.418 2.636 20 30 CFEDLP Cn1c[nH+]cc1CC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607265 649705786 /nfs/dbraw/zinc/70/57/86/649705786.db2.gz ONZQNYLQAXJOLV-UHFFFAOYSA-N 2 2 294.402 2.714 20 30 CFEDLP N#Cc1ccnc(-c2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)c1 ZINC001236245793 778752116 /nfs/dbraw/zinc/75/21/16/778752116.db2.gz RAOPTWBIUQBJPC-QGZVFWFLSA-N 2 2 292.386 2.543 20 30 CFEDLP N#Cc1ccnc(-c2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)c1 ZINC001236245793 778752120 /nfs/dbraw/zinc/75/21/20/778752120.db2.gz RAOPTWBIUQBJPC-QGZVFWFLSA-N 2 2 292.386 2.543 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000328030759 775695597 /nfs/dbraw/zinc/69/55/97/775695597.db2.gz VGNBUKLXLJOZCA-OAHLLOKOSA-N 2 2 274.408 2.609 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000328030759 775695602 /nfs/dbraw/zinc/69/56/02/775695602.db2.gz VGNBUKLXLJOZCA-OAHLLOKOSA-N 2 2 274.408 2.609 20 30 CFEDLP CCCCCCCCCCC[N@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001204957514 777037896 /nfs/dbraw/zinc/03/78/96/777037896.db2.gz RSIZZERNQMRTLB-JKSUJKDBSA-N 2 2 270.461 2.911 20 30 CFEDLP CCCCCCCCCCC[N@@H+]1C[C@H](O)C[C@H]([NH3+])C1 ZINC001204957514 777037899 /nfs/dbraw/zinc/03/78/99/777037899.db2.gz RSIZZERNQMRTLB-JKSUJKDBSA-N 2 2 270.461 2.911 20 30 CFEDLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1OC ZINC001231622310 777281884 /nfs/dbraw/zinc/28/18/84/777281884.db2.gz UFMZYJNDJQMAAH-UHFFFAOYSA-N 2 2 289.423 2.731 20 30 CFEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1OC ZINC001231622310 777281886 /nfs/dbraw/zinc/28/18/86/777281886.db2.gz UFMZYJNDJQMAAH-UHFFFAOYSA-N 2 2 289.423 2.731 20 30 CFEDLP CC[C@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971243 777435470 /nfs/dbraw/zinc/43/54/70/777435470.db2.gz UUHZNQUDCWAWIM-WZYMTQMTSA-N 2 2 261.413 2.674 20 30 CFEDLP CC[C@H](CC#N)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971243 777435472 /nfs/dbraw/zinc/43/54/72/777435472.db2.gz UUHZNQUDCWAWIM-WZYMTQMTSA-N 2 2 261.413 2.674 20 30 CFEDLP N#Cc1coc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167981801 777449559 /nfs/dbraw/zinc/44/95/59/777449559.db2.gz KPHRBINKBKYAFU-MQVJKMGUSA-N 2 2 285.391 2.646 20 30 CFEDLP N#Cc1coc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167981801 777449564 /nfs/dbraw/zinc/44/95/64/777449564.db2.gz KPHRBINKBKYAFU-MQVJKMGUSA-N 2 2 285.391 2.646 20 30 CFEDLP C#CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(OC)c2)CC1 ZINC001234076410 778158537 /nfs/dbraw/zinc/15/85/37/778158537.db2.gz WEYGIBWRKYPXGK-UHFFFAOYSA-N 2 2 295.386 2.726 20 30 CFEDLP C(#CC1CC[NH+](C[C@@H]2CCCC[NH2+]2)CC1)c1ccccc1 ZINC001236302644 778767587 /nfs/dbraw/zinc/76/75/87/778767587.db2.gz ABLGGECSEWOHIP-IBGZPJMESA-N 2 2 282.431 2.892 20 30 CFEDLP N#Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1 ZINC001236532961 778867553 /nfs/dbraw/zinc/86/75/53/778867553.db2.gz JWWJIOOLNCSJQL-INIZCTEOSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(F)c1 ZINC001236532961 778867560 /nfs/dbraw/zinc/86/75/60/778867560.db2.gz JWWJIOOLNCSJQL-INIZCTEOSA-N 2 2 295.361 2.897 20 30 CFEDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236894785 778976663 /nfs/dbraw/zinc/97/66/63/778976663.db2.gz DDOCDZZYHPGFDI-INIZCTEOSA-N 2 2 278.399 2.865 20 30 CFEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236894785 778976666 /nfs/dbraw/zinc/97/66/66/778976666.db2.gz DDOCDZZYHPGFDI-INIZCTEOSA-N 2 2 278.399 2.865 20 30 CFEDLP C#Cc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237156028 779029798 /nfs/dbraw/zinc/02/97/98/779029798.db2.gz MVDSGYBZEIKWBC-GOSISDBHSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237156028 779029804 /nfs/dbraw/zinc/02/98/04/779029804.db2.gz MVDSGYBZEIKWBC-GOSISDBHSA-N 2 2 268.404 2.774 20 30 CFEDLP N#Cc1ccc2c(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237401529 779096027 /nfs/dbraw/zinc/09/60/27/779096027.db2.gz DKMNCCHZYXYITC-PBHICJAKSA-N 2 2 294.402 2.613 20 30 CFEDLP N#Cc1ccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237401529 779096030 /nfs/dbraw/zinc/09/60/30/779096030.db2.gz DKMNCCHZYXYITC-PBHICJAKSA-N 2 2 294.402 2.613 20 30 CFEDLP N#Cc1ccc2c(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237401532 779096750 /nfs/dbraw/zinc/09/67/50/779096750.db2.gz DKMNCCHZYXYITC-RHSMWYFYSA-N 2 2 294.402 2.613 20 30 CFEDLP N#Cc1ccc2c(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)c[nH]c2c1 ZINC001237401532 779096754 /nfs/dbraw/zinc/09/67/54/779096754.db2.gz DKMNCCHZYXYITC-RHSMWYFYSA-N 2 2 294.402 2.613 20 30 CFEDLP N#Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccn1 ZINC001237469680 779115389 /nfs/dbraw/zinc/11/53/89/779115389.db2.gz DWCATLXJOURNFL-SFHVURJKSA-N 2 2 298.434 2.794 20 30 CFEDLP N#Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)ccn1 ZINC001237469680 779115394 /nfs/dbraw/zinc/11/53/94/779115394.db2.gz DWCATLXJOURNFL-SFHVURJKSA-N 2 2 298.434 2.794 20 30 CFEDLP N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205109085 779231973 /nfs/dbraw/zinc/23/19/73/779231973.db2.gz ANMQYZYLLNKZOI-ZDUSSCGKSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205109085 779231978 /nfs/dbraw/zinc/23/19/78/779231978.db2.gz ANMQYZYLLNKZOI-ZDUSSCGKSA-N 2 2 263.772 2.525 20 30 CFEDLP C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001116620299 780199556 /nfs/dbraw/zinc/19/95/56/780199556.db2.gz IBQCJUBCIGFISD-ZFWWWQNUSA-N 2 2 271.364 2.724 20 30 CFEDLP C#Cc1cccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241920028 781182776 /nfs/dbraw/zinc/18/27/76/781182776.db2.gz RLPZJENWPPSYAI-LJQANCHMSA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1cccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001241920028 781182779 /nfs/dbraw/zinc/18/27/79/781182779.db2.gz RLPZJENWPPSYAI-LJQANCHMSA-N 2 2 276.383 2.868 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000709975081 781324661 /nfs/dbraw/zinc/32/46/61/781324661.db2.gz HMIRLEUAVRSRLV-KGLIPLIRSA-N 2 2 251.418 2.779 20 30 CFEDLP C#Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001242295532 781375685 /nfs/dbraw/zinc/37/56/85/781375685.db2.gz OIZOLGBZPQWRGW-UHFFFAOYSA-N 2 2 273.339 2.669 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000594521293 349440903 /nfs/dbraw/zinc/44/09/03/349440903.db2.gz TYYCCIDUYKMTOV-FXUDXRNXSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000594521293 349440906 /nfs/dbraw/zinc/44/09/06/349440906.db2.gz TYYCCIDUYKMTOV-FXUDXRNXSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000594521304 349441184 /nfs/dbraw/zinc/44/11/84/349441184.db2.gz TYYCCIDUYKMTOV-QKPAOTATSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000594521304 349441188 /nfs/dbraw/zinc/44/11/88/349441188.db2.gz TYYCCIDUYKMTOV-QKPAOTATSA-N 2 2 261.413 2.675 20 30 CFEDLP N#CCC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000594961382 349531538 /nfs/dbraw/zinc/53/15/38/349531538.db2.gz YMDJUWUFTPINFS-INIZCTEOSA-N 2 2 280.375 2.964 20 30 CFEDLP C=CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594966802 349534092 /nfs/dbraw/zinc/53/40/92/349534092.db2.gz AQBZXQMAOVYNRL-UHFFFAOYSA-N 2 2 269.392 2.688 20 30 CFEDLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595888531 349761878 /nfs/dbraw/zinc/76/18/78/349761878.db2.gz OCCYVYQFUOZVTE-JQWIXIFHSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595888531 349761882 /nfs/dbraw/zinc/76/18/82/349761882.db2.gz OCCYVYQFUOZVTE-JQWIXIFHSA-N 2 2 297.324 2.746 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](C[NH3+])C1CC1 ZINC000595895545 349764516 /nfs/dbraw/zinc/76/45/16/349764516.db2.gz PAWAYIIDOBFJOW-CQSZACIVSA-N 2 2 297.324 2.746 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](C[NH3+])C1CC1 ZINC000595895545 349764521 /nfs/dbraw/zinc/76/45/21/349764521.db2.gz PAWAYIIDOBFJOW-CQSZACIVSA-N 2 2 297.324 2.746 20 30 CFEDLP N#CCC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000596064961 349785189 /nfs/dbraw/zinc/78/51/89/349785189.db2.gz LMVYTTYVXQSYNM-QGZVFWFLSA-N 2 2 283.419 2.792 20 30 CFEDLP N#CCC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000596064961 349785191 /nfs/dbraw/zinc/78/51/91/349785191.db2.gz LMVYTTYVXQSYNM-QGZVFWFLSA-N 2 2 283.419 2.792 20 30 CFEDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000045094568 346403418 /nfs/dbraw/zinc/40/34/18/346403418.db2.gz WZUXIKXMKAVIOQ-AWEZNQCLSA-N 2 2 268.364 2.886 20 30 CFEDLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000596654932 349969638 /nfs/dbraw/zinc/96/96/38/349969638.db2.gz NWYXAPJMSLZDTJ-WBMJQRKESA-N 2 2 257.381 2.523 20 30 CFEDLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(C#N)cc1F ZINC000596648597 349967887 /nfs/dbraw/zinc/96/78/87/349967887.db2.gz SFBYDPMNMCJNNC-LLVKDONJSA-N 2 2 261.344 2.619 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080974460 347391654 /nfs/dbraw/zinc/39/16/54/347391654.db2.gz BHPXPBZYUPGIST-HNNXBMFYSA-N 2 2 266.348 2.661 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080974460 347391659 /nfs/dbraw/zinc/39/16/59/347391659.db2.gz BHPXPBZYUPGIST-HNNXBMFYSA-N 2 2 266.348 2.661 20 30 CFEDLP C=CC[NH+]1CCC(Nc2cc[nH+]c3ccncc23)CC1 ZINC000085684791 347482544 /nfs/dbraw/zinc/48/25/44/347482544.db2.gz YVJHMDOSKUXVGD-UHFFFAOYSA-N 2 2 268.364 2.692 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250269835 348287053 /nfs/dbraw/zinc/28/70/53/348287053.db2.gz ZWJDLNDVPIQPKB-IAGOWNOFSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000250269835 348287057 /nfs/dbraw/zinc/28/70/57/348287057.db2.gz ZWJDLNDVPIQPKB-IAGOWNOFSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000589338838 348828577 /nfs/dbraw/zinc/82/85/77/348828577.db2.gz KNVTVHIHEMUKDD-AEFFLSMTSA-N 2 2 281.403 2.619 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000589338838 348828580 /nfs/dbraw/zinc/82/85/80/348828580.db2.gz KNVTVHIHEMUKDD-AEFFLSMTSA-N 2 2 281.403 2.619 20 30 CFEDLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570781 349029868 /nfs/dbraw/zinc/02/98/68/349029868.db2.gz NPAZKNXTWDBIPX-SCLBCKFNSA-N 2 2 297.377 2.745 20 30 CFEDLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000591577878 349030784 /nfs/dbraw/zinc/03/07/84/349030784.db2.gz LQOBTTNYISIMGI-CVEARBPZSA-N 2 2 257.381 2.741 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591578097 349031795 /nfs/dbraw/zinc/03/17/95/349031795.db2.gz YGSYCYOBNFDZBT-RDJZCZTQSA-N 2 2 269.392 2.667 20 30 CFEDLP N#CC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000593653381 349304641 /nfs/dbraw/zinc/30/46/41/349304641.db2.gz ISQIIZKTIFLFKQ-UHFFFAOYSA-N 2 2 284.407 2.724 20 30 CFEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496192 349430226 /nfs/dbraw/zinc/43/02/26/349430226.db2.gz JNIPAXZRKSZTAG-MRXNPFEDSA-N 2 2 271.408 2.672 20 30 CFEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496192 349430230 /nfs/dbraw/zinc/43/02/30/349430230.db2.gz JNIPAXZRKSZTAG-MRXNPFEDSA-N 2 2 271.408 2.672 20 30 CFEDLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496788 349431428 /nfs/dbraw/zinc/43/14/28/349431428.db2.gz VOSFIDJPAFFCDT-MRXNPFEDSA-N 2 2 271.408 2.672 20 30 CFEDLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496788 349431431 /nfs/dbraw/zinc/43/14/31/349431431.db2.gz VOSFIDJPAFFCDT-MRXNPFEDSA-N 2 2 271.408 2.672 20 30 CFEDLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)CC1(C)C ZINC000598962745 350349558 /nfs/dbraw/zinc/34/95/58/350349558.db2.gz JKBXFIFILSDGKB-AWEZNQCLSA-N 2 2 275.371 2.660 20 30 CFEDLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)CC1(C)C ZINC000598962745 350349561 /nfs/dbraw/zinc/34/95/61/350349561.db2.gz JKBXFIFILSDGKB-AWEZNQCLSA-N 2 2 275.371 2.660 20 30 CFEDLP Cc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1C#N ZINC000600699760 350597568 /nfs/dbraw/zinc/59/75/68/350597568.db2.gz CYGJFYPGVCQSSV-UHFFFAOYSA-N 2 2 283.419 2.831 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCCCC[C@@H]([NH3+])C2)cc1C#N ZINC000601327591 350724451 /nfs/dbraw/zinc/72/44/51/350724451.db2.gz XBZVHWJUVXBELH-MRXNPFEDSA-N 2 2 257.381 2.570 20 30 CFEDLP Cc1ccc(C[N@H+]2CCCCC[C@@H]([NH3+])C2)cc1C#N ZINC000601327591 350724452 /nfs/dbraw/zinc/72/44/52/350724452.db2.gz XBZVHWJUVXBELH-MRXNPFEDSA-N 2 2 257.381 2.570 20 30 CFEDLP CCC[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000601994719 350825393 /nfs/dbraw/zinc/82/53/93/350825393.db2.gz BFGIMNHJBSYBKZ-UHFFFAOYSA-N 2 2 275.371 2.661 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000602510042 350909751 /nfs/dbraw/zinc/90/97/51/350909751.db2.gz IOHYCQWZDRVOSP-OAHLLOKOSA-N 2 2 295.496 2.877 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000602516410 350912116 /nfs/dbraw/zinc/91/21/16/350912116.db2.gz LBDHUPWSDCUPES-OAHLLOKOSA-N 2 2 286.423 2.575 20 30 CFEDLP C[C@H](CCC#N)C[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000602517927 350912474 /nfs/dbraw/zinc/91/24/74/350912474.db2.gz HBMSHGFLOOBGOI-WBVHZDCISA-N 2 2 273.424 2.689 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000602705503 350990293 /nfs/dbraw/zinc/99/02/93/350990293.db2.gz HDDDQKFPGQDHHP-CABCVRRESA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000602705503 350990295 /nfs/dbraw/zinc/99/02/95/350990295.db2.gz HDDDQKFPGQDHHP-CABCVRRESA-N 2 2 293.455 2.548 20 30 CFEDLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602723724 351001532 /nfs/dbraw/zinc/00/15/32/351001532.db2.gz IJTMXNZNLYMOJK-MRXNPFEDSA-N 2 2 293.455 2.503 20 30 CFEDLP N#CC1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000602726899 351002041 /nfs/dbraw/zinc/00/20/41/351002041.db2.gz RFRMPXHFUPLJCH-ZBCRRDGASA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000602726899 351002043 /nfs/dbraw/zinc/00/20/43/351002043.db2.gz RFRMPXHFUPLJCH-ZBCRRDGASA-N 2 2 261.413 2.675 20 30 CFEDLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cccc(F)c2C#N)CC1 ZINC000602627555 350951560 /nfs/dbraw/zinc/95/15/60/350951560.db2.gz VGEQJUJFPNPFJT-UHFFFAOYSA-N 2 2 287.382 2.758 20 30 CFEDLP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(F)c2C#N)CC1 ZINC000602627555 350951563 /nfs/dbraw/zinc/95/15/63/350951563.db2.gz VGEQJUJFPNPFJT-UHFFFAOYSA-N 2 2 287.382 2.758 20 30 CFEDLP N#CCC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000602796090 351027957 /nfs/dbraw/zinc/02/79/57/351027957.db2.gz JWJCRQISFXZZQN-ZBFHGGJFSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000602796090 351027961 /nfs/dbraw/zinc/02/79/61/351027961.db2.gz JWJCRQISFXZZQN-ZBFHGGJFSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000602796090 351027966 /nfs/dbraw/zinc/02/79/66/351027966.db2.gz JWJCRQISFXZZQN-ZBFHGGJFSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000602796090 351027972 /nfs/dbraw/zinc/02/79/72/351027972.db2.gz JWJCRQISFXZZQN-ZBFHGGJFSA-N 2 2 273.424 2.629 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602819219 351036873 /nfs/dbraw/zinc/03/68/73/351036873.db2.gz QPISEDIGFRPBNZ-UHFFFAOYSA-N 2 2 285.391 2.927 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612160067 351781879 /nfs/dbraw/zinc/78/18/79/351781879.db2.gz FWQONRSROILMFB-OAHLLOKOSA-N 2 2 260.385 2.597 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612160067 351781882 /nfs/dbraw/zinc/78/18/82/351781882.db2.gz FWQONRSROILMFB-OAHLLOKOSA-N 2 2 260.385 2.597 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000614403663 352090415 /nfs/dbraw/zinc/09/04/15/352090415.db2.gz OXFVEFJFPJJXOO-MRXNPFEDSA-N 2 2 280.375 2.969 20 30 CFEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000619621277 353041110 /nfs/dbraw/zinc/04/11/10/353041110.db2.gz JCXCELTXWUHMRV-INIZCTEOSA-N 2 2 293.455 2.549 20 30 CFEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000619621277 353041112 /nfs/dbraw/zinc/04/11/12/353041112.db2.gz JCXCELTXWUHMRV-INIZCTEOSA-N 2 2 293.455 2.549 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(CC)c2)CC1 ZINC000153005330 188058931 /nfs/dbraw/zinc/05/89/31/188058931.db2.gz QQFRBUOOBPLFAI-CQSZACIVSA-N 2 2 276.428 2.594 20 30 CFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000154262205 188132718 /nfs/dbraw/zinc/13/27/18/188132718.db2.gz WEVUFIHJSLOVHO-KRWDZBQOSA-N 2 2 288.410 2.841 20 30 CFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000154262205 188132720 /nfs/dbraw/zinc/13/27/20/188132720.db2.gz WEVUFIHJSLOVHO-KRWDZBQOSA-N 2 2 288.410 2.841 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154262205 188132721 /nfs/dbraw/zinc/13/27/21/188132721.db2.gz WEVUFIHJSLOVHO-KRWDZBQOSA-N 2 2 288.410 2.841 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154262205 188132723 /nfs/dbraw/zinc/13/27/23/188132723.db2.gz WEVUFIHJSLOVHO-KRWDZBQOSA-N 2 2 288.410 2.841 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623889474 353750835 /nfs/dbraw/zinc/75/08/35/353750835.db2.gz NXAROXOATJUMKD-ZDUSSCGKSA-N 2 2 277.437 2.761 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(OC)ccc32)CC1 ZINC000631581852 355500776 /nfs/dbraw/zinc/50/07/76/355500776.db2.gz PZICZPNYGQSZNY-GOSISDBHSA-N 2 2 286.419 2.923 20 30 CFEDLP C#CCSCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000176798025 189009584 /nfs/dbraw/zinc/00/95/84/189009584.db2.gz YVBCJHXGMBTJPX-UHFFFAOYSA-N 2 2 285.416 2.637 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000177911303 189079271 /nfs/dbraw/zinc/07/92/71/189079271.db2.gz VLEYNRSBHLVSQX-LBPRGKRZSA-N 2 2 263.360 2.522 20 30 CFEDLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000179240915 189179918 /nfs/dbraw/zinc/17/99/18/189179918.db2.gz OKUQYDVEBBNEEE-CQSZACIVSA-N 2 2 268.364 2.838 20 30 CFEDLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000179240915 189179919 /nfs/dbraw/zinc/17/99/19/189179919.db2.gz OKUQYDVEBBNEEE-CQSZACIVSA-N 2 2 268.364 2.838 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000423528160 238514333 /nfs/dbraw/zinc/51/43/33/238514333.db2.gz NEOJGUWQPLGZDC-ZOCIIQOWSA-N 2 2 291.398 2.964 20 30 CFEDLP Cc1cc(NCCCC[NH+]2CCC(C)CC2)c(C#N)c[nH+]1 ZINC000425203681 238955978 /nfs/dbraw/zinc/95/59/78/238955978.db2.gz FZRPTDWKJABDHH-UHFFFAOYSA-N 2 2 286.423 2.608 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1C#N ZINC000443998556 241105745 /nfs/dbraw/zinc/10/57/45/241105745.db2.gz VFLLBMHWSIUEMF-XJKSGUPXSA-N 2 2 269.392 2.582 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1C#N ZINC000443998556 241105750 /nfs/dbraw/zinc/10/57/50/241105750.db2.gz VFLLBMHWSIUEMF-XJKSGUPXSA-N 2 2 269.392 2.582 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000034990126 372525613 /nfs/dbraw/zinc/52/56/13/372525613.db2.gz ZBAAMQATGHYHNY-UHFFFAOYSA-N 2 2 271.364 2.628 20 30 CFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000081572880 374705959 /nfs/dbraw/zinc/70/59/59/374705959.db2.gz BFLJDJAQJNYAPH-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000081572880 374705962 /nfs/dbraw/zinc/70/59/62/374705962.db2.gz BFLJDJAQJNYAPH-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000081572880 374705968 /nfs/dbraw/zinc/70/59/68/374705968.db2.gz BFLJDJAQJNYAPH-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000081572880 374705975 /nfs/dbraw/zinc/70/59/75/374705975.db2.gz BFLJDJAQJNYAPH-HNNXBMFYSA-N 2 2 289.398 2.861 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678424217 542024388 /nfs/dbraw/zinc/02/43/88/542024388.db2.gz ZJOCJHNSDJQVMJ-OAHLLOKOSA-N 2 2 273.424 2.999 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000130496975 377567781 /nfs/dbraw/zinc/56/77/81/377567781.db2.gz IQFGYVNWXABCQM-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000130496975 377567794 /nfs/dbraw/zinc/56/77/94/377567794.db2.gz IQFGYVNWXABCQM-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000130496975 377567801 /nfs/dbraw/zinc/56/78/01/377567801.db2.gz IQFGYVNWXABCQM-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000130496975 377567811 /nfs/dbraw/zinc/56/78/11/377567811.db2.gz IQFGYVNWXABCQM-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP C=C(C)COCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000134502221 378023805 /nfs/dbraw/zinc/02/38/05/378023805.db2.gz URCHOIOICRUOCQ-WMZOPIPTSA-N 2 2 288.435 2.689 20 30 CFEDLP C=C(C)COCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000134502221 378023812 /nfs/dbraw/zinc/02/38/12/378023812.db2.gz URCHOIOICRUOCQ-WMZOPIPTSA-N 2 2 288.435 2.689 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000150775372 378271927 /nfs/dbraw/zinc/27/19/27/378271927.db2.gz COYJNMFWTKOJOU-HNNXBMFYSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000150775372 378271932 /nfs/dbraw/zinc/27/19/32/378271932.db2.gz COYJNMFWTKOJOU-HNNXBMFYSA-N 2 2 287.382 2.615 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151114047 378296482 /nfs/dbraw/zinc/29/64/82/378296482.db2.gz PGPOBXHRAXUGIZ-DOTOQJQBSA-N 2 2 298.430 2.804 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151114047 378296485 /nfs/dbraw/zinc/29/64/85/378296485.db2.gz PGPOBXHRAXUGIZ-DOTOQJQBSA-N 2 2 298.430 2.804 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000151217457 378308074 /nfs/dbraw/zinc/30/80/74/378308074.db2.gz VYHFTZNUQLJUGE-QGZVFWFLSA-N 2 2 286.394 2.595 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000151217457 378308076 /nfs/dbraw/zinc/30/80/76/378308076.db2.gz VYHFTZNUQLJUGE-QGZVFWFLSA-N 2 2 286.394 2.595 20 30 CFEDLP COc1ccc(C#N)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000332474946 378768438 /nfs/dbraw/zinc/76/84/38/378768438.db2.gz WIULHRRJLXBXQH-UHFFFAOYSA-N 2 2 296.374 2.670 20 30 CFEDLP C=CCC[C@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278748856 194136905 /nfs/dbraw/zinc/13/69/05/194136905.db2.gz WYMCFFRNAHWMPY-HNNXBMFYSA-N 2 2 290.407 2.560 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000336121061 380270614 /nfs/dbraw/zinc/27/06/14/380270614.db2.gz UMWUSYARRSUENE-GOEBONIOSA-N 2 2 261.413 2.629 20 30 CFEDLP C[N@H+](CCCOc1cccc(C#N)c1)CCCn1cc[nH+]c1 ZINC000181093647 380738745 /nfs/dbraw/zinc/73/87/45/380738745.db2.gz OWCPYBLHPGYRQT-UHFFFAOYSA-N 2 2 298.390 2.546 20 30 CFEDLP C[N@@H+](CCCOc1cccc(C#N)c1)CCCn1cc[nH+]c1 ZINC000181093647 380738747 /nfs/dbraw/zinc/73/87/47/380738747.db2.gz OWCPYBLHPGYRQT-UHFFFAOYSA-N 2 2 298.390 2.546 20 30 CFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000181415063 380790115 /nfs/dbraw/zinc/79/01/15/380790115.db2.gz ZYURPDRUKAMSIB-AWEZNQCLSA-N 2 2 283.419 2.911 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358570720 380937526 /nfs/dbraw/zinc/93/75/26/380937526.db2.gz NZZCSZOUPQSROR-TZMCWYRMSA-N 2 2 287.382 2.832 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358570720 380937539 /nfs/dbraw/zinc/93/75/39/380937539.db2.gz NZZCSZOUPQSROR-TZMCWYRMSA-N 2 2 287.382 2.832 20 30 CFEDLP Cc1[nH+]ccn1CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347974553 381439753 /nfs/dbraw/zinc/43/97/53/381439753.db2.gz QDQGPDXEKWDXCC-UHFFFAOYSA-N 2 2 292.386 2.853 20 30 CFEDLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347974553 381439757 /nfs/dbraw/zinc/43/97/57/381439757.db2.gz QDQGPDXEKWDXCC-UHFFFAOYSA-N 2 2 292.386 2.853 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185383676 381619145 /nfs/dbraw/zinc/61/91/45/381619145.db2.gz ORQYLSZSEZWCFX-GFCCVEGCSA-N 2 2 278.371 2.832 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352106475 382175008 /nfs/dbraw/zinc/17/50/08/382175008.db2.gz WOSLSLBBYWHWSD-DLBZAZTESA-N 2 2 274.408 2.614 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352106475 382175011 /nfs/dbraw/zinc/17/50/11/382175011.db2.gz WOSLSLBBYWHWSD-DLBZAZTESA-N 2 2 274.408 2.614 20 30 CFEDLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000364300905 382301912 /nfs/dbraw/zinc/30/19/12/382301912.db2.gz MQMRMUVGXSCNNU-YJBOKZPZSA-N 2 2 295.386 2.934 20 30 CFEDLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000364300905 382301914 /nfs/dbraw/zinc/30/19/14/382301914.db2.gz MQMRMUVGXSCNNU-YJBOKZPZSA-N 2 2 295.386 2.934 20 30 CFEDLP N#CC1(F)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000352466369 382347455 /nfs/dbraw/zinc/34/74/55/382347455.db2.gz CFKBQYMCNKZFIX-UHFFFAOYSA-N 2 2 284.338 2.700 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000358146542 382469572 /nfs/dbraw/zinc/46/95/72/382469572.db2.gz DFJUOJWWCUOTKN-UHFFFAOYSA-N 2 2 254.761 2.673 20 30 CFEDLP C=CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420933351 382499520 /nfs/dbraw/zinc/49/95/20/382499520.db2.gz IDMQPTUMTCONBB-UHFFFAOYSA-N 2 2 286.419 2.669 20 30 CFEDLP C=CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000420933351 382499523 /nfs/dbraw/zinc/49/95/23/382499523.db2.gz IDMQPTUMTCONBB-UHFFFAOYSA-N 2 2 286.419 2.669 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1cccc(C#N)c1 ZINC000346802998 382519539 /nfs/dbraw/zinc/51/95/39/382519539.db2.gz UTKNUWMEPFBVHO-XEZPLFJOSA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(C#N)c1 ZINC000346802998 382519545 /nfs/dbraw/zinc/51/95/45/382519545.db2.gz UTKNUWMEPFBVHO-XEZPLFJOSA-N 2 2 257.381 2.692 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000320646657 382538625 /nfs/dbraw/zinc/53/86/25/382538625.db2.gz OCIMNWXFBQOGFJ-CGTJXYLNSA-N 2 2 288.435 2.566 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000320646657 382538629 /nfs/dbraw/zinc/53/86/29/382538629.db2.gz OCIMNWXFBQOGFJ-CGTJXYLNSA-N 2 2 288.435 2.566 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000320647570 382538909 /nfs/dbraw/zinc/53/89/09/382538909.db2.gz OKBHIXBFVHBBJX-QZTJIDSGSA-N 2 2 288.435 2.568 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000320647570 382538913 /nfs/dbraw/zinc/53/89/13/382538913.db2.gz OKBHIXBFVHBBJX-QZTJIDSGSA-N 2 2 288.435 2.568 20 30 CFEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000358329121 382570776 /nfs/dbraw/zinc/57/07/76/382570776.db2.gz OBZFUVXWHQUMNW-USXIJHARSA-N 2 2 271.408 2.961 20 30 CFEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C1 ZINC000358329121 382570779 /nfs/dbraw/zinc/57/07/79/382570779.db2.gz OBZFUVXWHQUMNW-USXIJHARSA-N 2 2 271.408 2.961 20 30 CFEDLP C=CCC[C@H](CO)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000320184211 382536004 /nfs/dbraw/zinc/53/60/04/382536004.db2.gz AAWWFOFBNXCBLN-OAHLLOKOSA-N 2 2 285.391 2.597 20 30 CFEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)c(F)c1 ZINC000337195268 382774820 /nfs/dbraw/zinc/77/48/20/382774820.db2.gz ATSDVPKJNJVMBN-UHFFFAOYSA-N 2 2 275.371 2.615 20 30 CFEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)c(F)c1 ZINC000337195268 382774822 /nfs/dbraw/zinc/77/48/22/382774822.db2.gz ATSDVPKJNJVMBN-UHFFFAOYSA-N 2 2 275.371 2.615 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000442785332 382956821 /nfs/dbraw/zinc/95/68/21/382956821.db2.gz VLSYHLXKNRRTFR-PVAVHDDUSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442785332 382956824 /nfs/dbraw/zinc/95/68/24/382956824.db2.gz VLSYHLXKNRRTFR-PVAVHDDUSA-N 2 2 271.408 2.789 20 30 CFEDLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000578840538 382959206 /nfs/dbraw/zinc/95/92/06/382959206.db2.gz HWSAYGPWWFUISO-RHSMWYFYSA-N 2 2 271.408 2.941 20 30 CFEDLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000578840538 382959208 /nfs/dbraw/zinc/95/92/08/382959208.db2.gz HWSAYGPWWFUISO-RHSMWYFYSA-N 2 2 271.408 2.941 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000541535401 382965803 /nfs/dbraw/zinc/96/58/03/382965803.db2.gz CBJYPNZYXUMLFC-ZDUSSCGKSA-N 2 2 295.390 2.700 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000541535401 382965805 /nfs/dbraw/zinc/96/58/05/382965805.db2.gz CBJYPNZYXUMLFC-ZDUSSCGKSA-N 2 2 295.390 2.700 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000245759976 383033648 /nfs/dbraw/zinc/03/36/48/383033648.db2.gz PNHLIFKTKBYQGT-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000245759976 383033650 /nfs/dbraw/zinc/03/36/50/383033650.db2.gz PNHLIFKTKBYQGT-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000245759976 383033652 /nfs/dbraw/zinc/03/36/52/383033652.db2.gz PNHLIFKTKBYQGT-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000245759976 383033653 /nfs/dbraw/zinc/03/36/53/383033653.db2.gz PNHLIFKTKBYQGT-WFASDCNBSA-N 2 2 277.437 2.782 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(C#N)s1 ZINC000339052687 383133520 /nfs/dbraw/zinc/13/35/20/383133520.db2.gz WKDZVHRDWRVJBZ-UHFFFAOYSA-N 2 2 257.362 2.656 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CNCc1[nH]c(C)c(C)[nH+]1)C(C)C ZINC000566499052 383188333 /nfs/dbraw/zinc/18/83/33/383188333.db2.gz LPWVAWOIWXYBCC-INIZCTEOSA-N 2 2 290.455 2.815 20 30 CFEDLP Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c(C#N)c[nH+]1 ZINC000528117209 383474515 /nfs/dbraw/zinc/47/45/15/383474515.db2.gz LAPDSEGUVXXFAJ-MRXNPFEDSA-N 2 2 284.407 2.503 20 30 CFEDLP Cc1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)c(C#N)c[nH+]1 ZINC000528117209 383474518 /nfs/dbraw/zinc/47/45/18/383474518.db2.gz LAPDSEGUVXXFAJ-MRXNPFEDSA-N 2 2 284.407 2.503 20 30 CFEDLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000278253503 384508539 /nfs/dbraw/zinc/50/85/39/384508539.db2.gz MUFPGADSBPWWFW-CJNGLKHVSA-N 2 2 268.364 2.884 20 30 CFEDLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000278284279 384516364 /nfs/dbraw/zinc/51/63/64/384516364.db2.gz QFLKNSOBABBTCC-INIZCTEOSA-N 2 2 268.364 2.886 20 30 CFEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271016360 385303206 /nfs/dbraw/zinc/30/32/06/385303206.db2.gz IKUPNCWEHWBWGM-OAHLLOKOSA-N 2 2 296.374 2.670 20 30 CFEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000271016360 385303209 /nfs/dbraw/zinc/30/32/09/385303209.db2.gz IKUPNCWEHWBWGM-OAHLLOKOSA-N 2 2 296.374 2.670 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187705556 260052122 /nfs/dbraw/zinc/05/21/22/260052122.db2.gz YLKJBGXSNUHWQV-LLVKDONJSA-N 2 2 296.361 2.971 20 30 CFEDLP N#Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1F ZINC000268201223 131977061 /nfs/dbraw/zinc/97/70/61/131977061.db2.gz HYTWUBNFUGEBHB-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269463109 132174154 /nfs/dbraw/zinc/17/41/54/132174154.db2.gz YMSGSUCDKGQZPJ-GJZGRUSLSA-N 2 2 275.371 2.660 20 30 CFEDLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000269463108 132174461 /nfs/dbraw/zinc/17/44/61/132174461.db2.gz YMSGSUCDKGQZPJ-CABCVRRESA-N 2 2 275.371 2.660 20 30 CFEDLP CCCCCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374318184 393492839 /nfs/dbraw/zinc/49/28/39/393492839.db2.gz PQSZCVUYBOMIST-MSOLQXFVSA-N 2 2 295.515 2.915 20 30 CFEDLP CCCCCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000374318184 393492844 /nfs/dbraw/zinc/49/28/44/393492844.db2.gz PQSZCVUYBOMIST-MSOLQXFVSA-N 2 2 295.515 2.915 20 30 CFEDLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccc(C#N)cc1 ZINC000417358138 393950212 /nfs/dbraw/zinc/95/02/12/393950212.db2.gz SLIFYYVBKMIVLR-OAHLLOKOSA-N 2 2 257.381 2.693 20 30 CFEDLP Cc1ccc(NC(=[NH2+])NCc2cn3c([nH+]2)CCCC3)cc1C ZINC000262010338 393952778 /nfs/dbraw/zinc/95/27/78/393952778.db2.gz TUUYDSLCOCPFBC-UHFFFAOYSA-N 2 2 297.406 2.763 20 30 CFEDLP N#CC1(F)CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000348713558 393957696 /nfs/dbraw/zinc/95/76/96/393957696.db2.gz LOGDFTOOASAUFI-UHFFFAOYSA-N 2 2 290.367 2.761 20 30 CFEDLP CC#CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281996776 394107947 /nfs/dbraw/zinc/10/79/47/394107947.db2.gz INIQZQHJHVJWRB-OAHLLOKOSA-N 2 2 271.408 2.812 20 30 CFEDLP CC#CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281996776 394107949 /nfs/dbraw/zinc/10/79/49/394107949.db2.gz INIQZQHJHVJWRB-OAHLLOKOSA-N 2 2 271.408 2.812 20 30 CFEDLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(C#N)cc1 ZINC000423359083 394278724 /nfs/dbraw/zinc/27/87/24/394278724.db2.gz KCHYFGCLKOBVCV-KCXAZCMYSA-N 2 2 257.381 2.597 20 30 CFEDLP C=CCCCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472996 413344423 /nfs/dbraw/zinc/34/44/23/413344423.db2.gz CSIQJSPZWIUEGM-KRWDZBQOSA-N 2 2 280.456 2.920 20 30 CFEDLP C=CCCCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472996 413344434 /nfs/dbraw/zinc/34/44/34/413344434.db2.gz CSIQJSPZWIUEGM-KRWDZBQOSA-N 2 2 280.456 2.920 20 30 CFEDLP C=CCCCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653690331 413449332 /nfs/dbraw/zinc/44/93/32/413449332.db2.gz NIBXTSFNKBZOQV-HNNXBMFYSA-N 2 2 266.429 2.528 20 30 CFEDLP C=CCCCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653690331 413449341 /nfs/dbraw/zinc/44/93/41/413449341.db2.gz NIBXTSFNKBZOQV-HNNXBMFYSA-N 2 2 266.429 2.528 20 30 CFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)c2F)C1 ZINC000352868373 163256894 /nfs/dbraw/zinc/25/68/94/163256894.db2.gz LQPUNUBUDDUTSL-AWEZNQCLSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(C#N)c2F)C1 ZINC000352868373 163256895 /nfs/dbraw/zinc/25/68/95/163256895.db2.gz LQPUNUBUDDUTSL-AWEZNQCLSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000352868373 163256898 /nfs/dbraw/zinc/25/68/98/163256898.db2.gz LQPUNUBUDDUTSL-AWEZNQCLSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000352868373 163256901 /nfs/dbraw/zinc/25/69/01/163256901.db2.gz LQPUNUBUDDUTSL-AWEZNQCLSA-N 2 2 289.398 2.861 20 30 CFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000657530030 413714423 /nfs/dbraw/zinc/71/44/23/413714423.db2.gz LNXRKQOQOZGHFY-DZGCQCFKSA-N 2 2 276.428 2.711 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000657753275 413903846 /nfs/dbraw/zinc/90/38/46/413903846.db2.gz WDOYPQLOWVLDKX-HYVNUMGLSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000657869416 414017152 /nfs/dbraw/zinc/01/71/52/414017152.db2.gz WBGZVVXSHFJHBC-IKGGRYGDSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000657869416 414017158 /nfs/dbraw/zinc/01/71/58/414017158.db2.gz WBGZVVXSHFJHBC-IKGGRYGDSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657876507 414021059 /nfs/dbraw/zinc/02/10/59/414021059.db2.gz XIJTUTBFZRDNHM-ZDUSSCGKSA-N 2 2 254.443 2.512 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000658026450 414110298 /nfs/dbraw/zinc/11/02/98/414110298.db2.gz UOLXHMSDSCPZPQ-ZACQAIPSSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000658026450 414110308 /nfs/dbraw/zinc/11/03/08/414110308.db2.gz UOLXHMSDSCPZPQ-ZACQAIPSSA-N 2 2 280.456 2.558 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331665791 228117426 /nfs/dbraw/zinc/11/74/26/228117426.db2.gz OJSWOHFIQORMIN-PBHICJAKSA-N 2 2 280.375 2.963 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000363869229 261984165 /nfs/dbraw/zinc/98/41/65/261984165.db2.gz YDJKEAKUMOZDPJ-UHFFFAOYSA-N 2 2 295.430 2.850 20 30 CFEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000184090769 262008588 /nfs/dbraw/zinc/00/85/88/262008588.db2.gz UFVFMFNDMGKGEG-QGZVFWFLSA-N 2 2 296.418 2.805 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CCCC#N)C[N@H+](Cc2ccccc2)C1 ZINC000274410308 263023832 /nfs/dbraw/zinc/02/38/32/263023832.db2.gz ZVQNQJBCBBPSDV-DOTOQJQBSA-N 2 2 271.408 2.790 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CCCC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000274410308 263023833 /nfs/dbraw/zinc/02/38/33/263023833.db2.gz ZVQNQJBCBBPSDV-DOTOQJQBSA-N 2 2 271.408 2.790 20 30 CFEDLP C[N@@H+]1CC[C@@H]([NH2+]CCCSCC#N)[C@H]1c1ccccc1 ZINC000289459968 263110361 /nfs/dbraw/zinc/11/03/61/263110361.db2.gz VTNSWJOGQHBAJM-HZPDHXFCSA-N 2 2 289.448 2.668 20 30 CFEDLP C[N@H+]1CC[C@@H]([NH2+]CCCSCC#N)[C@H]1c1ccccc1 ZINC000289459968 263110362 /nfs/dbraw/zinc/11/03/62/263110362.db2.gz VTNSWJOGQHBAJM-HZPDHXFCSA-N 2 2 289.448 2.668 20 30 CFEDLP Cc1cc(C)c(NC(=O)NCC[N@@H+](C)C(C)C)c(C)[nH+]1 ZINC000331312883 264187418 /nfs/dbraw/zinc/18/74/18/264187418.db2.gz IBEYKSOCBCUDBN-UHFFFAOYSA-N 2 2 278.400 2.673 20 30 CFEDLP Cc1cc(C)c(NC(=O)NCC[N@H+](C)C(C)C)c(C)[nH+]1 ZINC000331312883 264187420 /nfs/dbraw/zinc/18/74/20/264187420.db2.gz IBEYKSOCBCUDBN-UHFFFAOYSA-N 2 2 278.400 2.673 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]CC1=CCCOC1)C(C)C ZINC000126439262 264218216 /nfs/dbraw/zinc/21/82/16/264218216.db2.gz HFZBTXBIZRQDTG-KRWDZBQOSA-N 2 2 278.440 2.621 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000129598037 278285374 /nfs/dbraw/zinc/28/53/74/278285374.db2.gz DZZFBRNPQXGYOF-XEZPLFJOSA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000129598037 278285376 /nfs/dbraw/zinc/28/53/76/278285376.db2.gz DZZFBRNPQXGYOF-XEZPLFJOSA-N 2 2 269.392 2.834 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)C2 ZINC000376494262 281541028 /nfs/dbraw/zinc/54/10/28/281541028.db2.gz ZURFZTVHZXTHJS-CJNGLKHVSA-N 2 2 280.375 2.729 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCn1cc[nH+]c1)CC2 ZINC000564432195 290209139 /nfs/dbraw/zinc/20/91/39/290209139.db2.gz QWOPJRJPHGVRLM-QGZVFWFLSA-N 2 2 280.375 2.812 20 30 CFEDLP C=CCCCCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000563367541 328059740 /nfs/dbraw/zinc/05/97/40/328059740.db2.gz ZHVDFPJPVVVMHB-INIZCTEOSA-N 2 2 280.456 2.918 20 30 CFEDLP C=CCCCCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000563367541 328059742 /nfs/dbraw/zinc/05/97/42/328059742.db2.gz ZHVDFPJPVVVMHB-INIZCTEOSA-N 2 2 280.456 2.918 20 30 CFEDLP N#CCc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000332468639 328740123 /nfs/dbraw/zinc/74/01/23/328740123.db2.gz RPYFMGUCGBCJNE-UHFFFAOYSA-N 2 2 280.375 2.855 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000180950045 329224128 /nfs/dbraw/zinc/22/41/28/329224128.db2.gz DQGUYNHCTXAJMP-ZOBUZTSGSA-N 2 2 273.424 2.846 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000180950045 329224129 /nfs/dbraw/zinc/22/41/29/329224129.db2.gz DQGUYNHCTXAJMP-ZOBUZTSGSA-N 2 2 273.424 2.846 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnc(OC)c2)CC1 ZINC000584387086 329316984 /nfs/dbraw/zinc/31/69/84/329316984.db2.gz FKTCOKDNEPJDKT-AWEZNQCLSA-N 2 2 289.423 2.781 20 30 CFEDLP C[NH+](C)[C@H](CNC(=[NH2+])N1CCCCCC1)c1cccs1 ZINC000262479111 330016254 /nfs/dbraw/zinc/01/62/54/330016254.db2.gz HSNFGWNFUAURCW-CYBMUJFWSA-N 2 2 294.468 2.542 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379651097 330145811 /nfs/dbraw/zinc/14/58/11/330145811.db2.gz UBJIEQCYBJDZIG-VYDXJSESSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379651097 330145812 /nfs/dbraw/zinc/14/58/12/330145812.db2.gz UBJIEQCYBJDZIG-VYDXJSESSA-N 2 2 271.408 2.789 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C(C)C ZINC000422838399 330157178 /nfs/dbraw/zinc/15/71/78/330157178.db2.gz XDEDMJWLVURVII-FGTMMUONSA-N 3 2 293.499 2.663 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422904023 330159548 /nfs/dbraw/zinc/15/95/48/330159548.db2.gz GJVXBLZYDCSFMZ-CVEARBPZSA-N 2 2 274.408 2.872 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422976692 330162197 /nfs/dbraw/zinc/16/21/97/330162197.db2.gz IQPROECMIYQPFC-KZNAEPCWSA-N 3 2 291.483 2.537 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000423280223 330185505 /nfs/dbraw/zinc/18/55/05/330185505.db2.gz SMOPKYPXEZRDES-ZBFHGGJFSA-N 2 2 263.429 2.971 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000423415632 330197640 /nfs/dbraw/zinc/19/76/40/330197640.db2.gz DYSNKXBGYJEIJV-FRFSOERESA-N 2 2 269.392 2.545 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527997769 330299646 /nfs/dbraw/zinc/29/96/46/330299646.db2.gz AWWNDGUERLOLGV-FMKPAKJESA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527997769 330299647 /nfs/dbraw/zinc/29/96/47/330299647.db2.gz AWWNDGUERLOLGV-FMKPAKJESA-N 2 2 261.413 2.675 20 30 CFEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000119959917 330381939 /nfs/dbraw/zinc/38/19/39/330381939.db2.gz WNPAMSWSGCMLIH-UXLLHSPISA-N 2 2 280.456 2.820 20 30 CFEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000119959917 330381940 /nfs/dbraw/zinc/38/19/40/330381940.db2.gz WNPAMSWSGCMLIH-UXLLHSPISA-N 2 2 280.456 2.820 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000435737273 330661322 /nfs/dbraw/zinc/66/13/22/330661322.db2.gz GLXOQJPADKIBLC-WMZOPIPTSA-N 2 2 297.402 2.943 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Cn1cc[nH+]c1 ZINC000449102704 330899207 /nfs/dbraw/zinc/89/92/07/330899207.db2.gz KZZMDXZHYRNLDW-WLYUNCDWSA-N 2 2 260.385 2.581 20 30 CFEDLP C=C(CC)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449737048 330947261 /nfs/dbraw/zinc/94/72/61/330947261.db2.gz YBINRDPRJPUUMT-UHFFFAOYSA-N 2 2 264.335 2.959 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488438722 332008466 /nfs/dbraw/zinc/00/84/66/332008466.db2.gz MXRINOJOKLKQJZ-HUUCEWRRSA-N 2 2 268.470 2.757 20 30 CFEDLP C=CCCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000517216471 333094874 /nfs/dbraw/zinc/09/48/74/333094874.db2.gz OGPIQNPBDRXRGR-UHFFFAOYSA-N 2 2 275.396 2.569 20 30 CFEDLP CC[C@H](CC#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000582012078 336191647 /nfs/dbraw/zinc/19/16/47/336191647.db2.gz VZDDRPKENTZGLQ-OAHLLOKOSA-N 2 2 268.364 2.963 20 30 CFEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCC#N)C1 ZINC000344331760 534134876 /nfs/dbraw/zinc/13/48/76/534134876.db2.gz BDEWDLAKVFWRLV-ZBFHGGJFSA-N 2 2 257.381 2.715 20 30 CFEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCC#N)C1 ZINC000344331760 534134883 /nfs/dbraw/zinc/13/48/83/534134883.db2.gz BDEWDLAKVFWRLV-ZBFHGGJFSA-N 2 2 257.381 2.715 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]CCCc2cnccc2C)CC1 ZINC000347814225 526451516 /nfs/dbraw/zinc/45/15/16/526451516.db2.gz YHRHKTBWPJFHHC-UHFFFAOYSA-N 2 2 273.424 2.563 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000347814225 526451519 /nfs/dbraw/zinc/45/15/19/526451519.db2.gz YHRHKTBWPJFHHC-UHFFFAOYSA-N 3 2 273.424 2.563 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(CC)c2C)CC1 ZINC000106245289 526602985 /nfs/dbraw/zinc/60/29/85/526602985.db2.gz FAZQUEBNLYBTDD-UHFFFAOYSA-N 2 2 290.455 2.650 20 30 CFEDLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423270002 528518729 /nfs/dbraw/zinc/51/87/29/528518729.db2.gz WFWHGPUWFJBJQF-DGCLKSJQSA-N 2 2 263.360 2.721 20 30 CFEDLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423265813 528519014 /nfs/dbraw/zinc/51/90/14/528519014.db2.gz RKBXAURJAQHUFY-BXUZGUMPSA-N 2 2 263.360 2.721 20 30 CFEDLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423302902 528956014 /nfs/dbraw/zinc/95/60/14/528956014.db2.gz WGFMFQUFJCXJPC-WCQYABFASA-N 2 2 263.360 2.865 20 30 CFEDLP N#Cc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cs1 ZINC000891844647 617784560 /nfs/dbraw/zinc/78/45/60/617784560.db2.gz JWDOMJOSICVWMX-UHFFFAOYSA-N 2 2 272.377 2.722 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2csc(C#N)c2)C[C@H]1C ZINC000892101679 617949706 /nfs/dbraw/zinc/94/97/06/617949706.db2.gz BDGOHAZXICYTIS-OCCSQVGLSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2csc(C#N)c2)C[C@H]1C ZINC000892101679 617949710 /nfs/dbraw/zinc/94/97/10/617949710.db2.gz BDGOHAZXICYTIS-OCCSQVGLSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2csc(C#N)c2)C[C@H]1C ZINC000892101679 617949712 /nfs/dbraw/zinc/94/97/12/617949712.db2.gz BDGOHAZXICYTIS-OCCSQVGLSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2csc(C#N)c2)C[C@H]1C ZINC000892101679 617949714 /nfs/dbraw/zinc/94/97/14/617949714.db2.gz BDGOHAZXICYTIS-OCCSQVGLSA-N 2 2 277.437 2.924 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2csc(C#N)c2)CC[N@@H+]1C ZINC000892105585 617953793 /nfs/dbraw/zinc/95/37/93/617953793.db2.gz NVOWARNVMKUCAV-AAEUAGOBSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2csc(C#N)c2)CC[N@H+]1C ZINC000892105585 617953797 /nfs/dbraw/zinc/95/37/97/617953797.db2.gz NVOWARNVMKUCAV-AAEUAGOBSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2csc(C#N)c2)CC[NH+]1C ZINC000892105585 617953799 /nfs/dbraw/zinc/95/37/99/617953799.db2.gz NVOWARNVMKUCAV-AAEUAGOBSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)CC[NH+]1C ZINC000892105585 617953801 /nfs/dbraw/zinc/95/38/01/617953801.db2.gz NVOWARNVMKUCAV-AAEUAGOBSA-N 2 2 263.410 2.534 20 30 CFEDLP CCC[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000051814336 618078308 /nfs/dbraw/zinc/07/83/08/618078308.db2.gz AHFZYGJDQAIJQV-UHFFFAOYSA-N 2 2 256.393 2.502 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000248063990 618193274 /nfs/dbraw/zinc/19/32/74/618193274.db2.gz ZBSHVTDIANGESW-NVXWUHKLSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000248063990 618193275 /nfs/dbraw/zinc/19/32/75/618193275.db2.gz ZBSHVTDIANGESW-NVXWUHKLSA-N 2 2 286.419 2.834 20 30 CFEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000892678696 618700416 /nfs/dbraw/zinc/70/04/16/618700416.db2.gz DYKUYJAOUPVHAZ-UHFFFAOYSA-N 2 2 268.404 2.645 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925142560 619959482 /nfs/dbraw/zinc/95/94/82/619959482.db2.gz OLLHKUFIBYFDFD-BJJXKVORSA-N 2 2 287.407 2.787 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925142560 619959483 /nfs/dbraw/zinc/95/94/83/619959483.db2.gz OLLHKUFIBYFDFD-BJJXKVORSA-N 2 2 287.407 2.787 20 30 CFEDLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cc(C#N)ccn1 ZINC000902951968 621213121 /nfs/dbraw/zinc/21/31/21/621213121.db2.gz RQJRLLNIYVQXIZ-LSDHHAIUSA-N 2 2 286.423 2.868 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(C#N)c1 ZINC000902992772 621219812 /nfs/dbraw/zinc/21/98/12/621219812.db2.gz LZEYUDFAYNOSNA-HUUCEWRRSA-N 2 2 280.375 2.880 20 30 CFEDLP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cc(C#N)ccn1 ZINC000902971440 621220781 /nfs/dbraw/zinc/22/07/81/621220781.db2.gz UETIBYSNMRXKTE-CQSZACIVSA-N 2 2 286.423 2.726 20 30 CFEDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903454926 621388092 /nfs/dbraw/zinc/38/80/92/621388092.db2.gz OAKORVGMTYRCJS-JRPNMDOOSA-N 2 2 277.799 2.688 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000903454946 621388277 /nfs/dbraw/zinc/38/82/77/621388277.db2.gz OOFBXJFDEYAIGG-PZSREKOKSA-N 2 2 271.408 2.651 20 30 CFEDLP C=CCO[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000835016285 623935769 /nfs/dbraw/zinc/93/57/69/623935769.db2.gz SBMRTSOGQRJXNT-UHFFFAOYSA-N 2 2 293.798 2.628 20 30 CFEDLP CC(C)(C)[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921561308 625989478 /nfs/dbraw/zinc/98/94/78/625989478.db2.gz CKFGZKUIYKMWBH-UHFFFAOYSA-N 2 2 277.437 2.972 20 30 CFEDLP N#Cc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cs1 ZINC000921611335 625993430 /nfs/dbraw/zinc/99/34/30/625993430.db2.gz FHCUTDNMKXSNBP-UHFFFAOYSA-N 2 2 275.421 2.726 20 30 CFEDLP C=C(C[NH+](C)C)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921659029 626052028 /nfs/dbraw/zinc/05/20/28/626052028.db2.gz HTSOEBUQFRQMGY-UHFFFAOYSA-N 2 2 298.390 2.750 20 30 CFEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000810220561 631346343 /nfs/dbraw/zinc/34/63/43/631346343.db2.gz ZWXIRKPDIQEEAW-CXAGYDPISA-N 2 2 269.392 2.619 20 30 CFEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000810220561 631346347 /nfs/dbraw/zinc/34/63/47/631346347.db2.gz ZWXIRKPDIQEEAW-CXAGYDPISA-N 2 2 269.392 2.619 20 30 CFEDLP C#C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843408541 631946424 /nfs/dbraw/zinc/94/64/24/631946424.db2.gz GXLHNYKENUKMAS-RDJZCZTQSA-N 2 2 268.404 2.795 20 30 CFEDLP C#C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843408541 631946428 /nfs/dbraw/zinc/94/64/28/631946428.db2.gz GXLHNYKENUKMAS-RDJZCZTQSA-N 2 2 268.404 2.795 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000815652151 632305186 /nfs/dbraw/zinc/30/51/86/632305186.db2.gz RDSRTOURNFCDTQ-KRWDZBQOSA-N 2 2 274.408 2.974 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000815652151 632305191 /nfs/dbraw/zinc/30/51/91/632305191.db2.gz RDSRTOURNFCDTQ-KRWDZBQOSA-N 2 2 274.408 2.974 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000815652748 632307134 /nfs/dbraw/zinc/30/71/34/632307134.db2.gz QGAJYQXACWLCKH-MRXNPFEDSA-N 2 2 280.362 2.961 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000815652748 632307137 /nfs/dbraw/zinc/30/71/37/632307137.db2.gz QGAJYQXACWLCKH-MRXNPFEDSA-N 2 2 280.362 2.961 20 30 CFEDLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000848574535 633293830 /nfs/dbraw/zinc/29/38/30/633293830.db2.gz FJPSFJNAOPZELP-IRXDYDNUSA-N 2 2 299.418 2.673 20 30 CFEDLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000848574535 633293835 /nfs/dbraw/zinc/29/38/35/633293835.db2.gz FJPSFJNAOPZELP-IRXDYDNUSA-N 2 2 299.418 2.673 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000850553711 634051433 /nfs/dbraw/zinc/05/14/33/634051433.db2.gz BHRMGOGVGYPYNE-DOTOQJQBSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000850553711 634051439 /nfs/dbraw/zinc/05/14/39/634051439.db2.gz BHRMGOGVGYPYNE-DOTOQJQBSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000850553712 634051632 /nfs/dbraw/zinc/05/16/32/634051632.db2.gz BHRMGOGVGYPYNE-NVXWUHKLSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CCC)C2)cc1 ZINC000850553712 634051641 /nfs/dbraw/zinc/05/16/41/634051641.db2.gz BHRMGOGVGYPYNE-NVXWUHKLSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159032810 650246235 /nfs/dbraw/zinc/24/62/35/650246235.db2.gz USWVRICSYDFYDP-MSOLQXFVSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159032810 650246236 /nfs/dbraw/zinc/24/62/36/650246236.db2.gz USWVRICSYDFYDP-MSOLQXFVSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159032810 650246239 /nfs/dbraw/zinc/24/62/39/650246239.db2.gz USWVRICSYDFYDP-MSOLQXFVSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159032810 650246241 /nfs/dbraw/zinc/24/62/41/650246241.db2.gz USWVRICSYDFYDP-MSOLQXFVSA-N 2 2 268.404 2.606 20 30 CFEDLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866211396 638771262 /nfs/dbraw/zinc/77/12/62/638771262.db2.gz HGNZXSCNGQUAJH-ZDUSSCGKSA-N 2 2 275.396 2.646 20 30 CFEDLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866240768 638777831 /nfs/dbraw/zinc/77/78/31/638777831.db2.gz MXOWORAYVASSGI-KGLIPLIRSA-N 2 2 287.407 2.646 20 30 CFEDLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866240768 638777832 /nfs/dbraw/zinc/77/78/32/638777832.db2.gz MXOWORAYVASSGI-KGLIPLIRSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000866378015 638809685 /nfs/dbraw/zinc/80/96/85/638809685.db2.gz LNKMOYADZNAZPF-LRVUVFPRSA-N 2 2 287.407 2.787 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000876955999 643078797 /nfs/dbraw/zinc/07/87/97/643078797.db2.gz DLDSXGCWCVSORL-HZPDHXFCSA-N 2 2 293.455 2.549 20 30 CFEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CC=C)CC1)[C@H]1CCCO1 ZINC000883187705 645648902 /nfs/dbraw/zinc/64/89/02/645648902.db2.gz UKFSECBNIKAYRZ-DLBZAZTESA-N 2 2 278.440 2.740 20 30 CFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCO1 ZINC000883188219 645650633 /nfs/dbraw/zinc/65/06/33/645650633.db2.gz GTFJHZBRESDLBM-ULQDDVLXSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCO1 ZINC000883188219 645650637 /nfs/dbraw/zinc/65/06/37/645650637.db2.gz GTFJHZBRESDLBM-ULQDDVLXSA-N 2 2 278.440 2.574 20 30 CFEDLP C#CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCC1 ZINC000883363008 645769457 /nfs/dbraw/zinc/76/94/57/645769457.db2.gz SVJYOHZTMOJSSW-UHFFFAOYSA-N 2 2 271.389 2.969 20 30 CFEDLP CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CC[N@H+]2CC)c(O)c1 ZINC000887270528 647256879 /nfs/dbraw/zinc/25/68/79/647256879.db2.gz PCIZSIMOUKKLQB-YAJBTMAUSA-N 2 2 289.423 2.752 20 30 CFEDLP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(C#N)c1O ZINC000924527140 647987328 /nfs/dbraw/zinc/98/73/28/647987328.db2.gz PEDRZCKQXPEHGQ-OAHLLOKOSA-N 2 2 289.423 2.892 20 30 CFEDLP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(C#N)c1O ZINC000924527139 647987563 /nfs/dbraw/zinc/98/75/63/647987563.db2.gz PEDRZCKQXPEHGQ-HNNXBMFYSA-N 2 2 289.423 2.892 20 30 CFEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000925025568 648089714 /nfs/dbraw/zinc/08/97/14/648089714.db2.gz DANFQUXLSBMLRD-KGLIPLIRSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000925025568 648089718 /nfs/dbraw/zinc/08/97/18/648089718.db2.gz DANFQUXLSBMLRD-KGLIPLIRSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925620031 648242739 /nfs/dbraw/zinc/24/27/39/648242739.db2.gz SLSWKUJCUUJNOL-HOCLYGCPSA-N 2 2 287.407 2.598 20 30 CFEDLP CSc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1C#N ZINC000925774654 648317178 /nfs/dbraw/zinc/31/71/78/648317178.db2.gz XCWPINAAQNNAFX-RISCZKNCSA-N 2 2 275.421 2.510 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926427225 648484159 /nfs/dbraw/zinc/48/41/59/648484159.db2.gz XLKGMJKGZGHHFX-LSDHHAIUSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926427225 648484163 /nfs/dbraw/zinc/48/41/63/648484163.db2.gz XLKGMJKGZGHHFX-LSDHHAIUSA-N 2 2 263.429 2.923 20 30 CFEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926512602 648515811 /nfs/dbraw/zinc/51/58/11/648515811.db2.gz HXOYPTUPFZSEQN-JONQDZQNSA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926512602 648515815 /nfs/dbraw/zinc/51/58/15/648515815.db2.gz HXOYPTUPFZSEQN-JONQDZQNSA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926673935 648570239 /nfs/dbraw/zinc/57/02/39/648570239.db2.gz MGXOOFZBAOESDE-RBSFLKMASA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926673935 648570242 /nfs/dbraw/zinc/57/02/42/648570242.db2.gz MGXOOFZBAOESDE-RBSFLKMASA-N 2 2 263.429 2.921 20 30 CFEDLP Cc1ccc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1C#N ZINC000931313252 649404719 /nfs/dbraw/zinc/40/47/19/649404719.db2.gz ADZXQYALCQXNGU-QZTJIDSGSA-N 2 2 283.419 2.640 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310756 649405059 /nfs/dbraw/zinc/40/50/59/649405059.db2.gz MWZRCYSAHMQVJE-JLSDUUJJSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513265 649444622 /nfs/dbraw/zinc/44/46/22/649444622.db2.gz UAKWFVQKBXOJBR-LBPRGKRZSA-N 2 2 278.359 2.655 20 30 CFEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513265 649444624 /nfs/dbraw/zinc/44/46/24/649444624.db2.gz UAKWFVQKBXOJBR-LBPRGKRZSA-N 2 2 278.359 2.655 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001232109857 777442525 /nfs/dbraw/zinc/44/25/25/777442525.db2.gz GRMGNMUPHCAVOW-UHFFFAOYSA-N 2 2 277.799 2.738 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001232109857 777442533 /nfs/dbraw/zinc/44/25/33/777442533.db2.gz GRMGNMUPHCAVOW-UHFFFAOYSA-N 2 2 277.799 2.738 20 30 CFEDLP Cc1cc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)cc[nH+]1 ZINC001232845006 777691304 /nfs/dbraw/zinc/69/13/04/777691304.db2.gz IVOGFJHXZHUXTC-UHFFFAOYSA-N 2 2 298.415 2.645 20 30 CFEDLP N#Cc1ccc(CCC[N@@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235122592 778391559 /nfs/dbraw/zinc/39/15/59/778391559.db2.gz HKCXVAIJEWHCMW-SFHVURJKSA-N 2 2 283.419 2.709 20 30 CFEDLP N#Cc1ccc(CCC[N@H+]2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235122592 778391564 /nfs/dbraw/zinc/39/15/64/778391564.db2.gz HKCXVAIJEWHCMW-SFHVURJKSA-N 2 2 283.419 2.709 20 30 CFEDLP C#Cc1cccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235181073 778405865 /nfs/dbraw/zinc/40/58/65/778405865.db2.gz XNCCHSBEYPLUFX-SFHVURJKSA-N 2 2 268.404 2.776 20 30 CFEDLP C#Cc1cccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235181073 778405868 /nfs/dbraw/zinc/40/58/68/778405868.db2.gz XNCCHSBEYPLUFX-SFHVURJKSA-N 2 2 268.404 2.776 20 30 CFEDLP N#CCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277943591 778483891 /nfs/dbraw/zinc/48/38/91/778483891.db2.gz ZTDKUTWQQKWJJO-QGZVFWFLSA-N 2 2 286.423 2.606 20 30 CFEDLP N#CCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277943591 778483894 /nfs/dbraw/zinc/48/38/94/778483894.db2.gz ZTDKUTWQQKWJJO-QGZVFWFLSA-N 2 2 286.423 2.606 20 30 CFEDLP N#CCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277943591 778483899 /nfs/dbraw/zinc/48/38/99/778483899.db2.gz ZTDKUTWQQKWJJO-QGZVFWFLSA-N 2 2 286.423 2.606 20 30 CFEDLP N#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277943591 778483901 /nfs/dbraw/zinc/48/39/01/778483901.db2.gz ZTDKUTWQQKWJJO-QGZVFWFLSA-N 2 2 286.423 2.606 20 30 CFEDLP N#Cc1cccc(C2CC[NH+](C[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235719505 778546701 /nfs/dbraw/zinc/54/67/01/778546701.db2.gz VOIIPFBOXVCYAD-SFHVURJKSA-N 2 2 283.419 2.880 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235892295 778592953 /nfs/dbraw/zinc/59/29/53/778592953.db2.gz OLIAYORTSDPJPO-ZFWWWQNUSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235892295 778592956 /nfs/dbraw/zinc/59/29/56/778592956.db2.gz OLIAYORTSDPJPO-ZFWWWQNUSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218035 778742573 /nfs/dbraw/zinc/74/25/73/778742573.db2.gz RCAKIYYBCBVUKG-HOTGVXAUSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1ccccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218035 778742577 /nfs/dbraw/zinc/74/25/77/778742577.db2.gz RCAKIYYBCBVUKG-HOTGVXAUSA-N 2 2 274.408 2.953 20 30 CFEDLP N#Cc1cc(-c2cccc3[nH+]ccn32)cc(C2C[NH2+]C2)c1 ZINC001240351480 780103250 /nfs/dbraw/zinc/10/32/50/780103250.db2.gz RLESYONVVAYGAV-UHFFFAOYSA-N 2 2 274.327 2.560 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000707756709 781262137 /nfs/dbraw/zinc/26/21/37/781262137.db2.gz OCRDDNZPSJVXIY-UHFFFAOYSA-N 2 2 290.354 2.812 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000707756709 781262139 /nfs/dbraw/zinc/26/21/39/781262139.db2.gz OCRDDNZPSJVXIY-UHFFFAOYSA-N 2 2 290.354 2.812 20 30 CFEDLP N#Cc1ccccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001242717270 781717215 /nfs/dbraw/zinc/71/72/15/781717215.db2.gz TXVRBSNYECQCGV-INIZCTEOSA-N 2 2 277.371 2.758 20 30 CFEDLP N#Cc1ccccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001242717270 781717221 /nfs/dbraw/zinc/71/72/21/781717221.db2.gz TXVRBSNYECQCGV-INIZCTEOSA-N 2 2 277.371 2.758 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2nccn2C)C2CC2)CC1 ZINC000127667103 187325009 /nfs/dbraw/zinc/32/50/09/187325009.db2.gz KBWSGZJSCVOTOF-INIZCTEOSA-N 2 2 288.439 2.501 20 30 CFEDLP Cc1[nH+]cc(C[NH2+][C@@H](CCC#N)c2ccccc2)n1C ZINC000594960815 349530269 /nfs/dbraw/zinc/53/02/69/349530269.db2.gz XLDFUAGWWVLOSQ-INIZCTEOSA-N 2 2 268.364 2.863 20 30 CFEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097191 349581505 /nfs/dbraw/zinc/58/15/05/349581505.db2.gz RWXCCUOIMRIOMM-DOTOQJQBSA-N 2 2 269.392 2.619 20 30 CFEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097191 349581508 /nfs/dbraw/zinc/58/15/08/349581508.db2.gz RWXCCUOIMRIOMM-DOTOQJQBSA-N 2 2 269.392 2.619 20 30 CFEDLP N#Cc1ccc(CC[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000595888451 349761549 /nfs/dbraw/zinc/76/15/49/349761549.db2.gz MHTKESQZEGDPAP-UHFFFAOYSA-N 2 2 279.387 2.562 20 30 CFEDLP N#Cc1ccc(CC[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000595888451 349761550 /nfs/dbraw/zinc/76/15/50/349761550.db2.gz MHTKESQZEGDPAP-UHFFFAOYSA-N 2 2 279.387 2.562 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]Cc1cc[nH]c1)C(C)C ZINC000086250170 179255869 /nfs/dbraw/zinc/25/58/69/179255869.db2.gz YXUFVNKBSBIWHD-INIZCTEOSA-N 2 2 261.413 2.803 20 30 CFEDLP C=C(C)COCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000125819210 347829653 /nfs/dbraw/zinc/82/96/53/347829653.db2.gz RQHVLFFNEGLAHB-UHFFFAOYSA-N 2 2 271.364 2.555 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412656 348295456 /nfs/dbraw/zinc/29/54/56/348295456.db2.gz AKWRRPLWNQWBPG-IAGOWNOFSA-N 2 2 269.392 2.522 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412656 348295459 /nfs/dbraw/zinc/29/54/59/348295459.db2.gz AKWRRPLWNQWBPG-IAGOWNOFSA-N 2 2 269.392 2.522 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309743300 348407321 /nfs/dbraw/zinc/40/73/21/348407321.db2.gz WSKHDMDQLOBBAF-HLLBOEOZSA-N 2 2 271.408 2.646 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743300 348407325 /nfs/dbraw/zinc/40/73/25/348407325.db2.gz WSKHDMDQLOBBAF-HLLBOEOZSA-N 2 2 271.408 2.646 20 30 CFEDLP CCC[NH2+]CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577684 349031168 /nfs/dbraw/zinc/03/11/68/349031168.db2.gz BGCHTQNNKJZYMP-MRXNPFEDSA-N 2 2 257.381 2.525 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC000593653371 349304697 /nfs/dbraw/zinc/30/46/97/349304697.db2.gz IJQISAFBJVZDGE-UHFFFAOYSA-N 2 2 261.413 2.534 20 30 CFEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)[C@@H]2C1 ZINC000597077689 350024811 /nfs/dbraw/zinc/02/48/11/350024811.db2.gz WVVINCOCRTXBGB-SJLPKXTDSA-N 2 2 295.430 2.768 20 30 CFEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)[C@@H]2C1 ZINC000597077689 350024816 /nfs/dbraw/zinc/02/48/16/350024816.db2.gz WVVINCOCRTXBGB-SJLPKXTDSA-N 2 2 295.430 2.768 20 30 CFEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@@H]2C1 ZINC000597077689 350024818 /nfs/dbraw/zinc/02/48/18/350024818.db2.gz WVVINCOCRTXBGB-SJLPKXTDSA-N 2 2 295.430 2.768 20 30 CFEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@@H]2C1 ZINC000597077689 350024823 /nfs/dbraw/zinc/02/48/23/350024823.db2.gz WVVINCOCRTXBGB-SJLPKXTDSA-N 2 2 295.430 2.768 20 30 CFEDLP N#Cc1ccccc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000598678960 350309358 /nfs/dbraw/zinc/30/93/58/350309358.db2.gz BJXBJPFYEADIET-MRXNPFEDSA-N 2 2 257.381 2.555 20 30 CFEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000599067323 350369351 /nfs/dbraw/zinc/36/93/51/350369351.db2.gz SPPPBGZFQAXPRE-NVXWUHKLSA-N 2 2 269.392 2.619 20 30 CFEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000599067323 350369355 /nfs/dbraw/zinc/36/93/55/350369355.db2.gz SPPPBGZFQAXPRE-NVXWUHKLSA-N 2 2 269.392 2.619 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000599287668 350407234 /nfs/dbraw/zinc/40/72/34/350407234.db2.gz NJMROUGSHMQFBU-KRWDZBQOSA-N 2 2 280.375 2.900 20 30 CFEDLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000599287668 350407238 /nfs/dbraw/zinc/40/72/38/350407238.db2.gz NJMROUGSHMQFBU-KRWDZBQOSA-N 2 2 280.375 2.900 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000600725944 350602165 /nfs/dbraw/zinc/60/21/65/350602165.db2.gz KVVZZDBDROSKCQ-KBPBESRZSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000600725944 350602167 /nfs/dbraw/zinc/60/21/67/350602167.db2.gz KVVZZDBDROSKCQ-KBPBESRZSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)o1 ZINC000600770136 350607734 /nfs/dbraw/zinc/60/77/34/350607734.db2.gz VOKOSQNKZIDACH-UHFFFAOYSA-N 2 2 269.348 2.502 20 30 CFEDLP N#Cc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)o1 ZINC000600770136 350607735 /nfs/dbraw/zinc/60/77/35/350607735.db2.gz VOKOSQNKZIDACH-UHFFFAOYSA-N 2 2 269.348 2.502 20 30 CFEDLP CCC1([NH+](C)C)CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000601229481 350704403 /nfs/dbraw/zinc/70/44/03/350704403.db2.gz RAKFGWSGAVWNBW-UHFFFAOYSA-N 2 2 272.396 2.572 20 30 CFEDLP CC(C)C[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602002203 350827436 /nfs/dbraw/zinc/82/74/36/350827436.db2.gz DBKULZMPBWFIOO-UHFFFAOYSA-N 2 2 289.398 2.907 20 30 CFEDLP C[C@H](C[NH2+]Cc1cccc(F)c1C#N)C[NH+]1CCCC1 ZINC000602005170 350827975 /nfs/dbraw/zinc/82/79/75/350827975.db2.gz NFPTWGAZIGQIDV-CYBMUJFWSA-N 2 2 275.371 2.519 20 30 CFEDLP CC(C)C[C@H](C[NH2+]C1CCC(C#N)CC1)[NH+](C)C ZINC000602511594 350910570 /nfs/dbraw/zinc/91/05/70/350910570.db2.gz OVVPDLICUWGYFB-YMAMQOFZSA-N 2 2 251.418 2.635 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000602516374 350912033 /nfs/dbraw/zinc/91/20/33/350912033.db2.gz ZZRKGSVQXFSPOH-QVOMUQBLSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@H+]1CCCC[C@H]1C ZINC000602516374 350912038 /nfs/dbraw/zinc/91/20/38/350912038.db2.gz ZZRKGSVQXFSPOH-QVOMUQBLSA-N 2 2 263.429 2.921 20 30 CFEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602547960 350920115 /nfs/dbraw/zinc/92/01/15/350920115.db2.gz KJZDFMFKSJSAPO-UYSNPLJNSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602547960 350920120 /nfs/dbraw/zinc/92/01/20/350920120.db2.gz KJZDFMFKSJSAPO-UYSNPLJNSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)[NH+](CCC[NH2+]Cc1cccc(C#N)n1)C(C)C ZINC000602570643 350928320 /nfs/dbraw/zinc/92/83/20/350928320.db2.gz UYAGOILFWKARAN-UHFFFAOYSA-N 2 2 274.412 2.552 20 30 CFEDLP C[C@H](CCC#N)C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000602466455 350892357 /nfs/dbraw/zinc/89/23/57/350892357.db2.gz VOKDZCAHSJTSRS-CVEARBPZSA-N 2 2 263.429 2.877 20 30 CFEDLP C[C@H](CCC#N)C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000602466455 350892360 /nfs/dbraw/zinc/89/23/60/350892360.db2.gz VOKDZCAHSJTSRS-CVEARBPZSA-N 2 2 263.429 2.877 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000602645181 350959943 /nfs/dbraw/zinc/95/99/43/350959943.db2.gz VXSIAQCNOLCSLC-KGLIPLIRSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000602645181 350959946 /nfs/dbraw/zinc/95/99/46/350959946.db2.gz VXSIAQCNOLCSLC-KGLIPLIRSA-N 2 2 251.418 2.636 20 30 CFEDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(F)c2C#N)C1 ZINC000602666737 350967394 /nfs/dbraw/zinc/96/73/94/350967394.db2.gz OOFALHFTTKTZIA-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(F)c2C#N)C1 ZINC000602666737 350967398 /nfs/dbraw/zinc/96/73/98/350967398.db2.gz OOFALHFTTKTZIA-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cccc(F)c2C#N)C1 ZINC000602666737 350967402 /nfs/dbraw/zinc/96/74/02/350967402.db2.gz OOFALHFTTKTZIA-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cccc(F)c2C#N)C1 ZINC000602666737 350967406 /nfs/dbraw/zinc/96/74/06/350967406.db2.gz OOFALHFTTKTZIA-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP N#CCC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000602796076 351028597 /nfs/dbraw/zinc/02/85/97/351028597.db2.gz JWJCRQISFXZZQN-GDBMZVCRSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000602796076 351028601 /nfs/dbraw/zinc/02/86/01/351028601.db2.gz JWJCRQISFXZZQN-GDBMZVCRSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000602796076 351028603 /nfs/dbraw/zinc/02/86/03/351028603.db2.gz JWJCRQISFXZZQN-GDBMZVCRSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000602796076 351028608 /nfs/dbraw/zinc/02/86/08/351028608.db2.gz JWJCRQISFXZZQN-GDBMZVCRSA-N 2 2 273.424 2.629 20 30 CFEDLP N#CCc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000612070187 351769124 /nfs/dbraw/zinc/76/91/24/351769124.db2.gz KOGDQAIVUUOKGY-QGZVFWFLSA-N 2 2 280.375 2.786 20 30 CFEDLP N#CCc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000612070187 351769128 /nfs/dbraw/zinc/76/91/28/351769128.db2.gz KOGDQAIVUUOKGY-QGZVFWFLSA-N 2 2 280.375 2.786 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000123462008 187093474 /nfs/dbraw/zinc/09/34/74/187093474.db2.gz VQMBRVGVQDORTP-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC000123462008 187093475 /nfs/dbraw/zinc/09/34/75/187093475.db2.gz VQMBRVGVQDORTP-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)CC[NH+]1C ZINC000123462008 187093476 /nfs/dbraw/zinc/09/34/76/187093476.db2.gz VQMBRVGVQDORTP-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)CC[NH+]1C ZINC000123462008 187093477 /nfs/dbraw/zinc/09/34/77/187093477.db2.gz VQMBRVGVQDORTP-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618567761 352811297 /nfs/dbraw/zinc/81/12/97/352811297.db2.gz DGLWQQQCHUEQBI-HUUCEWRRSA-N 2 2 293.455 2.548 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000618577754 352817376 /nfs/dbraw/zinc/81/73/76/352817376.db2.gz FCKREOQJZQBDAD-YCPHGPKFSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000618577754 352817378 /nfs/dbraw/zinc/81/73/78/352817378.db2.gz FCKREOQJZQBDAD-YCPHGPKFSA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804340 352883036 /nfs/dbraw/zinc/88/30/36/352883036.db2.gz KTONFMNOIIOKOX-OCBCSQNSSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804340 352883038 /nfs/dbraw/zinc/88/30/38/352883038.db2.gz KTONFMNOIIOKOX-OCBCSQNSSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000618804459 352883973 /nfs/dbraw/zinc/88/39/73/352883973.db2.gz ADQCPLSVQDKKNX-CDHAZOANSA-N 2 2 281.403 2.760 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000618804459 352883975 /nfs/dbraw/zinc/88/39/75/352883975.db2.gz ADQCPLSVQDKKNX-CDHAZOANSA-N 2 2 281.403 2.760 20 30 CFEDLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000619672833 353047927 /nfs/dbraw/zinc/04/79/27/353047927.db2.gz KNKRGGXMRFPORY-XIRDDKMYSA-N 2 2 294.402 2.986 20 30 CFEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000154533266 188149209 /nfs/dbraw/zinc/14/92/09/188149209.db2.gz VWOOFUBHTPOMTB-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000154533266 188149210 /nfs/dbraw/zinc/14/92/10/188149210.db2.gz VWOOFUBHTPOMTB-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154533266 188149211 /nfs/dbraw/zinc/14/92/11/188149211.db2.gz VWOOFUBHTPOMTB-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154533266 188149213 /nfs/dbraw/zinc/14/92/13/188149213.db2.gz VWOOFUBHTPOMTB-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000177590692 189058869 /nfs/dbraw/zinc/05/88/69/189058869.db2.gz GSRPABOWKKACAK-UHFFFAOYSA-N 2 2 266.348 2.545 20 30 CFEDLP C=CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(OC)cc1 ZINC000667534961 541251712 /nfs/dbraw/zinc/25/17/12/541251712.db2.gz RTGDQFXZVGXUFW-UHFFFAOYSA-N 2 2 285.391 2.925 20 30 CFEDLP C=CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(OC)cc1 ZINC000667534961 541251716 /nfs/dbraw/zinc/25/17/16/541251716.db2.gz RTGDQFXZVGXUFW-UHFFFAOYSA-N 2 2 285.391 2.925 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2sc(C)nc2C)CC1 ZINC000076869201 374559772 /nfs/dbraw/zinc/55/97/72/374559772.db2.gz BIZTVCWBVUVQTA-UHFFFAOYSA-N 2 2 279.453 2.890 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000093639618 375278211 /nfs/dbraw/zinc/27/82/11/375278211.db2.gz PNHLIFKTKBYQGT-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000093639618 375278215 /nfs/dbraw/zinc/27/82/15/375278215.db2.gz PNHLIFKTKBYQGT-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000093639618 375278219 /nfs/dbraw/zinc/27/82/19/375278219.db2.gz PNHLIFKTKBYQGT-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000093639618 375278224 /nfs/dbraw/zinc/27/82/24/375278224.db2.gz PNHLIFKTKBYQGT-DOMZBBRYSA-N 2 2 277.437 2.782 20 30 CFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000093753035 375304246 /nfs/dbraw/zinc/30/42/46/375304246.db2.gz NPUVQSLDDAEHJH-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000093753035 375304251 /nfs/dbraw/zinc/30/42/51/375304251.db2.gz NPUVQSLDDAEHJH-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093753035 375304256 /nfs/dbraw/zinc/30/42/56/375304256.db2.gz NPUVQSLDDAEHJH-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000093753035 375304263 /nfs/dbraw/zinc/30/42/63/375304263.db2.gz NPUVQSLDDAEHJH-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000093563820 375268313 /nfs/dbraw/zinc/26/83/13/375268313.db2.gz FARLAZVRACKLMC-CQSZACIVSA-N 2 2 273.380 2.602 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)o1 ZINC000093563820 375268316 /nfs/dbraw/zinc/26/83/16/375268316.db2.gz FARLAZVRACKLMC-CQSZACIVSA-N 2 2 273.380 2.602 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1ccccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000264206566 383709493 /nfs/dbraw/zinc/70/94/93/383709493.db2.gz KUQPPKAOSFZEFO-HOTGVXAUSA-N 2 2 298.434 2.870 20 30 CFEDLP C[C@@H](C#N)C[NH+](C)Cc1ccccc1C[N@H+](C)C[C@@H](C)C#N ZINC000264206566 383709498 /nfs/dbraw/zinc/70/94/98/383709498.db2.gz KUQPPKAOSFZEFO-HOTGVXAUSA-N 2 2 298.434 2.870 20 30 CFEDLP CCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000131119821 377660570 /nfs/dbraw/zinc/66/05/70/377660570.db2.gz PTAMRNNJLYOOEP-UHFFFAOYSA-N 2 2 268.364 2.667 20 30 CFEDLP CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000131119821 377660574 /nfs/dbraw/zinc/66/05/74/377660574.db2.gz PTAMRNNJLYOOEP-UHFFFAOYSA-N 2 2 268.364 2.667 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151113991 378295786 /nfs/dbraw/zinc/29/57/86/378295786.db2.gz PGPOBXHRAXUGIZ-NVXWUHKLSA-N 2 2 298.430 2.804 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151113991 378295793 /nfs/dbraw/zinc/29/57/93/378295793.db2.gz PGPOBXHRAXUGIZ-NVXWUHKLSA-N 2 2 298.430 2.804 20 30 CFEDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000335918178 380104944 /nfs/dbraw/zinc/10/49/44/380104944.db2.gz CGSLVMTXOCHTGE-INIZCTEOSA-N 2 2 289.810 2.739 20 30 CFEDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000335918178 380104950 /nfs/dbraw/zinc/10/49/50/380104950.db2.gz CGSLVMTXOCHTGE-INIZCTEOSA-N 2 2 289.810 2.739 20 30 CFEDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000335918178 380104957 /nfs/dbraw/zinc/10/49/57/380104957.db2.gz CGSLVMTXOCHTGE-INIZCTEOSA-N 2 2 289.810 2.739 20 30 CFEDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000335918178 380104965 /nfs/dbraw/zinc/10/49/65/380104965.db2.gz CGSLVMTXOCHTGE-INIZCTEOSA-N 2 2 289.810 2.739 20 30 CFEDLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000335990817 380205049 /nfs/dbraw/zinc/20/50/49/380205049.db2.gz WEVNUTHCIAJISQ-UHFFFAOYSA-N 2 2 287.382 2.758 20 30 CFEDLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(F)c(C#N)c1)CC2 ZINC000335990817 380205052 /nfs/dbraw/zinc/20/50/52/380205052.db2.gz WEVNUTHCIAJISQ-UHFFFAOYSA-N 2 2 287.382 2.758 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000336121063 380269649 /nfs/dbraw/zinc/26/96/49/380269649.db2.gz UMWUSYARRSUENE-ZBFHGGJFSA-N 2 2 261.413 2.629 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2F)CC[N@@H+]1C ZINC000336615449 380552411 /nfs/dbraw/zinc/55/24/11/380552411.db2.gz MYVWUSRDIZKDIT-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2F)CC[N@H+]1C ZINC000336615449 380552414 /nfs/dbraw/zinc/55/24/14/380552414.db2.gz MYVWUSRDIZKDIT-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2F)CC[NH+]1C ZINC000336615449 380552421 /nfs/dbraw/zinc/55/24/21/380552421.db2.gz MYVWUSRDIZKDIT-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)CC[NH+]1C ZINC000336615449 380552425 /nfs/dbraw/zinc/55/24/25/380552425.db2.gz MYVWUSRDIZKDIT-IUODEOHRSA-N 2 2 275.371 2.612 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000181716589 380873342 /nfs/dbraw/zinc/87/33/42/380873342.db2.gz FOMVGPPJVLRRIG-CQSZACIVSA-N 2 2 269.392 2.859 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)s1 ZINC000367991943 380878550 /nfs/dbraw/zinc/87/85/50/380878550.db2.gz FKBWEPQECWXDJB-NXEZZACHSA-N 2 2 272.377 2.551 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)s1 ZINC000367991943 380878555 /nfs/dbraw/zinc/87/85/55/380878555.db2.gz FKBWEPQECWXDJB-NXEZZACHSA-N 2 2 272.377 2.551 20 30 CFEDLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C#N)cc1F ZINC000358564887 380931909 /nfs/dbraw/zinc/93/19/09/380931909.db2.gz XXFIOUWWMMHXCO-NWDGAFQWSA-N 2 2 263.360 2.688 20 30 CFEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358569929 380937413 /nfs/dbraw/zinc/93/74/13/380937413.db2.gz MSPQBONMESBRQY-NEPJUHHUSA-N 2 2 272.327 2.633 20 30 CFEDLP COCC1(C#N)CC[NH+](CCCc2c[nH+]ccc2C)CC1 ZINC000348284377 381478768 /nfs/dbraw/zinc/47/87/68/381478768.db2.gz IHDFUEACGTVCMH-UHFFFAOYSA-N 2 2 287.407 2.575 20 30 CFEDLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342745844 381516129 /nfs/dbraw/zinc/51/61/29/381516129.db2.gz FGFFFYANSXYZNQ-UHFFFAOYSA-N 2 2 271.408 2.715 20 30 CFEDLP COc1ccc(C)[nH+]c1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000342772127 381528982 /nfs/dbraw/zinc/52/89/82/381528982.db2.gz DFCDISJSUZIHNG-UHFFFAOYSA-N 2 2 293.330 2.530 20 30 CFEDLP CCc1ccc[nH+]c1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000342772086 381529111 /nfs/dbraw/zinc/52/91/11/381529111.db2.gz COFAJGXNRATGOO-UHFFFAOYSA-N 2 2 277.331 2.775 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000414298428 381575990 /nfs/dbraw/zinc/57/59/90/381575990.db2.gz INJAIMNWTJOHPQ-OIISXLGYSA-N 2 2 258.409 2.714 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000414298428 381576003 /nfs/dbraw/zinc/57/60/03/381576003.db2.gz INJAIMNWTJOHPQ-OIISXLGYSA-N 2 2 258.409 2.714 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[N@@H+]1C1CC1 ZINC000342808977 381556351 /nfs/dbraw/zinc/55/63/51/381556351.db2.gz SPUYMRAILHDREX-XJKSGUPXSA-N 2 2 281.403 2.762 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[N@H+]1C1CC1 ZINC000342808977 381556353 /nfs/dbraw/zinc/55/63/53/381556353.db2.gz SPUYMRAILHDREX-XJKSGUPXSA-N 2 2 281.403 2.762 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000343248639 381670000 /nfs/dbraw/zinc/67/00/00/381670000.db2.gz LPSRVDFHRCVMKR-UHFFFAOYSA-N 2 2 285.391 2.970 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000343248639 381670006 /nfs/dbraw/zinc/67/00/06/381670006.db2.gz LPSRVDFHRCVMKR-UHFFFAOYSA-N 2 2 285.391 2.970 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000371529653 381652819 /nfs/dbraw/zinc/65/28/19/381652819.db2.gz UCFMZSZITQIDPG-KYJSFNMBSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000371529653 381652820 /nfs/dbraw/zinc/65/28/20/381652820.db2.gz UCFMZSZITQIDPG-KYJSFNMBSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000371529653 381652822 /nfs/dbraw/zinc/65/28/22/381652822.db2.gz UCFMZSZITQIDPG-KYJSFNMBSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000371529653 381652824 /nfs/dbraw/zinc/65/28/24/381652824.db2.gz UCFMZSZITQIDPG-KYJSFNMBSA-N 2 2 299.418 2.503 20 30 CFEDLP N#CCc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000343600227 381830339 /nfs/dbraw/zinc/83/03/39/381830339.db2.gz FQOFTWOLEKJKEV-UHFFFAOYSA-N 2 2 280.375 2.786 20 30 CFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292848869 381863420 /nfs/dbraw/zinc/86/34/20/381863420.db2.gz BRQSPTSBQXJCIM-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292848869 381863424 /nfs/dbraw/zinc/86/34/24/381863424.db2.gz BRQSPTSBQXJCIM-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292848869 381863428 /nfs/dbraw/zinc/86/34/28/381863428.db2.gz BRQSPTSBQXJCIM-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)C1 ZINC000292848869 381863434 /nfs/dbraw/zinc/86/34/34/381863434.db2.gz BRQSPTSBQXJCIM-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000372782512 381868865 /nfs/dbraw/zinc/86/88/65/381868865.db2.gz FRIBUPHWRSPHMU-JKSUJKDBSA-N 2 2 289.423 2.593 20 30 CFEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000372782512 381868872 /nfs/dbraw/zinc/86/88/72/381868872.db2.gz FRIBUPHWRSPHMU-JKSUJKDBSA-N 2 2 289.423 2.593 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000377260671 382245306 /nfs/dbraw/zinc/24/53/06/382245306.db2.gz FGAJQTHJMNNZPK-INIZCTEOSA-N 2 2 280.375 2.671 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000377260671 382245312 /nfs/dbraw/zinc/24/53/12/382245312.db2.gz FGAJQTHJMNNZPK-INIZCTEOSA-N 2 2 280.375 2.671 20 30 CFEDLP C=C(Cl)C[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000365905395 382456497 /nfs/dbraw/zinc/45/64/97/382456497.db2.gz HNTGCSMZMONWRI-UHFFFAOYSA-N 2 2 265.788 2.735 20 30 CFEDLP C=C(Cl)C[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000365905395 382456499 /nfs/dbraw/zinc/45/64/99/382456499.db2.gz HNTGCSMZMONWRI-UHFFFAOYSA-N 2 2 265.788 2.735 20 30 CFEDLP C=CCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000352930802 382483004 /nfs/dbraw/zinc/48/30/04/382483004.db2.gz MINIDGXUZGZYRM-AEFFLSMTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000352930802 382483008 /nfs/dbraw/zinc/48/30/08/382483008.db2.gz MINIDGXUZGZYRM-AEFFLSMTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000352930802 382483017 /nfs/dbraw/zinc/48/30/17/382483017.db2.gz MINIDGXUZGZYRM-AEFFLSMTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000352930802 382483024 /nfs/dbraw/zinc/48/30/24/382483024.db2.gz MINIDGXUZGZYRM-AEFFLSMTSA-N 2 2 286.419 2.777 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000294888539 382540401 /nfs/dbraw/zinc/54/04/01/382540401.db2.gz DUOMXGYRYACEOM-LBPRGKRZSA-N 2 2 266.335 2.571 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000294888539 382540404 /nfs/dbraw/zinc/54/04/04/382540404.db2.gz DUOMXGYRYACEOM-LBPRGKRZSA-N 2 2 266.335 2.571 20 30 CFEDLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000578840539 382958624 /nfs/dbraw/zinc/95/86/24/382958624.db2.gz HWSAYGPWWFUISO-WMLDXEAASA-N 2 2 271.408 2.941 20 30 CFEDLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000578840539 382958628 /nfs/dbraw/zinc/95/86/28/382958628.db2.gz HWSAYGPWWFUISO-WMLDXEAASA-N 2 2 271.408 2.941 20 30 CFEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442876649 382962420 /nfs/dbraw/zinc/96/24/20/382962420.db2.gz VMFALHMTQHHMRS-HZPDHXFCSA-N 2 2 298.434 2.851 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCC#N)C(C)C ZINC000542465081 382968493 /nfs/dbraw/zinc/96/84/93/382968493.db2.gz SBXWUAKMEHGNAH-UHFFFAOYSA-N 2 2 283.379 2.700 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCC#N)C(C)C ZINC000542465081 382968499 /nfs/dbraw/zinc/96/84/99/382968499.db2.gz SBXWUAKMEHGNAH-UHFFFAOYSA-N 2 2 283.379 2.700 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000245974261 383055563 /nfs/dbraw/zinc/05/55/63/383055563.db2.gz WNPAMSWSGCMLIH-HLLBOEOZSA-N 2 2 280.456 2.820 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000245974261 383055566 /nfs/dbraw/zinc/05/55/66/383055566.db2.gz WNPAMSWSGCMLIH-HLLBOEOZSA-N 2 2 280.456 2.820 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccc(C#N)c1 ZINC000423396657 383081630 /nfs/dbraw/zinc/08/16/30/383081630.db2.gz UCPHDQILOSCBBP-CJNGLKHVSA-N 2 2 271.408 2.987 20 30 CFEDLP C=C(C)COCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000246609309 383087074 /nfs/dbraw/zinc/08/70/74/383087074.db2.gz URCHOIOICRUOCQ-SJLPKXTDSA-N 2 2 288.435 2.689 20 30 CFEDLP C=C(C)COCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000246609309 383087079 /nfs/dbraw/zinc/08/70/79/383087079.db2.gz URCHOIOICRUOCQ-SJLPKXTDSA-N 2 2 288.435 2.689 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC000449127452 383179948 /nfs/dbraw/zinc/17/99/48/383179948.db2.gz WSADDXHBTWCOEZ-UHFFFAOYSA-N 2 2 292.398 2.964 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccsc2C)CC1 ZINC000339241128 383186163 /nfs/dbraw/zinc/18/61/63/383186163.db2.gz CVYJCYMOSRFUIF-UHFFFAOYSA-N 2 2 250.411 2.797 20 30 CFEDLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(C#N)CC3)CC2)C1 ZINC000562391670 383158225 /nfs/dbraw/zinc/15/82/25/383158225.db2.gz PZWCEZHAEHYGPO-ZBFHGGJFSA-N 2 2 275.440 2.923 20 30 CFEDLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000519857722 383243216 /nfs/dbraw/zinc/24/32/16/383243216.db2.gz BYTUITSRGCVQHL-GDBMZVCRSA-N 2 2 275.440 2.923 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449694288 383361253 /nfs/dbraw/zinc/36/12/53/383361253.db2.gz BIWDRZSCJYFXJE-RYQLBKOJSA-N 2 2 288.435 2.739 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449694288 383361256 /nfs/dbraw/zinc/36/12/56/383361256.db2.gz BIWDRZSCJYFXJE-RYQLBKOJSA-N 2 2 288.435 2.739 20 30 CFEDLP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000570320914 383593183 /nfs/dbraw/zinc/59/31/83/383593183.db2.gz MCOHKFHNXDAECP-NSHDSACASA-N 2 2 265.788 2.862 20 30 CFEDLP C[NH+](C/C=C/C[N@@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433324642 383761629 /nfs/dbraw/zinc/76/16/29/383761629.db2.gz FFERJBFINKVZBN-BQYQJAHWSA-N 2 2 276.428 2.506 20 30 CFEDLP C[NH+](C/C=C/C[N@H+](C)CC(C)(C)C#N)CC(C)(C)C#N ZINC000433324642 383761632 /nfs/dbraw/zinc/76/16/32/383761632.db2.gz FFERJBFINKVZBN-BQYQJAHWSA-N 2 2 276.428 2.506 20 30 CFEDLP N#Cc1cccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265483006 383929513 /nfs/dbraw/zinc/92/95/13/383929513.db2.gz LFNJCURWYLSIMA-UHFFFAOYSA-N 2 2 296.374 2.540 20 30 CFEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000573677303 383970768 /nfs/dbraw/zinc/97/07/68/383970768.db2.gz WOWNPNUNGXUEHB-CQSZACIVSA-N 2 2 257.381 2.715 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(SC)o2)CC1 ZINC000641718979 384289531 /nfs/dbraw/zinc/28/95/31/384289531.db2.gz HWBSOLJHUIZRFP-UHFFFAOYSA-N 2 2 266.410 2.742 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000277404134 384291117 /nfs/dbraw/zinc/29/11/17/384291117.db2.gz ZRGCQUNZQMKUFP-MRXNPFEDSA-N 2 2 296.418 2.727 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000277404134 384291124 /nfs/dbraw/zinc/29/11/24/384291124.db2.gz ZRGCQUNZQMKUFP-MRXNPFEDSA-N 2 2 296.418 2.727 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000277404129 384291490 /nfs/dbraw/zinc/29/14/90/384291490.db2.gz ZRGCQUNZQMKUFP-INIZCTEOSA-N 2 2 296.418 2.727 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000277404129 384291491 /nfs/dbraw/zinc/29/14/91/384291491.db2.gz ZRGCQUNZQMKUFP-INIZCTEOSA-N 2 2 296.418 2.727 20 30 CFEDLP C#C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000289369323 197315339 /nfs/dbraw/zinc/31/53/39/197315339.db2.gz LFGRQJLEGRYTHE-CYBMUJFWSA-N 2 2 276.811 2.916 20 30 CFEDLP N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268267519 384586111 /nfs/dbraw/zinc/58/61/11/384586111.db2.gz BHRIABUPXJKXKV-CYBMUJFWSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268267519 384586118 /nfs/dbraw/zinc/58/61/18/384586118.db2.gz BHRIABUPXJKXKV-CYBMUJFWSA-N 2 2 284.338 2.800 20 30 CFEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(C#N)ccc1F ZINC000270675551 385185158 /nfs/dbraw/zinc/18/51/58/385185158.db2.gz XUWWUDIOCZWZPB-UHFFFAOYSA-N 2 2 275.371 2.615 20 30 CFEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C#N)ccc1F ZINC000270675551 385185168 /nfs/dbraw/zinc/18/51/68/385185168.db2.gz XUWWUDIOCZWZPB-UHFFFAOYSA-N 2 2 275.371 2.615 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000639398502 385518123 /nfs/dbraw/zinc/51/81/23/385518123.db2.gz QCFACKQDQDCWGR-GOSISDBHSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000639398502 385518127 /nfs/dbraw/zinc/51/81/27/385518127.db2.gz QCFACKQDQDCWGR-GOSISDBHSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187705539 260052460 /nfs/dbraw/zinc/05/24/60/260052460.db2.gz YLKJBGXSNUHWQV-NSHDSACASA-N 2 2 296.361 2.971 20 30 CFEDLP C=CC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000281627194 195314610 /nfs/dbraw/zinc/31/46/10/195314610.db2.gz OBHKNYHQRQSUTE-OAHLLOKOSA-N 2 2 273.424 2.990 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000428391054 285370832 /nfs/dbraw/zinc/37/08/32/285370832.db2.gz FHBLQAFXMDADNT-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000428391054 285370839 /nfs/dbraw/zinc/37/08/39/285370839.db2.gz FHBLQAFXMDADNT-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000428391054 285370842 /nfs/dbraw/zinc/37/08/42/285370842.db2.gz FHBLQAFXMDADNT-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2C#N)[C@H](C)C1 ZINC000428391054 285370845 /nfs/dbraw/zinc/37/08/45/285370845.db2.gz FHBLQAFXMDADNT-CXAGYDPISA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccccc2)[C@H](C)C1 ZINC000192110242 130374544 /nfs/dbraw/zinc/37/45/44/130374544.db2.gz OISNYENHTABGIF-AEFFLSMTSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccccc2)[C@H](C)C1 ZINC000192110242 130374545 /nfs/dbraw/zinc/37/45/45/130374545.db2.gz OISNYENHTABGIF-AEFFLSMTSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccccc2)[C@H](C)C1 ZINC000192110242 130374548 /nfs/dbraw/zinc/37/45/48/130374548.db2.gz OISNYENHTABGIF-AEFFLSMTSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)[C@H](C)C1 ZINC000192110242 130374550 /nfs/dbraw/zinc/37/45/50/130374550.db2.gz OISNYENHTABGIF-AEFFLSMTSA-N 2 2 270.420 2.700 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000289583535 394220306 /nfs/dbraw/zinc/22/03/06/394220306.db2.gz DYRKPMJUNUMYAH-ZDUSSCGKSA-N 2 2 290.407 2.702 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000368102619 394267711 /nfs/dbraw/zinc/26/77/11/394267711.db2.gz PHBNDQYGNARURL-CABCVRRESA-N 2 2 280.375 2.880 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000368102619 394267715 /nfs/dbraw/zinc/26/77/15/394267715.db2.gz PHBNDQYGNARURL-CABCVRRESA-N 2 2 280.375 2.880 20 30 CFEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449546567 394281080 /nfs/dbraw/zinc/28/10/80/394281080.db2.gz CKAXMQPPYFOPEP-CABCVRRESA-N 2 2 289.404 2.757 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000423535761 394293081 /nfs/dbraw/zinc/29/30/81/394293081.db2.gz YEQPMFACJHMMHF-MDASCCDHSA-N 2 2 291.398 2.964 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450731434 394328783 /nfs/dbraw/zinc/32/87/83/394328783.db2.gz ZYJKKMZJWYCPIK-LSDHHAIUSA-N 2 2 275.440 2.923 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450731434 394328789 /nfs/dbraw/zinc/32/87/89/394328789.db2.gz ZYJKKMZJWYCPIK-LSDHHAIUSA-N 2 2 275.440 2.923 20 30 CFEDLP C=CCCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000516762453 394370268 /nfs/dbraw/zinc/37/02/68/394370268.db2.gz AEHAWADJSMXAHQ-OAHLLOKOSA-N 2 2 287.407 2.570 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H](C)C[NH2+]C)cc1Cl ZINC000663509455 413253099 /nfs/dbraw/zinc/25/30/99/413253099.db2.gz YGTYSMXWIHRYPV-LLVKDONJSA-N 2 2 268.788 2.602 20 30 CFEDLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ccc(C#N)cc1 ZINC000348069198 154305020 /nfs/dbraw/zinc/30/50/20/154305020.db2.gz FGGBNZKMWAFVQZ-UHFFFAOYSA-N 2 2 295.386 2.863 20 30 CFEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660446730 413321970 /nfs/dbraw/zinc/32/19/70/413321970.db2.gz NGOOUMZLADJSGR-SFHVURJKSA-N 2 2 290.451 2.766 20 30 CFEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660446730 413321979 /nfs/dbraw/zinc/32/19/79/413321979.db2.gz NGOOUMZLADJSGR-SFHVURJKSA-N 2 2 290.451 2.766 20 30 CFEDLP C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000660446730 413321988 /nfs/dbraw/zinc/32/19/88/413321988.db2.gz NGOOUMZLADJSGR-SFHVURJKSA-N 2 2 290.451 2.766 20 30 CFEDLP C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C(C)C ZINC000660446730 413321994 /nfs/dbraw/zinc/32/19/94/413321994.db2.gz NGOOUMZLADJSGR-SFHVURJKSA-N 2 2 290.451 2.766 20 30 CFEDLP Cc1cccc(NC2CC[NH+](Cc3ccc(C#N)o3)CC2)[nH+]1 ZINC000367467676 156339087 /nfs/dbraw/zinc/33/90/87/156339087.db2.gz TVIMZXIFGONPRP-UHFFFAOYSA-N 2 2 296.374 2.931 20 30 CFEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C#N)cc1F)CCC2 ZINC000344506142 162057927 /nfs/dbraw/zinc/05/79/27/162057927.db2.gz AKSJCFFEOZUHTQ-HNNXBMFYSA-N 2 2 298.365 2.870 20 30 CFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000651665360 413552274 /nfs/dbraw/zinc/55/22/74/413552274.db2.gz WVOKZDBJCJOUJP-ZACQAIPSSA-N 2 2 280.456 2.678 20 30 CFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000651665360 413552282 /nfs/dbraw/zinc/55/22/82/413552282.db2.gz WVOKZDBJCJOUJP-ZACQAIPSSA-N 2 2 280.456 2.678 20 30 CFEDLP C[N@H+](Cc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285431753 196282097 /nfs/dbraw/zinc/28/20/97/196282097.db2.gz HMJANMGXVSYTJC-SJPCQFCGSA-N 2 2 269.392 2.615 20 30 CFEDLP C[N@@H+](Cc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285431753 196282099 /nfs/dbraw/zinc/28/20/99/196282099.db2.gz HMJANMGXVSYTJC-SJPCQFCGSA-N 2 2 269.392 2.615 20 30 CFEDLP C[NH+](Cc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285431753 196282101 /nfs/dbraw/zinc/28/21/01/196282101.db2.gz HMJANMGXVSYTJC-SJPCQFCGSA-N 2 2 269.392 2.615 20 30 CFEDLP C[NH+](Cc1ccccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285431753 196282102 /nfs/dbraw/zinc/28/21/02/196282102.db2.gz HMJANMGXVSYTJC-SJPCQFCGSA-N 2 2 269.392 2.615 20 30 CFEDLP CC#CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660855315 413619003 /nfs/dbraw/zinc/61/90/03/413619003.db2.gz OAENZAGDGODWHW-UHFFFAOYSA-N 2 2 267.376 2.841 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000657899299 414040443 /nfs/dbraw/zinc/04/04/43/414040443.db2.gz BIOIPSUGRRXDFP-NVXWUHKLSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CCCC1(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CCCC1 ZINC000665236915 414194331 /nfs/dbraw/zinc/19/43/31/414194331.db2.gz WKLCCCUXYCLIFS-CVEARBPZSA-N 2 2 280.456 2.870 20 30 CFEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCC#N)C1 ZINC000344331756 225030611 /nfs/dbraw/zinc/03/06/11/225030611.db2.gz BDEWDLAKVFWRLV-GDBMZVCRSA-N 2 2 257.381 2.715 20 30 CFEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCC#N)C1 ZINC000344331756 225030615 /nfs/dbraw/zinc/03/06/15/225030615.db2.gz BDEWDLAKVFWRLV-GDBMZVCRSA-N 2 2 257.381 2.715 20 30 CFEDLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OCC#N)cc1 ZINC000037249233 260078443 /nfs/dbraw/zinc/07/84/43/260078443.db2.gz AXBVPIQUFWRCMW-AWEZNQCLSA-N 2 2 284.363 2.526 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000297775986 260134243 /nfs/dbraw/zinc/13/42/43/260134243.db2.gz PKFCBNIRMUQXKE-UKRRQHHQSA-N 2 2 274.412 2.519 20 30 CFEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)c1cccc(Cl)c1 ZINC000154738209 261094767 /nfs/dbraw/zinc/09/47/67/261094767.db2.gz XIZLXYHHGKIBDL-UHFFFAOYSA-N 2 2 292.770 2.572 20 30 CFEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCC#N ZINC000118969262 262138943 /nfs/dbraw/zinc/13/89/43/262138943.db2.gz CEJFUGCCUQZFBN-UHFFFAOYSA-N 2 2 259.397 2.790 20 30 CFEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCC#N ZINC000118969262 262138946 /nfs/dbraw/zinc/13/89/46/262138946.db2.gz CEJFUGCCUQZFBN-UHFFFAOYSA-N 2 2 259.397 2.790 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CCCNC(=[NH2+])NC1CCCC1 ZINC000264144597 262879982 /nfs/dbraw/zinc/87/99/82/262879982.db2.gz XICVQJUIUYPBFX-UHFFFAOYSA-N 2 2 299.422 2.582 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCOC1(C)C)C(C)C ZINC000340175771 263082981 /nfs/dbraw/zinc/08/29/81/263082981.db2.gz PBTMEQRGXVMGRV-JKSUJKDBSA-N 2 2 280.456 2.842 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1Cl ZINC000414929467 263135824 /nfs/dbraw/zinc/13/58/24/263135824.db2.gz NXYUPAUYDLFSCL-SWLSCSKDSA-N 2 2 294.826 2.992 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000294182539 263157152 /nfs/dbraw/zinc/15/71/52/263157152.db2.gz QOAPHHGWUGBUCU-GJZGRUSLSA-N 2 2 285.391 2.926 20 30 CFEDLP N#CC[C@@H]1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000295133741 263172973 /nfs/dbraw/zinc/17/29/73/263172973.db2.gz YNNJVZBMETWLNH-STQMWFEESA-N 2 2 254.337 2.506 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]CC1=CCCOC1)C(C)C ZINC000126439056 264218191 /nfs/dbraw/zinc/21/81/91/264218191.db2.gz HFZBTXBIZRQDTG-QGZVFWFLSA-N 2 2 278.440 2.621 20 30 CFEDLP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000362727378 267039461 /nfs/dbraw/zinc/03/94/61/267039461.db2.gz RRUQNGDNKZXOPB-IRXDYDNUSA-N 2 2 280.375 2.655 20 30 CFEDLP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000362727378 267039463 /nfs/dbraw/zinc/03/94/63/267039463.db2.gz RRUQNGDNKZXOPB-IRXDYDNUSA-N 2 2 280.375 2.655 20 30 CFEDLP CC#CCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000368485664 267176874 /nfs/dbraw/zinc/17/68/74/267176874.db2.gz JLGXRZQTCPIZRT-HNNXBMFYSA-N 2 2 259.397 2.884 20 30 CFEDLP CC#CCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000368485664 267176877 /nfs/dbraw/zinc/17/68/77/267176877.db2.gz JLGXRZQTCPIZRT-HNNXBMFYSA-N 2 2 259.397 2.884 20 30 CFEDLP Cc1cc(NCCC[N@@H+](C)C2CCCCC2)c(C#N)c[nH+]1 ZINC000399529849 267300435 /nfs/dbraw/zinc/30/04/35/267300435.db2.gz RPBXYGMJOCWMQM-UHFFFAOYSA-N 2 2 286.423 2.750 20 30 CFEDLP Cc1cc(NCCC[N@H+](C)C2CCCCC2)c(C#N)c[nH+]1 ZINC000399529849 267300438 /nfs/dbraw/zinc/30/04/38/267300438.db2.gz RPBXYGMJOCWMQM-UHFFFAOYSA-N 2 2 286.423 2.750 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370263423 267305083 /nfs/dbraw/zinc/30/50/83/267305083.db2.gz XRIWTRSBZDJJPJ-UHFFFAOYSA-N 2 2 295.386 2.521 20 30 CFEDLP N#CCCCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000370644784 267333658 /nfs/dbraw/zinc/33/36/58/267333658.db2.gz GWZHDGLGERGOPN-UHFFFAOYSA-N 2 2 277.437 2.996 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC000192056137 270229283 /nfs/dbraw/zinc/22/92/83/270229283.db2.gz DVNAYZVEILQWCF-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC000192056137 270229284 /nfs/dbraw/zinc/22/92/84/270229284.db2.gz DVNAYZVEILQWCF-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)CC[NH+]1C ZINC000192056137 270229287 /nfs/dbraw/zinc/22/92/87/270229287.db2.gz DVNAYZVEILQWCF-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)CC[NH+]1C ZINC000192056137 270229289 /nfs/dbraw/zinc/22/92/89/270229289.db2.gz DVNAYZVEILQWCF-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[N@@H+]1CC[C@@]2(CC[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000292195908 277160609 /nfs/dbraw/zinc/16/06/09/277160609.db2.gz RVCBOAHAPAJHHV-QGZVFWFLSA-N 2 2 288.822 2.719 20 30 CFEDLP C[N@H+]1CC[C@@]2(CC[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000292195908 277160610 /nfs/dbraw/zinc/16/06/10/277160610.db2.gz RVCBOAHAPAJHHV-QGZVFWFLSA-N 2 2 288.822 2.719 20 30 CFEDLP C[NH+]1CC[C@@]2(CC[N@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000292195908 277160611 /nfs/dbraw/zinc/16/06/11/277160611.db2.gz RVCBOAHAPAJHHV-QGZVFWFLSA-N 2 2 288.822 2.719 20 30 CFEDLP C[NH+]1CC[C@@]2(CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000292195908 277160613 /nfs/dbraw/zinc/16/06/13/277160613.db2.gz RVCBOAHAPAJHHV-QGZVFWFLSA-N 2 2 288.822 2.719 20 30 CFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000181415079 278335832 /nfs/dbraw/zinc/33/58/32/278335832.db2.gz ZYURPDRUKAMSIB-CQSZACIVSA-N 2 2 283.419 2.911 20 30 CFEDLP C=CCCC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000117871613 327933583 /nfs/dbraw/zinc/93/35/83/327933583.db2.gz NWUHVNVWMRNNAL-UHFFFAOYSA-N 2 2 288.439 2.997 20 30 CFEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267391368 328177706 /nfs/dbraw/zinc/17/77/06/328177706.db2.gz DERUADAZWSAITG-ZDUSSCGKSA-N 2 2 260.385 2.919 20 30 CFEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267391368 328177708 /nfs/dbraw/zinc/17/77/08/328177708.db2.gz DERUADAZWSAITG-ZDUSSCGKSA-N 2 2 260.385 2.919 20 30 CFEDLP [NH2+]=C(NCCCn1cc[nH+]c1)Nc1cccc2c1CCCC2 ZINC000267338744 328177379 /nfs/dbraw/zinc/17/73/79/328177379.db2.gz SNQRVZGUTXXLKS-UHFFFAOYSA-N 2 2 297.406 2.579 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363414226 327089569 /nfs/dbraw/zinc/08/95/69/327089569.db2.gz LIHVTEPLGYQFHB-CQSZACIVSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000363414226 327089572 /nfs/dbraw/zinc/08/95/72/327089572.db2.gz LIHVTEPLGYQFHB-CQSZACIVSA-N 2 2 263.429 2.923 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CNCc1c[nH+]c(C)n1C)C(C)C ZINC000584362286 329103324 /nfs/dbraw/zinc/10/33/24/329103324.db2.gz TVFDLWUMLKKVCU-KRWDZBQOSA-N 2 2 290.455 2.517 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000185711997 329330560 /nfs/dbraw/zinc/33/05/60/329330560.db2.gz YFJGZUPXBMKWES-GDBMZVCRSA-N 2 2 284.407 2.722 20 30 CFEDLP C=CCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1 ZINC000067500901 329850820 /nfs/dbraw/zinc/85/08/20/329850820.db2.gz GIMQWZZNLZRAGI-HNNXBMFYSA-N 2 2 285.391 2.874 20 30 CFEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248735823 329898287 /nfs/dbraw/zinc/89/82/87/329898287.db2.gz DPDOYQUWPUCASG-KURKYZTESA-N 2 2 285.435 2.831 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000379646250 330145082 /nfs/dbraw/zinc/14/50/82/330145082.db2.gz FBDAUBZLQIKOQH-GDBMZVCRSA-N 2 2 257.381 2.543 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000379646250 330145084 /nfs/dbraw/zinc/14/50/84/330145084.db2.gz FBDAUBZLQIKOQH-GDBMZVCRSA-N 2 2 257.381 2.543 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000422837701 330157206 /nfs/dbraw/zinc/15/72/06/330157206.db2.gz VEEVWOPJODVXGQ-OKZBNKHCSA-N 3 2 293.499 2.792 20 30 CFEDLP C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422997345 330163465 /nfs/dbraw/zinc/16/34/65/330163465.db2.gz NQLGJMDOTROCDK-CWRNSKLLSA-N 2 2 257.381 2.762 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccco1 ZINC000423418976 330197770 /nfs/dbraw/zinc/19/77/70/330197770.db2.gz VKZAGFPYICQQSO-GOEBONIOSA-N 2 2 278.396 2.645 20 30 CFEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423505305 330208837 /nfs/dbraw/zinc/20/88/37/330208837.db2.gz OJXHLJZHAZYEOW-JLJPHGGASA-N 2 2 271.408 2.921 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527948905 330294374 /nfs/dbraw/zinc/29/43/74/330294374.db2.gz MQOICRVJHHXMJO-YCPHGPKFSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527948905 330294375 /nfs/dbraw/zinc/29/43/75/330294375.db2.gz MQOICRVJHHXMJO-YCPHGPKFSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000442720896 330780552 /nfs/dbraw/zinc/78/05/52/330780552.db2.gz SFMHEKJJLSTEOY-CABCVRRESA-N 2 2 293.480 2.630 20 30 CFEDLP C#C[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000491523089 332228807 /nfs/dbraw/zinc/22/88/07/332228807.db2.gz BKKOKBFJYOIMQQ-CQSZACIVSA-N 2 2 253.349 2.634 20 30 CFEDLP C#C[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000491523089 332228808 /nfs/dbraw/zinc/22/88/08/332228808.db2.gz BKKOKBFJYOIMQQ-CQSZACIVSA-N 2 2 253.349 2.634 20 30 CFEDLP C#CC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000491752849 332328586 /nfs/dbraw/zinc/32/85/86/332328586.db2.gz ZOPUANCWHGVXQE-UHFFFAOYSA-N 2 2 253.349 2.636 20 30 CFEDLP C#CC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000491752849 332328587 /nfs/dbraw/zinc/32/85/87/332328587.db2.gz ZOPUANCWHGVXQE-UHFFFAOYSA-N 2 2 253.349 2.636 20 30 CFEDLP C=CCOc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)cc1 ZINC000575430716 335103646 /nfs/dbraw/zinc/10/36/46/335103646.db2.gz HVHRWVKPQSCZTK-UHFFFAOYSA-N 2 2 271.364 2.583 20 30 CFEDLP C#C[C@H](CC)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000229876103 333310428 /nfs/dbraw/zinc/31/04/28/333310428.db2.gz RTGMMZMVWGJLQP-CQSZACIVSA-N 2 2 253.349 2.682 20 30 CFEDLP CC(C)(CCC#N)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529663927 333504669 /nfs/dbraw/zinc/50/46/69/333504669.db2.gz NHIIFZDVCVVRTB-UHFFFAOYSA-N 2 2 293.455 2.503 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000248875422 334320359 /nfs/dbraw/zinc/32/03/59/334320359.db2.gz JESBVCIUOUJGLN-IKGGRYGDSA-N 2 2 275.440 2.923 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000248875422 334320361 /nfs/dbraw/zinc/32/03/61/334320361.db2.gz JESBVCIUOUJGLN-IKGGRYGDSA-N 2 2 275.440 2.923 20 30 CFEDLP N#Cc1ccc2cc[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)c2c1 ZINC001154984020 782135942 /nfs/dbraw/zinc/13/59/42/782135942.db2.gz DAZGGMPUVREUDT-KGLIPLIRSA-N 2 2 266.348 2.788 20 30 CFEDLP N#Cc1ccc2cc[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)c2c1 ZINC001154984023 782136638 /nfs/dbraw/zinc/13/66/38/782136638.db2.gz DAZGGMPUVREUDT-ZIAGYGMSSA-N 2 2 266.348 2.788 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192048070 520740915 /nfs/dbraw/zinc/74/09/15/520740915.db2.gz QUOIGNDBRXNGQD-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192048070 520740908 /nfs/dbraw/zinc/74/09/08/520740908.db2.gz QUOIGNDBRXNGQD-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000340844743 521714313 /nfs/dbraw/zinc/71/43/13/521714313.db2.gz YWZZMMFXFTUQTA-XJKSGUPXSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000340844743 521714315 /nfs/dbraw/zinc/71/43/15/521714315.db2.gz YWZZMMFXFTUQTA-XJKSGUPXSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000340844743 521714316 /nfs/dbraw/zinc/71/43/16/521714316.db2.gz YWZZMMFXFTUQTA-XJKSGUPXSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000340844743 521714318 /nfs/dbraw/zinc/71/43/18/521714318.db2.gz YWZZMMFXFTUQTA-XJKSGUPXSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000245419106 521719768 /nfs/dbraw/zinc/71/97/68/521719768.db2.gz GWZDQQHRANFJGX-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000245419106 521719769 /nfs/dbraw/zinc/71/97/69/521719769.db2.gz GWZDQQHRANFJGX-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000245419106 521719770 /nfs/dbraw/zinc/71/97/70/521719770.db2.gz GWZDQQHRANFJGX-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000245419106 521719771 /nfs/dbraw/zinc/71/97/71/521719771.db2.gz GWZDQQHRANFJGX-GUYCJALGSA-N 2 2 289.398 2.859 20 30 CFEDLP C[N@H+](CC[NH2+]Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000067221961 522866211 /nfs/dbraw/zinc/86/62/11/522866211.db2.gz CYCJCZSISDXHHK-UHFFFAOYSA-N 2 2 279.387 2.780 20 30 CFEDLP C[N@@H+](CC[NH2+]Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000067221961 522866224 /nfs/dbraw/zinc/86/62/24/522866224.db2.gz CYCJCZSISDXHHK-UHFFFAOYSA-N 2 2 279.387 2.780 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000159021716 524294170 /nfs/dbraw/zinc/29/41/70/524294170.db2.gz SEARHSNNXTWJJL-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000159021716 524294174 /nfs/dbraw/zinc/29/41/74/524294174.db2.gz SEARHSNNXTWJJL-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccc(C#N)cc1 ZINC000414126708 529170142 /nfs/dbraw/zinc/17/01/42/529170142.db2.gz OUAOGICCMMUOAJ-MRXNPFEDSA-N 2 2 268.364 2.575 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000090408633 545501409 /nfs/dbraw/zinc/50/14/09/545501409.db2.gz HYKTVXADFTVBHD-LLVKDONJSA-N 2 2 265.426 2.753 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc3ccccc3c2)CC1 ZINC000730019175 574242097 /nfs/dbraw/zinc/24/20/97/574242097.db2.gz GXOHVLITWOVPNL-UHFFFAOYSA-N 2 2 281.403 2.975 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC000892395593 618224073 /nfs/dbraw/zinc/22/40/73/618224073.db2.gz FNUMDODAABHCGZ-UHFFFAOYSA-N 2 2 299.422 2.973 20 30 CFEDLP N#C[C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895112786 618315266 /nfs/dbraw/zinc/31/52/66/618315266.db2.gz RXUPRIAYTNCOBZ-VGWMRTNUSA-N 2 2 284.407 2.850 20 30 CFEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC000892648906 618673071 /nfs/dbraw/zinc/67/30/71/618673071.db2.gz GSDHMOMJDRLBCK-QGZVFWFLSA-N 2 2 281.403 2.939 20 30 CFEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926841194 618735810 /nfs/dbraw/zinc/73/58/10/618735810.db2.gz XNLMXJOCOVSMQM-QBPKDAKJSA-N 2 2 260.425 2.785 20 30 CFEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926841194 618735812 /nfs/dbraw/zinc/73/58/12/618735812.db2.gz XNLMXJOCOVSMQM-QBPKDAKJSA-N 2 2 260.425 2.785 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236835793 619144677 /nfs/dbraw/zinc/14/46/77/619144677.db2.gz SOAWLLJVXYLMFP-GOEBONIOSA-N 2 2 287.407 2.551 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236835793 619144678 /nfs/dbraw/zinc/14/46/78/619144678.db2.gz SOAWLLJVXYLMFP-GOEBONIOSA-N 2 2 287.407 2.551 20 30 CFEDLP CC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000925838178 619169932 /nfs/dbraw/zinc/16/99/32/619169932.db2.gz KEJJXXFAIUJULZ-SJORKVTESA-N 2 2 271.408 2.877 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000894863627 619489392 /nfs/dbraw/zinc/48/93/92/619489392.db2.gz OEKADYFMNHSDFB-UHFFFAOYSA-N 2 2 282.387 2.590 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000894863627 619489394 /nfs/dbraw/zinc/48/93/94/619489394.db2.gz OEKADYFMNHSDFB-UHFFFAOYSA-N 2 2 282.387 2.590 20 30 CFEDLP C[C@@H](CCC#N)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896195616 619691728 /nfs/dbraw/zinc/69/17/28/619691728.db2.gz MURVDBRECRLNHR-AWEZNQCLSA-N 2 2 272.396 2.898 20 30 CFEDLP Cc1cc(C[NH+]2CCC([NH2+]C3CCC3)CC2)ccc1C#N ZINC000897981003 620317769 /nfs/dbraw/zinc/31/77/69/620317769.db2.gz HZYYSZPTXFVCNB-UHFFFAOYSA-N 2 2 283.419 2.973 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000926900670 620416714 /nfs/dbraw/zinc/41/67/14/620416714.db2.gz ONIBCJVNDDGXQL-HOCLYGCPSA-N 2 2 288.439 2.992 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)ccc2NC)CC1 ZINC000902214964 620998515 /nfs/dbraw/zinc/99/85/15/620998515.db2.gz YBLYABZSNRLTOG-UHFFFAOYSA-N 2 2 273.424 2.777 20 30 CFEDLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000902449232 621090773 /nfs/dbraw/zinc/09/07/73/621090773.db2.gz NCFOVTBWGCWIJS-CVEARBPZSA-N 2 2 269.392 2.523 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902468208 621100079 /nfs/dbraw/zinc/10/00/79/621100079.db2.gz MZOFAUCKSCJREV-DZOHQFGASA-N 2 2 281.403 2.808 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@]1(C)CCCCO1 ZINC000902724973 621158349 /nfs/dbraw/zinc/15/83/49/621158349.db2.gz NBDVRTYVKKYNEX-HZPDHXFCSA-N 2 2 277.412 2.767 20 30 CFEDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(C#N)ccn1 ZINC000902788750 621176782 /nfs/dbraw/zinc/17/67/82/621176782.db2.gz CHGNWMNHZWOTRW-CQSZACIVSA-N 2 2 295.390 2.891 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@@]1(C)CCCCO1 ZINC000902793928 621178425 /nfs/dbraw/zinc/17/84/25/621178425.db2.gz OWLSZLZMQRBLTM-OWCLPIDISA-N 2 2 268.445 2.820 20 30 CFEDLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902830245 621183638 /nfs/dbraw/zinc/18/36/38/621183638.db2.gz MIHAICKLPXBUDW-PBHICJAKSA-N 2 2 271.408 2.941 20 30 CFEDLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902830245 621183640 /nfs/dbraw/zinc/18/36/40/621183640.db2.gz MIHAICKLPXBUDW-PBHICJAKSA-N 2 2 271.408 2.941 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000903424838 621379657 /nfs/dbraw/zinc/37/96/57/621379657.db2.gz IOBOREFVCVMEGC-SJCJKPOMSA-N 2 2 271.408 2.734 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000903424838 621379660 /nfs/dbraw/zinc/37/96/60/621379660.db2.gz IOBOREFVCVMEGC-SJCJKPOMSA-N 2 2 271.408 2.734 20 30 CFEDLP CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1[NH3+] ZINC000903450047 621386440 /nfs/dbraw/zinc/38/64/40/621386440.db2.gz LDVFQPHXYMQBKF-UKRRQHHQSA-N 2 2 277.799 2.771 20 30 CFEDLP CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1[NH3+] ZINC000903450047 621386442 /nfs/dbraw/zinc/38/64/42/621386442.db2.gz LDVFQPHXYMQBKF-UKRRQHHQSA-N 2 2 277.799 2.771 20 30 CFEDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903454928 621388319 /nfs/dbraw/zinc/38/83/19/621388319.db2.gz OAKORVGMTYRCJS-ZETOZRRWSA-N 2 2 277.799 2.688 20 30 CFEDLP N#CC1(CCCC[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)CCC1 ZINC000903780327 621440928 /nfs/dbraw/zinc/44/09/28/621440928.db2.gz FTEMKMLANFIRRC-LSDHHAIUSA-N 2 2 261.413 2.677 20 30 CFEDLP N#CC1(CCCC[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)CCC1 ZINC000903780327 621440931 /nfs/dbraw/zinc/44/09/31/621440931.db2.gz FTEMKMLANFIRRC-LSDHHAIUSA-N 2 2 261.413 2.677 20 30 CFEDLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903782260 621440995 /nfs/dbraw/zinc/44/09/95/621440995.db2.gz IOQAAQWVYGVTED-OAHLLOKOSA-N 2 2 263.429 2.924 20 30 CFEDLP C[NH2+]C[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903782260 621440998 /nfs/dbraw/zinc/44/09/98/621440998.db2.gz IOQAAQWVYGVTED-OAHLLOKOSA-N 2 2 263.429 2.924 20 30 CFEDLP CCC[NH+]1CCC([NH2+]Cc2csc(C#N)c2)CC1 ZINC000921502719 625785487 /nfs/dbraw/zinc/78/54/87/625785487.db2.gz VRGPNIAOXLWMTQ-UHFFFAOYSA-N 2 2 263.410 2.584 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921703088 626095007 /nfs/dbraw/zinc/09/50/07/626095007.db2.gz QKXARNAVVWKMQY-UHFFFAOYSA-N 2 2 286.419 2.752 20 30 CFEDLP C#CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000796632585 629943049 /nfs/dbraw/zinc/94/30/49/629943049.db2.gz MSCKWXKPPDFXLC-KRWDZBQOSA-N 2 2 256.393 2.606 20 30 CFEDLP C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000796632585 629943051 /nfs/dbraw/zinc/94/30/51/629943051.db2.gz MSCKWXKPPDFXLC-KRWDZBQOSA-N 2 2 256.393 2.606 20 30 CFEDLP C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000796632585 629943053 /nfs/dbraw/zinc/94/30/53/629943053.db2.gz MSCKWXKPPDFXLC-KRWDZBQOSA-N 2 2 256.393 2.606 20 30 CFEDLP C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000796632585 629943056 /nfs/dbraw/zinc/94/30/56/629943056.db2.gz MSCKWXKPPDFXLC-KRWDZBQOSA-N 2 2 256.393 2.606 20 30 CFEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C#N)CC3)CC2)cc1 ZINC000797605331 630088996 /nfs/dbraw/zinc/08/89/96/630088996.db2.gz NJLCLYQIHFPGJM-UHFFFAOYSA-N 2 2 298.434 2.615 20 30 CFEDLP C#Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575303 633294375 /nfs/dbraw/zinc/29/43/75/633294375.db2.gz OAMMUXQWFJJDDP-QZTJIDSGSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575303 633294377 /nfs/dbraw/zinc/29/43/77/633294377.db2.gz OAMMUXQWFJJDDP-QZTJIDSGSA-N 2 2 268.404 2.774 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000850471395 634007149 /nfs/dbraw/zinc/00/71/49/634007149.db2.gz PTVNRBDBZVFSGR-LBPRGKRZSA-N 2 2 281.350 2.625 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000850471395 634007153 /nfs/dbraw/zinc/00/71/53/634007153.db2.gz PTVNRBDBZVFSGR-LBPRGKRZSA-N 2 2 281.350 2.625 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000850553713 634051138 /nfs/dbraw/zinc/05/11/38/634051138.db2.gz BHRMGOGVGYPYNE-RDJZCZTQSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CCC)C2)cc1 ZINC000850553713 634051144 /nfs/dbraw/zinc/05/11/44/634051144.db2.gz BHRMGOGVGYPYNE-RDJZCZTQSA-N 2 2 286.419 2.834 20 30 CFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2(C)CCC2)cc1 ZINC000853673926 635069940 /nfs/dbraw/zinc/06/99/40/635069940.db2.gz MKYCUXJPLLQBGG-UHFFFAOYSA-N 2 2 275.396 2.575 20 30 CFEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000113313862 635532102 /nfs/dbraw/zinc/53/21/02/635532102.db2.gz IVFCNXUEKNBGTM-KRWDZBQOSA-N 2 2 286.419 2.663 20 30 CFEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000113313862 635532106 /nfs/dbraw/zinc/53/21/06/635532106.db2.gz IVFCNXUEKNBGTM-KRWDZBQOSA-N 2 2 286.419 2.663 20 30 CFEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000866239192 638777342 /nfs/dbraw/zinc/77/73/42/638777342.db2.gz ROAHODXIMHBXFE-UONOGXRCSA-N 2 2 287.407 2.646 20 30 CFEDLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866238371 638777393 /nfs/dbraw/zinc/77/73/93/638777393.db2.gz MJUYZVBPSMLAAW-LBPRGKRZSA-N 2 2 284.363 2.510 20 30 CFEDLP N#CCCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568935 644769022 /nfs/dbraw/zinc/76/90/22/644769022.db2.gz HLWYLQNMKWGNOG-MRXNPFEDSA-N 2 2 268.364 2.908 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)[C@H]1CCCO1 ZINC000883165523 645634255 /nfs/dbraw/zinc/63/42/55/645634255.db2.gz GVCBAKNKYFBLNX-OWCLPIDISA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)[C@H]1CCCO1 ZINC000883165523 645634259 /nfs/dbraw/zinc/63/42/59/645634259.db2.gz GVCBAKNKYFBLNX-OWCLPIDISA-N 2 2 266.429 2.574 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886524007 647028270 /nfs/dbraw/zinc/02/82/70/647028270.db2.gz AMRJPOFMZCIOAY-MRXNPFEDSA-N 2 2 271.408 2.699 20 30 CFEDLP C=CCC1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000886768710 647131039 /nfs/dbraw/zinc/13/10/39/647131039.db2.gz GSGVAUNPMVIEEZ-UHFFFAOYSA-N 2 2 297.402 2.775 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1O ZINC000924695911 648029454 /nfs/dbraw/zinc/02/94/54/648029454.db2.gz NQMIDBJXOBHFNG-INMHGKMJSA-N 2 2 299.418 2.931 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1O ZINC000924695911 648029459 /nfs/dbraw/zinc/02/94/59/648029459.db2.gz NQMIDBJXOBHFNG-INMHGKMJSA-N 2 2 299.418 2.931 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000925620032 648243010 /nfs/dbraw/zinc/24/30/10/648243010.db2.gz SLSWKUJCUUJNOL-ZBFHGGJFSA-N 2 2 287.407 2.598 20 30 CFEDLP CC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(C#N)c1O ZINC000926473729 648500814 /nfs/dbraw/zinc/50/08/14/648500814.db2.gz NISTZGHYCRKQMP-DOMZBBRYSA-N 2 2 275.396 2.502 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000926488937 648506699 /nfs/dbraw/zinc/50/66/99/648506699.db2.gz CORHYUXLADVZSI-OAHLLOKOSA-N 2 2 297.402 2.947 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC000926488937 648506702 /nfs/dbraw/zinc/50/67/02/648506702.db2.gz CORHYUXLADVZSI-OAHLLOKOSA-N 2 2 297.402 2.947 20 30 CFEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000926812383 648625373 /nfs/dbraw/zinc/62/53/73/648625373.db2.gz MMSMKDIUYOTUST-QRVBRYPASA-N 2 2 295.430 2.632 20 30 CFEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000926812383 648625379 /nfs/dbraw/zinc/62/53/79/648625379.db2.gz MMSMKDIUYOTUST-QRVBRYPASA-N 2 2 295.430 2.632 20 30 CFEDLP C[NH+](C)C1(C)CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000931351832 649413972 /nfs/dbraw/zinc/41/39/72/649413972.db2.gz URTNDYDMWVVBKA-UHFFFAOYSA-N 2 2 287.407 2.505 20 30 CFEDLP C=CCn1ccc2c1nc[nH+]c2NCc1ccc(N)[nH+]c1C ZINC001167784880 776369697 /nfs/dbraw/zinc/36/96/97/776369697.db2.gz FBWHKJJWTNIQEW-UHFFFAOYSA-N 2 2 294.362 2.515 20 30 CFEDLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(C#N)n1 ZINC001232925691 777721277 /nfs/dbraw/zinc/72/12/77/777721277.db2.gz KVKIIHKTYZJYGU-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cccc(C#N)n1 ZINC001232925691 777721283 /nfs/dbraw/zinc/72/12/83/777721283.db2.gz KVKIIHKTYZJYGU-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001232925691 777721289 /nfs/dbraw/zinc/72/12/89/777721289.db2.gz KVKIIHKTYZJYGU-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC001232925691 777721293 /nfs/dbraw/zinc/72/12/93/777721293.db2.gz KVKIIHKTYZJYGU-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP N#Cc1cccc(CCC[N@@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235120411 778390610 /nfs/dbraw/zinc/39/06/10/778390610.db2.gz AVAXJMGHIYQCSZ-GOSISDBHSA-N 2 2 283.419 2.709 20 30 CFEDLP N#Cc1cccc(CCC[N@H+]2CCCC[C@]23CC[NH2+]C3)c1 ZINC001235120411 778390618 /nfs/dbraw/zinc/39/06/18/778390618.db2.gz AVAXJMGHIYQCSZ-GOSISDBHSA-N 2 2 283.419 2.709 20 30 CFEDLP N#CCC[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001277938916 778464721 /nfs/dbraw/zinc/46/47/21/778464721.db2.gz IDICZGAFRFUFBZ-JKSUJKDBSA-N 2 2 261.413 2.867 20 30 CFEDLP N#CCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277943590 778483922 /nfs/dbraw/zinc/48/39/22/778483922.db2.gz ZTDKUTWQQKWJJO-KRWDZBQOSA-N 2 2 286.423 2.606 20 30 CFEDLP N#CCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277943590 778483927 /nfs/dbraw/zinc/48/39/27/778483927.db2.gz ZTDKUTWQQKWJJO-KRWDZBQOSA-N 2 2 286.423 2.606 20 30 CFEDLP N#CCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277943590 778483930 /nfs/dbraw/zinc/48/39/30/778483930.db2.gz ZTDKUTWQQKWJJO-KRWDZBQOSA-N 2 2 286.423 2.606 20 30 CFEDLP N#CCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277943590 778483933 /nfs/dbraw/zinc/48/39/33/778483933.db2.gz ZTDKUTWQQKWJJO-KRWDZBQOSA-N 2 2 286.423 2.606 20 30 CFEDLP C=CCCCCCCCC[N@H+]1C[C@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235778279 778557282 /nfs/dbraw/zinc/55/72/82/778557282.db2.gz WMLAYWGRPCWUIA-JKSUJKDBSA-N 2 2 296.455 2.725 20 30 CFEDLP C=CCCCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235778279 778557285 /nfs/dbraw/zinc/55/72/85/778557285.db2.gz WMLAYWGRPCWUIA-JKSUJKDBSA-N 2 2 296.455 2.725 20 30 CFEDLP N#Cc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1F ZINC001235895602 778595737 /nfs/dbraw/zinc/59/57/37/778595737.db2.gz OFTWJZIDWVDAIE-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1F ZINC001235895602 778595739 /nfs/dbraw/zinc/59/57/39/778595739.db2.gz OFTWJZIDWVDAIE-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(Cl)c1 ZINC001205124021 779270600 /nfs/dbraw/zinc/27/06/00/779270600.db2.gz IWYMZEPWQJWHSS-ZDUSSCGKSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(Cl)c1 ZINC001205124021 779270603 /nfs/dbraw/zinc/27/06/03/779270603.db2.gz IWYMZEPWQJWHSS-ZDUSSCGKSA-N 2 2 263.772 2.525 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236419817 779563817 /nfs/dbraw/zinc/56/38/17/779563817.db2.gz KLQXDMLONIRQPE-CZUORRHYSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236419817 779563824 /nfs/dbraw/zinc/56/38/24/779563824.db2.gz KLQXDMLONIRQPE-CZUORRHYSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236419818 779563989 /nfs/dbraw/zinc/56/39/89/779563989.db2.gz KLQXDMLONIRQPE-XJKSGUPXSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236419818 779563997 /nfs/dbraw/zinc/56/39/97/779563997.db2.gz KLQXDMLONIRQPE-XJKSGUPXSA-N 2 2 260.381 2.563 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000703374141 781011480 /nfs/dbraw/zinc/01/14/80/781011480.db2.gz HEJZDODYTOIWER-UHFFFAOYSA-N 2 2 290.354 2.812 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000703374141 781011487 /nfs/dbraw/zinc/01/14/87/781011487.db2.gz HEJZDODYTOIWER-UHFFFAOYSA-N 2 2 290.354 2.812 20 30 CFEDLP N#Cc1cc(F)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242584797 781617731 /nfs/dbraw/zinc/61/77/31/781617731.db2.gz TZXCVVJBNSCHOY-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242584797 781617738 /nfs/dbraw/zinc/61/77/38/781617738.db2.gz TZXCVVJBNSCHOY-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP Cc1[nH+]cc(C[NH2+][C@H](CCC#N)c2ccccc2)n1C ZINC000594960816 349530097 /nfs/dbraw/zinc/53/00/97/349530097.db2.gz XLDFUAGWWVLOSQ-MRXNPFEDSA-N 2 2 268.364 2.863 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)[C@H](C)C1 ZINC000595091031 349578437 /nfs/dbraw/zinc/57/84/37/349578437.db2.gz MATZWJAXFGKTPO-CABCVRRESA-N 2 2 263.429 2.780 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH2+]CC2(C#N)CCCCC2)[C@H](C)C1 ZINC000595091031 349578441 /nfs/dbraw/zinc/57/84/41/349578441.db2.gz MATZWJAXFGKTPO-CABCVRRESA-N 2 2 263.429 2.780 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(C)c2F)CC1 ZINC000294976703 199280083 /nfs/dbraw/zinc/28/00/83/199280083.db2.gz GTEFMQHOSSEVRN-UHFFFAOYSA-N 2 2 262.372 2.874 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000295037859 199313987 /nfs/dbraw/zinc/31/39/87/199313987.db2.gz PFBHNTAMKHXFQM-CYBMUJFWSA-N 2 2 279.453 2.872 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000295037859 199313989 /nfs/dbraw/zinc/31/39/89/199313989.db2.gz PFBHNTAMKHXFQM-CYBMUJFWSA-N 2 2 279.453 2.872 20 30 CFEDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000045106358 346403683 /nfs/dbraw/zinc/40/36/83/346403683.db2.gz SSUFDRSSGZIPNB-AWEZNQCLSA-N 2 2 268.364 2.886 20 30 CFEDLP [NH2+]=C(NCCc1cn2ccccc2[nH+]1)NC1CCCCCC1 ZINC000092277073 347615253 /nfs/dbraw/zinc/61/52/53/347615253.db2.gz YUWSMEQKVLZFGH-UHFFFAOYSA-N 2 2 299.422 2.504 20 30 CFEDLP N#Cc1csc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866234 347686531 /nfs/dbraw/zinc/68/65/31/347686531.db2.gz WLFGMYPMDBSLFT-AWEZNQCLSA-N 2 2 285.372 2.668 20 30 CFEDLP N#Cc1csc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000093866234 347686533 /nfs/dbraw/zinc/68/65/33/347686533.db2.gz WLFGMYPMDBSLFT-AWEZNQCLSA-N 2 2 285.372 2.668 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(C)[nH+]cn1)C(C)C ZINC000110127726 347747578 /nfs/dbraw/zinc/74/75/78/347747578.db2.gz LVZCEYCYRIIBAX-OAHLLOKOSA-N 2 2 274.412 2.896 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000297775991 348365736 /nfs/dbraw/zinc/36/57/36/348365736.db2.gz PKFCBNIRMUQXKE-ZFWWWQNUSA-N 2 2 274.412 2.519 20 30 CFEDLP C[NH+](C)C1(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000591348715 349010680 /nfs/dbraw/zinc/01/06/80/349010680.db2.gz NORRPAQENSXDBG-INIZCTEOSA-N 2 2 269.392 2.619 20 30 CFEDLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000599330211 350415612 /nfs/dbraw/zinc/41/56/12/350415612.db2.gz VTSGLJCLBSYYFR-HNNXBMFYSA-N 2 2 280.375 2.969 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000600708623 350599222 /nfs/dbraw/zinc/59/92/22/350599222.db2.gz DMTCLFKKMKFDIO-ZWKOTPCHSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000600708623 350599224 /nfs/dbraw/zinc/59/92/24/350599224.db2.gz DMTCLFKKMKFDIO-ZWKOTPCHSA-N 2 2 283.419 2.973 20 30 CFEDLP N#Cc1c(F)cccc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000602007176 350828742 /nfs/dbraw/zinc/82/87/42/350828742.db2.gz NTTJLBFUZCAZDT-UHFFFAOYSA-N 2 2 287.382 2.804 20 30 CFEDLP N#Cc1c(F)cccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000602006305 350828746 /nfs/dbraw/zinc/82/87/46/350828746.db2.gz STVXCCFXIUZZTI-UHFFFAOYSA-N 2 2 287.382 2.661 20 30 CFEDLP C[C@@H](C[NH2+]Cc1cccc(F)c1C#N)C[NH+]1CCCCC1 ZINC000602007838 350828805 /nfs/dbraw/zinc/82/88/05/350828805.db2.gz ZQBOASFRHTZDDP-AWEZNQCLSA-N 2 2 289.398 2.909 20 30 CFEDLP C[N@H+](CCC[NH2+]Cc1cccc(C#N)n1)Cc1ccccc1 ZINC000602510899 350910272 /nfs/dbraw/zinc/91/02/72/350910272.db2.gz GWFWBWJXELTBJH-UHFFFAOYSA-N 2 2 294.402 2.565 20 30 CFEDLP C[N@@H+](CCC[NH2+]Cc1cccc(C#N)n1)Cc1ccccc1 ZINC000602510899 350910275 /nfs/dbraw/zinc/91/02/75/350910275.db2.gz GWFWBWJXELTBJH-UHFFFAOYSA-N 2 2 294.402 2.565 20 30 CFEDLP CC(C)C[C@@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)[NH+](C)C ZINC000602510694 350910565 /nfs/dbraw/zinc/91/05/65/350910565.db2.gz LYZKWKIAMZGYSU-CVEARBPZSA-N 2 2 295.471 2.651 20 30 CFEDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(F)c2C#N)C1 ZINC000602666735 350967701 /nfs/dbraw/zinc/96/77/01/350967701.db2.gz OOFALHFTTKTZIA-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(F)c2C#N)C1 ZINC000602666735 350967707 /nfs/dbraw/zinc/96/77/07/350967707.db2.gz OOFALHFTTKTZIA-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cccc(F)c2C#N)C1 ZINC000602666735 350967713 /nfs/dbraw/zinc/96/77/13/350967713.db2.gz OOFALHFTTKTZIA-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cccc(F)c2C#N)C1 ZINC000602666735 350967719 /nfs/dbraw/zinc/96/77/19/350967719.db2.gz OOFALHFTTKTZIA-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP N#CCC1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000602798568 351028988 /nfs/dbraw/zinc/02/89/88/351028988.db2.gz LGYGLLZILDDXIP-UHFFFAOYSA-N 2 2 270.380 2.652 20 30 CFEDLP C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000602746626 351012578 /nfs/dbraw/zinc/01/25/78/351012578.db2.gz HGWHUPASCZWKMT-SFHVURJKSA-N 2 2 295.430 2.768 20 30 CFEDLP C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000602746626 351012580 /nfs/dbraw/zinc/01/25/80/351012580.db2.gz HGWHUPASCZWKMT-SFHVURJKSA-N 2 2 295.430 2.768 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000611268118 351660996 /nfs/dbraw/zinc/66/09/96/351660996.db2.gz OOSNXYFNUUAZND-LBPRGKRZSA-N 2 2 272.377 2.653 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)s1 ZINC000611268118 351660999 /nfs/dbraw/zinc/66/09/99/351660999.db2.gz OOSNXYFNUUAZND-LBPRGKRZSA-N 2 2 272.377 2.653 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)s1 ZINC000122576611 187039056 /nfs/dbraw/zinc/03/90/56/187039056.db2.gz PODPDVYUMYMQHQ-UHFFFAOYSA-N 2 2 272.377 2.653 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000618577753 352817230 /nfs/dbraw/zinc/81/72/30/352817230.db2.gz FCKREOQJZQBDAD-IJEWVQPXSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000618577753 352817231 /nfs/dbraw/zinc/81/72/31/352817231.db2.gz FCKREOQJZQBDAD-IJEWVQPXSA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754889 353063693 /nfs/dbraw/zinc/06/36/93/353063693.db2.gz NZGFJVPGGQKPFN-BZNIZROVSA-N 2 2 289.810 2.784 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754889 353063694 /nfs/dbraw/zinc/06/36/94/353063694.db2.gz NZGFJVPGGQKPFN-BZNIZROVSA-N 2 2 289.810 2.784 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000294855845 199215939 /nfs/dbraw/zinc/21/59/39/199215939.db2.gz BPEGKFKSTPSSHF-NSHDSACASA-N 2 2 284.325 2.710 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000294855845 199215941 /nfs/dbraw/zinc/21/59/41/199215941.db2.gz BPEGKFKSTPSSHF-NSHDSACASA-N 2 2 284.325 2.710 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCCCC2)c(F)c1 ZINC000298092558 200331350 /nfs/dbraw/zinc/33/13/50/200331350.db2.gz PFSILMFDWFEBGF-UHFFFAOYSA-N 2 2 275.371 2.663 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)s1 ZINC000177589440 189058902 /nfs/dbraw/zinc/05/89/02/189058902.db2.gz ZFEVBDCHKMRJDQ-UHFFFAOYSA-N 2 2 272.377 2.607 20 30 CFEDLP Cc1cc(C[NH2+]CCCNc2cccc[nH+]2)ccc1C#N ZINC000444005593 241107298 /nfs/dbraw/zinc/10/72/98/241107298.db2.gz RHIYRQFRHGLYIU-UHFFFAOYSA-N 2 2 280.375 2.854 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1cccc(C#N)c1 ZINC000346802996 299373650 /nfs/dbraw/zinc/37/36/50/299373650.db2.gz UTKNUWMEPFBVHO-HEHGZKQESA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(C#N)c1 ZINC000346802996 299373654 /nfs/dbraw/zinc/37/36/54/299373654.db2.gz UTKNUWMEPFBVHO-HEHGZKQESA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CCC#N)C1 ZINC000574392862 335015525 /nfs/dbraw/zinc/01/55/25/335015525.db2.gz JJRHWMQAGWGODB-OAHLLOKOSA-N 2 2 271.408 2.922 20 30 CFEDLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CCC#N)C1 ZINC000574392862 335015527 /nfs/dbraw/zinc/01/55/27/335015527.db2.gz JJRHWMQAGWGODB-OAHLLOKOSA-N 2 2 271.408 2.922 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289511486 197384555 /nfs/dbraw/zinc/38/45/55/197384555.db2.gz GUDFCSUCTRKLAW-FUNVUKJBSA-N 2 2 275.421 2.677 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289511486 197384557 /nfs/dbraw/zinc/38/45/57/197384557.db2.gz GUDFCSUCTRKLAW-FUNVUKJBSA-N 2 2 275.421 2.677 20 30 CFEDLP C[NH+](Cc1ccc(C#N)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289511486 197384559 /nfs/dbraw/zinc/38/45/59/197384559.db2.gz GUDFCSUCTRKLAW-FUNVUKJBSA-N 2 2 275.421 2.677 20 30 CFEDLP C[NH+](Cc1ccc(C#N)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289511486 197384560 /nfs/dbraw/zinc/38/45/60/197384560.db2.gz GUDFCSUCTRKLAW-FUNVUKJBSA-N 2 2 275.421 2.677 20 30 CFEDLP N#Cc1cccc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000119019265 376336821 /nfs/dbraw/zinc/33/68/21/376336821.db2.gz DGSBHGDAFNNZAK-UHFFFAOYSA-N 2 2 280.375 2.935 20 30 CFEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000120837430 376703506 /nfs/dbraw/zinc/70/35/06/376703506.db2.gz NEBXLGZKOLJWRN-AWEZNQCLSA-N 2 2 275.396 2.609 20 30 CFEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000120837430 376703510 /nfs/dbraw/zinc/70/35/10/376703510.db2.gz NEBXLGZKOLJWRN-AWEZNQCLSA-N 2 2 275.396 2.609 20 30 CFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000123767792 376977853 /nfs/dbraw/zinc/97/78/53/376977853.db2.gz VVCFWPREYRPGQL-OAHLLOKOSA-N 2 2 294.402 2.746 20 30 CFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000123767792 376977859 /nfs/dbraw/zinc/97/78/59/376977859.db2.gz VVCFWPREYRPGQL-OAHLLOKOSA-N 2 2 294.402 2.746 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000129110297 377385797 /nfs/dbraw/zinc/38/57/97/377385797.db2.gz UPJVTLAGQOIFKK-WBVHZDCISA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000129110297 377385807 /nfs/dbraw/zinc/38/58/07/377385807.db2.gz UPJVTLAGQOIFKK-WBVHZDCISA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000129110297 377385815 /nfs/dbraw/zinc/38/58/15/377385815.db2.gz UPJVTLAGQOIFKK-WBVHZDCISA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC[C@@H]21 ZINC000129110297 377385824 /nfs/dbraw/zinc/38/58/24/377385824.db2.gz UPJVTLAGQOIFKK-WBVHZDCISA-N 2 2 287.382 2.613 20 30 CFEDLP C[C@H](CC#N)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000129546091 377442590 /nfs/dbraw/zinc/44/25/90/377442590.db2.gz AWWCUAFMWSAFNA-CYBMUJFWSA-N 2 2 254.337 2.606 20 30 CFEDLP C[C@H](CC#N)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000129546091 377442596 /nfs/dbraw/zinc/44/25/96/377442596.db2.gz AWWCUAFMWSAFNA-CYBMUJFWSA-N 2 2 254.337 2.606 20 30 CFEDLP N#Cc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000131727141 377752037 /nfs/dbraw/zinc/75/20/37/377752037.db2.gz DTLUAVARYQOTBO-MRXNPFEDSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000131727141 377752046 /nfs/dbraw/zinc/75/20/46/377752046.db2.gz DTLUAVARYQOTBO-MRXNPFEDSA-N 2 2 297.333 2.746 20 30 CFEDLP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922766 378063319 /nfs/dbraw/zinc/06/33/19/378063319.db2.gz VMOHTOQKMRRLDG-OCCSQVGLSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922766 378063330 /nfs/dbraw/zinc/06/33/30/378063330.db2.gz VMOHTOQKMRRLDG-OCCSQVGLSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134922766 378063334 /nfs/dbraw/zinc/06/33/34/378063334.db2.gz VMOHTOQKMRRLDG-OCCSQVGLSA-N 2 2 254.805 2.688 20 30 CFEDLP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134922766 378063339 /nfs/dbraw/zinc/06/33/39/378063339.db2.gz VMOHTOQKMRRLDG-OCCSQVGLSA-N 2 2 254.805 2.688 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)C(C)C ZINC000152067381 378389732 /nfs/dbraw/zinc/38/97/32/378389732.db2.gz IJTCHJNOKVOOEY-BRWVUGGUSA-N 2 2 280.456 2.700 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000334202948 378919245 /nfs/dbraw/zinc/91/92/45/378919245.db2.gz QCIMHWWGADDNSJ-UHFFFAOYSA-N 2 2 266.348 2.661 20 30 CFEDLP C=C(Cl)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278675527 194097183 /nfs/dbraw/zinc/09/71/83/194097183.db2.gz RGLURDDMHCGJGI-UHFFFAOYSA-N 2 2 266.772 2.986 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000339056246 220260120 /nfs/dbraw/zinc/26/01/20/220260120.db2.gz XKDATGMQPMPQRE-UHFFFAOYSA-N 2 2 251.333 2.594 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000334387244 379208808 /nfs/dbraw/zinc/20/88/08/379208808.db2.gz PFCROJGXSTZOFX-CJNGLKHVSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C[C@@H]1n1cc[nH+]c1 ZINC000334387244 379208811 /nfs/dbraw/zinc/20/88/11/379208811.db2.gz PFCROJGXSTZOFX-CJNGLKHVSA-N 2 2 298.365 2.977 20 30 CFEDLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000171691297 379373963 /nfs/dbraw/zinc/37/39/63/379373963.db2.gz OTBHQQAHRPNVQY-UHFFFAOYSA-N 2 2 257.381 2.521 20 30 CFEDLP C=C(C)CC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000572029512 383748721 /nfs/dbraw/zinc/74/87/21/383748721.db2.gz WIBIFTFQRGBIDR-HNNXBMFYSA-N 2 2 287.407 2.570 20 30 CFEDLP C=CCSCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354349938 381218816 /nfs/dbraw/zinc/21/88/16/381218816.db2.gz WPIXKSTVUNHYSR-UHFFFAOYSA-N 2 2 250.411 2.831 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[N@@H+]1C1CC1 ZINC000342808975 381556551 /nfs/dbraw/zinc/55/65/51/381556551.db2.gz SPUYMRAILHDREX-CJNGLKHVSA-N 2 2 281.403 2.762 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[N@H+]1C1CC1 ZINC000342808975 381556556 /nfs/dbraw/zinc/55/65/56/381556556.db2.gz SPUYMRAILHDREX-CJNGLKHVSA-N 2 2 281.403 2.762 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297595145 381566784 /nfs/dbraw/zinc/56/67/84/381566784.db2.gz HTVFUXMBINXARQ-OAHLLOKOSA-N 2 2 272.392 2.620 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000185384152 381618594 /nfs/dbraw/zinc/61/85/94/381618594.db2.gz ZJBCMGYIUDYJIJ-LBPRGKRZSA-N 2 2 278.371 2.832 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000359864658 381647588 /nfs/dbraw/zinc/64/75/88/381647588.db2.gz BMNGVKOHQNXPCE-VYDXJSESSA-N 2 2 256.393 2.508 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000359864658 381647593 /nfs/dbraw/zinc/64/75/93/381647593.db2.gz BMNGVKOHQNXPCE-VYDXJSESSA-N 2 2 256.393 2.508 20 30 CFEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC#N ZINC000298554747 381672034 /nfs/dbraw/zinc/67/20/34/381672034.db2.gz OPWDQINEHMTUEQ-INIZCTEOSA-N 2 2 271.408 2.790 20 30 CFEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC#N ZINC000298554747 381672041 /nfs/dbraw/zinc/67/20/41/381672041.db2.gz OPWDQINEHMTUEQ-INIZCTEOSA-N 2 2 271.408 2.790 20 30 CFEDLP CC#CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000360969289 381797825 /nfs/dbraw/zinc/79/78/25/381797825.db2.gz QKNNOCUNUMWZII-DOTOQJQBSA-N 2 2 256.393 2.825 20 30 CFEDLP CC#CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000360969289 381797830 /nfs/dbraw/zinc/79/78/30/381797830.db2.gz QKNNOCUNUMWZII-DOTOQJQBSA-N 2 2 256.393 2.825 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+]1CCCC[C@H]1C ZINC000361457934 381832359 /nfs/dbraw/zinc/83/23/59/381832359.db2.gz CNQCTROUJUZOEC-LVQVYYBASA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@H+]1CCCC[C@H]1C ZINC000361457934 381832368 /nfs/dbraw/zinc/83/23/68/381832368.db2.gz CNQCTROUJUZOEC-LVQVYYBASA-N 2 2 263.429 2.921 20 30 CFEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000372782495 381868582 /nfs/dbraw/zinc/86/85/82/381868582.db2.gz FRIBUPHWRSPHMU-CVEARBPZSA-N 2 2 289.423 2.593 20 30 CFEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000372782495 381868592 /nfs/dbraw/zinc/86/85/92/381868592.db2.gz FRIBUPHWRSPHMU-CVEARBPZSA-N 2 2 289.423 2.593 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000373230968 381955564 /nfs/dbraw/zinc/95/55/64/381955564.db2.gz OJAWAWULZFVVRX-AWEZNQCLSA-N 2 2 274.412 2.929 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000373230968 381955567 /nfs/dbraw/zinc/95/55/67/381955567.db2.gz OJAWAWULZFVVRX-AWEZNQCLSA-N 2 2 274.412 2.929 20 30 CFEDLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203368 381947388 /nfs/dbraw/zinc/94/73/88/381947388.db2.gz FVNNQTOJNSRZCR-SPUZQDLCSA-N 2 2 298.434 2.746 20 30 CFEDLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203368 381947393 /nfs/dbraw/zinc/94/73/93/381947393.db2.gz FVNNQTOJNSRZCR-SPUZQDLCSA-N 2 2 298.434 2.746 20 30 CFEDLP C=C(C)CC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000373459756 382008708 /nfs/dbraw/zinc/00/87/08/382008708.db2.gz GUYIAVSBWZXJTK-UHFFFAOYSA-N 2 2 287.451 2.987 20 30 CFEDLP C=C(C)CC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000373459756 382008715 /nfs/dbraw/zinc/00/87/15/382008715.db2.gz GUYIAVSBWZXJTK-UHFFFAOYSA-N 2 2 287.451 2.987 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299740835 382042189 /nfs/dbraw/zinc/04/21/89/382042189.db2.gz BZSJURVNZVOCJA-ZDUSSCGKSA-N 2 2 296.374 2.674 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299740835 382042193 /nfs/dbraw/zinc/04/21/93/382042193.db2.gz BZSJURVNZVOCJA-ZDUSSCGKSA-N 2 2 296.374 2.674 20 30 CFEDLP C=CCCCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376057383 382118192 /nfs/dbraw/zinc/11/81/92/382118192.db2.gz YWMRYKBTEQACAI-ROUUACIJSA-N 2 2 293.499 2.691 20 30 CFEDLP C=CCCCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376057383 382118200 /nfs/dbraw/zinc/11/82/00/382118200.db2.gz YWMRYKBTEQACAI-ROUUACIJSA-N 2 2 293.499 2.691 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1COC(C)(C)C1)C(C)C ZINC000417864736 382086974 /nfs/dbraw/zinc/08/69/74/382086974.db2.gz UPZYVFQYMZCBCG-CVEARBPZSA-N 2 2 280.456 2.842 20 30 CFEDLP C=CCOCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000294016865 382379492 /nfs/dbraw/zinc/37/94/92/382379492.db2.gz HBCBZWOATJJLLE-HNNXBMFYSA-N 2 2 289.423 2.601 20 30 CFEDLP C=CCOCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000294016865 382379496 /nfs/dbraw/zinc/37/94/96/382379496.db2.gz HBCBZWOATJJLLE-HNNXBMFYSA-N 2 2 289.423 2.601 20 30 CFEDLP C=CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000352930805 382483839 /nfs/dbraw/zinc/48/38/39/382483839.db2.gz MINIDGXUZGZYRM-WMZOPIPTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000352930805 382483841 /nfs/dbraw/zinc/48/38/41/382483841.db2.gz MINIDGXUZGZYRM-WMZOPIPTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000352930805 382483845 /nfs/dbraw/zinc/48/38/45/382483845.db2.gz MINIDGXUZGZYRM-WMZOPIPTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000352930805 382483852 /nfs/dbraw/zinc/48/38/52/382483852.db2.gz MINIDGXUZGZYRM-WMZOPIPTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000346820437 382528346 /nfs/dbraw/zinc/52/83/46/382528346.db2.gz HUBJNZCJDYRFSV-AWEZNQCLSA-N 2 2 262.372 2.813 20 30 CFEDLP C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCC[NH2+]C1 ZINC000346820437 382528353 /nfs/dbraw/zinc/52/83/53/382528353.db2.gz HUBJNZCJDYRFSV-AWEZNQCLSA-N 2 2 262.372 2.813 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000366639028 382535222 /nfs/dbraw/zinc/53/52/22/382535222.db2.gz MXMLEIHXPOSPIU-WBVHZDCISA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000366639028 382535227 /nfs/dbraw/zinc/53/52/27/382535227.db2.gz MXMLEIHXPOSPIU-WBVHZDCISA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CCC[N@@H+]1C ZINC000353675015 382601982 /nfs/dbraw/zinc/60/19/82/382601982.db2.gz JPTSFXUAUODGIR-OAUYIBNBSA-N 2 2 269.392 2.618 20 30 CFEDLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CCC[N@H+]1C ZINC000353675015 382601984 /nfs/dbraw/zinc/60/19/84/382601984.db2.gz JPTSFXUAUODGIR-OAUYIBNBSA-N 2 2 269.392 2.618 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C[C@H]1C ZINC000353748874 382624008 /nfs/dbraw/zinc/62/40/08/382624008.db2.gz SLUNNFREJKZMLT-CHWSQXEVSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)C[C@H]1C ZINC000353748874 382624010 /nfs/dbraw/zinc/62/40/10/382624010.db2.gz SLUNNFREJKZMLT-CHWSQXEVSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C[C@H]1C ZINC000353748874 382624012 /nfs/dbraw/zinc/62/40/12/382624012.db2.gz SLUNNFREJKZMLT-CHWSQXEVSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C[C@H]1C ZINC000353748874 382624015 /nfs/dbraw/zinc/62/40/15/382624015.db2.gz SLUNNFREJKZMLT-CHWSQXEVSA-N 2 2 277.437 2.924 20 30 CFEDLP C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)[N@H+](C)Cc1ccccc1 ZINC000190993582 382687516 /nfs/dbraw/zinc/68/75/16/382687516.db2.gz YSCSYZQMNCPUFB-HNNXBMFYSA-N 2 2 296.418 2.507 20 30 CFEDLP C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000190993582 382687518 /nfs/dbraw/zinc/68/75/18/382687518.db2.gz YSCSYZQMNCPUFB-HNNXBMFYSA-N 2 2 296.418 2.507 20 30 CFEDLP C=CCSCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000221948444 382800392 /nfs/dbraw/zinc/80/03/92/382800392.db2.gz YCWRMEPERHWZPW-UHFFFAOYSA-N 2 2 277.437 2.559 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000442711241 382947079 /nfs/dbraw/zinc/94/70/79/382947079.db2.gz RRFDFOJKONGVEM-BRWVUGGUSA-N 2 2 275.440 2.967 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000442791902 382957657 /nfs/dbraw/zinc/95/76/57/382957657.db2.gz KXOLLLKGDBFKFL-KURKYZTESA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000442791902 382957666 /nfs/dbraw/zinc/95/76/66/382957666.db2.gz KXOLLLKGDBFKFL-KURKYZTESA-N 2 2 283.419 2.933 20 30 CFEDLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000578840537 382958920 /nfs/dbraw/zinc/95/89/20/382958920.db2.gz HWSAYGPWWFUISO-PBHICJAKSA-N 2 2 271.408 2.941 20 30 CFEDLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000578840537 382958925 /nfs/dbraw/zinc/95/89/25/382958925.db2.gz HWSAYGPWWFUISO-PBHICJAKSA-N 2 2 271.408 2.941 20 30 CFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000544599991 382976014 /nfs/dbraw/zinc/97/60/14/382976014.db2.gz VHLXGCHVPYOBTQ-FMKPAKJESA-N 2 2 263.429 2.779 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000245759971 383033162 /nfs/dbraw/zinc/03/31/62/383033162.db2.gz PNHLIFKTKBYQGT-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000245759971 383033166 /nfs/dbraw/zinc/03/31/66/383033166.db2.gz PNHLIFKTKBYQGT-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000245759971 383033170 /nfs/dbraw/zinc/03/31/70/383033170.db2.gz PNHLIFKTKBYQGT-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000245759971 383033172 /nfs/dbraw/zinc/03/31/72/383033172.db2.gz PNHLIFKTKBYQGT-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246308999 383071324 /nfs/dbraw/zinc/07/13/24/383071324.db2.gz DQGUYNHCTXAJMP-YQQAZPJKSA-N 2 2 273.424 2.846 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246308999 383071326 /nfs/dbraw/zinc/07/13/26/383071326.db2.gz DQGUYNHCTXAJMP-YQQAZPJKSA-N 2 2 273.424 2.846 20 30 CFEDLP N#CCCC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000565599493 383180437 /nfs/dbraw/zinc/18/04/37/383180437.db2.gz MFXBQRDPMYJEEZ-UHFFFAOYSA-N 2 2 268.364 2.850 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247559112 383184334 /nfs/dbraw/zinc/18/43/34/383184334.db2.gz KTVRCBOSQCGQOK-RHSMWYFYSA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247559112 383184336 /nfs/dbraw/zinc/18/43/36/383184336.db2.gz KTVRCBOSQCGQOK-RHSMWYFYSA-N 2 2 280.375 2.838 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449393994 383261433 /nfs/dbraw/zinc/26/14/33/383261433.db2.gz DENFFGSLSUNLKL-JKSUJKDBSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449393994 383261439 /nfs/dbraw/zinc/26/14/39/383261439.db2.gz DENFFGSLSUNLKL-JKSUJKDBSA-N 2 2 268.445 2.558 20 30 CFEDLP Cc1ccc([C@H](CNc2cc(C)[nH+]cc2C#N)[NH+](C)C)cc1 ZINC000425217248 383341441 /nfs/dbraw/zinc/34/14/41/383341441.db2.gz UHVJJGCMFTZQBM-SFHVURJKSA-N 2 2 294.402 2.707 20 30 CFEDLP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]cc1C#N)c1ccco1 ZINC000425213267 383341544 /nfs/dbraw/zinc/34/15/44/383341544.db2.gz GPXMFEQNUXPFGU-INIZCTEOSA-N 2 2 298.390 2.772 20 30 CFEDLP CC(C)[NH+](CCC[NH2+]C[C@@H](C#N)CCC#N)C(C)C ZINC000567683170 383301879 /nfs/dbraw/zinc/30/18/79/383301879.db2.gz JBMIIUKYAAGNLF-OAHLLOKOSA-N 2 2 264.417 2.528 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000248911699 383307473 /nfs/dbraw/zinc/30/74/73/383307473.db2.gz YDZKTOAMDDDMQG-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1n1cc[nH+]c1 ZINC000248911699 383307476 /nfs/dbraw/zinc/30/74/76/383307476.db2.gz YDZKTOAMDDDMQG-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449520842 383352511 /nfs/dbraw/zinc/35/25/11/383352511.db2.gz QQKNWGIAWKJISO-OWLYRPNTSA-N 2 2 286.419 2.583 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449520842 383352514 /nfs/dbraw/zinc/35/25/14/383352514.db2.gz QQKNWGIAWKJISO-OWLYRPNTSA-N 2 2 286.419 2.583 20 30 CFEDLP N#CCC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000430022108 383583975 /nfs/dbraw/zinc/58/39/75/383583975.db2.gz NWHZTPZWNFTGBS-UHFFFAOYSA-N 2 2 266.348 2.656 20 30 CFEDLP C=CC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CCCCC1 ZINC000431081382 383628662 /nfs/dbraw/zinc/62/86/62/383628662.db2.gz PMTKSMYVDIDLIZ-UHFFFAOYSA-N 2 2 292.427 2.832 20 30 CFEDLP C=CC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1CCCCC1 ZINC000431081382 383628666 /nfs/dbraw/zinc/62/86/66/383628666.db2.gz PMTKSMYVDIDLIZ-UHFFFAOYSA-N 2 2 292.427 2.832 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000265487864 383930475 /nfs/dbraw/zinc/93/04/75/383930475.db2.gz MOFGZUYIPQJZDY-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574951812 384168561 /nfs/dbraw/zinc/16/85/61/384168561.db2.gz XBISCDUTTROBSI-QZTJIDSGSA-N 2 2 296.418 2.542 20 30 CFEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574951812 384168571 /nfs/dbraw/zinc/16/85/71/384168571.db2.gz XBISCDUTTROBSI-QZTJIDSGSA-N 2 2 296.418 2.542 20 30 CFEDLP C#CCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000268753416 533044816 /nfs/dbraw/zinc/04/48/16/533044816.db2.gz XOYPYWHOEKTDMD-UHFFFAOYSA-N 2 2 271.408 2.643 20 30 CFEDLP C#CCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000268753416 533044821 /nfs/dbraw/zinc/04/48/21/533044821.db2.gz XOYPYWHOEKTDMD-UHFFFAOYSA-N 2 2 271.408 2.643 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000277371312 384283193 /nfs/dbraw/zinc/28/31/93/384283193.db2.gz XRDNKYMPPSXBEK-OAHLLOKOSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000277371312 384283201 /nfs/dbraw/zinc/28/32/01/384283201.db2.gz XRDNKYMPPSXBEK-OAHLLOKOSA-N 2 2 275.371 2.613 20 30 CFEDLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000278253506 384508420 /nfs/dbraw/zinc/50/84/20/384508420.db2.gz MUFPGADSBPWWFW-CZUORRHYSA-N 2 2 268.364 2.884 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)c1ccco1 ZINC000643538444 384719711 /nfs/dbraw/zinc/71/97/11/384719711.db2.gz KKODAIYNDCMDHP-RWMBFGLXSA-N 2 2 252.333 2.577 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(F)c2N)CC1 ZINC000638524618 384721859 /nfs/dbraw/zinc/72/18/59/384721859.db2.gz PQLKMBGNSAXJOT-UHFFFAOYSA-N 2 2 277.387 2.538 20 30 CFEDLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000269719258 384848939 /nfs/dbraw/zinc/84/89/39/384848939.db2.gz SVZJWTMSHTWWEQ-CQSZACIVSA-N 2 2 296.374 2.670 20 30 CFEDLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C#N ZINC000269719258 384848947 /nfs/dbraw/zinc/84/89/47/384848947.db2.gz SVZJWTMSHTWWEQ-CQSZACIVSA-N 2 2 296.374 2.670 20 30 CFEDLP Cc1cc(C)cc(NC(=[NH2+])NCCc2cc[nH+]cc2C)c1 ZINC000269989087 384933941 /nfs/dbraw/zinc/93/39/41/384933941.db2.gz UEROTHHAPUDHNT-UHFFFAOYSA-N 2 2 282.391 2.976 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000289265583 197279500 /nfs/dbraw/zinc/27/95/00/197279500.db2.gz NBAWSIHPTYUGHA-MAUKXSAKSA-N 2 2 279.387 2.948 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000289265583 197279503 /nfs/dbraw/zinc/27/95/03/197279503.db2.gz NBAWSIHPTYUGHA-MAUKXSAKSA-N 2 2 279.387 2.948 20 30 CFEDLP C=CC[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000270592400 385159415 /nfs/dbraw/zinc/15/94/15/385159415.db2.gz SXNLCLVQXNCUGY-UHFFFAOYSA-N 2 2 256.353 2.625 20 30 CFEDLP C#CCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000271189190 385369129 /nfs/dbraw/zinc/36/91/29/385369129.db2.gz LIZPRDUKUMCCKF-UHFFFAOYSA-N 2 2 295.386 2.801 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000272208391 385474936 /nfs/dbraw/zinc/47/49/36/385474936.db2.gz KGSOZODKSUPHSC-CJNGLKHVSA-N 2 2 269.392 2.620 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000272208391 385474940 /nfs/dbraw/zinc/47/49/40/385474940.db2.gz KGSOZODKSUPHSC-CJNGLKHVSA-N 2 2 269.392 2.620 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000284183652 385545356 /nfs/dbraw/zinc/54/53/56/385545356.db2.gz AQISUCKAUWIHJK-UHFFFAOYSA-N 2 2 288.439 2.514 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2cc(C)[nH+]c(CC)n2)CC1 ZINC000287232614 385808588 /nfs/dbraw/zinc/80/85/88/385808588.db2.gz JEUFOJWWZGGDQP-UHFFFAOYSA-N 2 2 274.412 2.800 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000249301226 131121913 /nfs/dbraw/zinc/12/19/13/131121913.db2.gz GVQDQBHHNVOMLJ-CJNGLKHVSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000249301226 131121915 /nfs/dbraw/zinc/12/19/15/131121915.db2.gz GVQDQBHHNVOMLJ-CJNGLKHVSA-N 2 2 257.381 2.693 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335177479 393650131 /nfs/dbraw/zinc/65/01/31/393650131.db2.gz HKGVRBVUMCPRNJ-NVXWUHKLSA-N 2 2 269.392 2.667 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093644918 393802786 /nfs/dbraw/zinc/80/27/86/393802786.db2.gz UMRNUVSLAYEFKP-WCQYABFASA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@H+]1C ZINC000093644918 393802789 /nfs/dbraw/zinc/80/27/89/393802789.db2.gz UMRNUVSLAYEFKP-WCQYABFASA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(C#N)cs2)CC[NH+]1C ZINC000093644918 393802794 /nfs/dbraw/zinc/80/27/94/393802794.db2.gz UMRNUVSLAYEFKP-WCQYABFASA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)CC[NH+]1C ZINC000093644918 393802798 /nfs/dbraw/zinc/80/27/98/393802798.db2.gz UMRNUVSLAYEFKP-WCQYABFASA-N 2 2 263.410 2.534 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353238681 394026406 /nfs/dbraw/zinc/02/64/06/394026406.db2.gz FOLGKTWKYMBFOB-CQSZACIVSA-N 2 2 283.375 2.622 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353238681 394026410 /nfs/dbraw/zinc/02/64/10/394026410.db2.gz FOLGKTWKYMBFOB-CQSZACIVSA-N 2 2 283.375 2.622 20 30 CFEDLP C=CCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000359453380 394134879 /nfs/dbraw/zinc/13/48/79/394134879.db2.gz DPZJFPNNRPJDBU-ZIAGYGMSSA-N 2 2 292.810 2.556 20 30 CFEDLP N#Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000131726908 394138851 /nfs/dbraw/zinc/13/88/51/394138851.db2.gz DTLUAVARYQOTBO-INIZCTEOSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1F ZINC000131726908 394138853 /nfs/dbraw/zinc/13/88/53/394138853.db2.gz DTLUAVARYQOTBO-INIZCTEOSA-N 2 2 297.333 2.746 20 30 CFEDLP C=CCC[C@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073216 394164859 /nfs/dbraw/zinc/16/48/59/394164859.db2.gz MLZVUIOJWWAZJO-KRWDZBQOSA-N 2 2 291.439 2.702 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449518686 394281036 /nfs/dbraw/zinc/28/10/36/394281036.db2.gz KHYNRIJWDCKZLY-OWLYRPNTSA-N 2 2 286.419 2.755 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449518686 394281042 /nfs/dbraw/zinc/28/10/42/394281042.db2.gz KHYNRIJWDCKZLY-OWLYRPNTSA-N 2 2 286.419 2.755 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156335052 394332527 /nfs/dbraw/zinc/33/25/27/394332527.db2.gz AYFYBSJVRMPPMB-INIZCTEOSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156335052 394332530 /nfs/dbraw/zinc/33/25/30/394332530.db2.gz AYFYBSJVRMPPMB-INIZCTEOSA-N 2 2 297.333 2.746 20 30 CFEDLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)ccc1C#N ZINC000527808660 394411552 /nfs/dbraw/zinc/41/15/52/394411552.db2.gz KJTWEUVXFKJGSZ-KRWDZBQOSA-N 2 2 299.418 2.673 20 30 CFEDLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)ccc1C#N ZINC000527808660 394411553 /nfs/dbraw/zinc/41/15/53/394411553.db2.gz KJTWEUVXFKJGSZ-KRWDZBQOSA-N 2 2 299.418 2.673 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000648500179 395175764 /nfs/dbraw/zinc/17/57/64/395175764.db2.gz OETYXRNTABBVTG-OAHLLOKOSA-N 2 2 268.445 2.822 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647181244 395206286 /nfs/dbraw/zinc/20/62/86/395206286.db2.gz QZSWYVKOIGJVCQ-UHFFFAOYSA-N 2 2 258.356 2.804 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CNc1nc(C)[nH+]cc1C)C(C)C ZINC000647854320 395445680 /nfs/dbraw/zinc/44/56/80/395445680.db2.gz LHOYWZFTLOYJKL-MRXNPFEDSA-N 2 2 288.439 2.626 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2nc(C)[nH+]c(C)c2C)CC1 ZINC000301666903 397638685 /nfs/dbraw/zinc/63/86/85/397638685.db2.gz CNDSELLVMLBIQM-UHFFFAOYSA-N 2 2 274.412 2.854 20 30 CFEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660481012 413349182 /nfs/dbraw/zinc/34/91/82/413349182.db2.gz XNLJKHUOJYVQRR-DLBZAZTESA-N 2 2 280.456 2.918 20 30 CFEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660481012 413349189 /nfs/dbraw/zinc/34/91/89/413349189.db2.gz XNLJKHUOJYVQRR-DLBZAZTESA-N 2 2 280.456 2.918 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)CC(C)(C)C)CC1 ZINC000651700879 413576828 /nfs/dbraw/zinc/57/68/28/413576828.db2.gz XNGQVAMYNBMRBE-OAHLLOKOSA-N 2 2 268.445 2.678 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657658383 413827977 /nfs/dbraw/zinc/82/79/77/413827977.db2.gz VISJECMDHBTFCY-FUHWJXTLSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657658383 413827988 /nfs/dbraw/zinc/82/79/88/413827988.db2.gz VISJECMDHBTFCY-FUHWJXTLSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000657658123 413828246 /nfs/dbraw/zinc/82/82/46/413828246.db2.gz NUBYHGZNSCEGDT-FUHWJXTLSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000657658123 413828258 /nfs/dbraw/zinc/82/82/58/413828258.db2.gz NUBYHGZNSCEGDT-FUHWJXTLSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658293645 414353558 /nfs/dbraw/zinc/35/35/58/414353558.db2.gz IHOHIWNRVUOYCP-NVXWUHKLSA-N 2 2 280.456 2.964 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655735833 414399900 /nfs/dbraw/zinc/39/99/00/414399900.db2.gz KNDYPFSUFFLPGA-WBVHZDCISA-N 2 2 280.456 2.964 20 30 CFEDLP N#CCCCOc1cccc(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000353690691 228145516 /nfs/dbraw/zinc/14/55/16/228145516.db2.gz SDESPUINKULCBH-AEFFLSMTSA-N 2 2 299.418 2.553 20 30 CFEDLP N#CCCCOc1cccc(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)c1 ZINC000353690691 228145517 /nfs/dbraw/zinc/14/55/17/228145517.db2.gz SDESPUINKULCBH-AEFFLSMTSA-N 2 2 299.418 2.553 20 30 CFEDLP C#CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000179453351 260048480 /nfs/dbraw/zinc/04/84/80/260048480.db2.gz OZKBUNVVOCTFMK-QGZVFWFLSA-N 2 2 265.360 2.506 20 30 CFEDLP C#CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000179453351 260048482 /nfs/dbraw/zinc/04/84/82/260048482.db2.gz OZKBUNVVOCTFMK-QGZVFWFLSA-N 2 2 265.360 2.506 20 30 CFEDLP C[NH+](C)C(C)(C)C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036354 260206997 /nfs/dbraw/zinc/20/69/97/260206997.db2.gz QXZLOSUCUDGQML-UHFFFAOYSA-N 2 2 271.408 2.540 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000368570720 262076292 /nfs/dbraw/zinc/07/62/92/262076292.db2.gz YUJDHSUCSIPLIV-OKZBNKHCSA-N 2 2 292.467 2.822 20 30 CFEDLP CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264149696 262880725 /nfs/dbraw/zinc/88/07/25/262880725.db2.gz YZRXQVKVABGZDU-KGLIPLIRSA-N 2 2 292.427 2.509 20 30 CFEDLP COc1cccc(/C=[NH+]/CC2CC[NH+](C3CC3)CC2)c1O ZINC000277909277 263044404 /nfs/dbraw/zinc/04/44/04/263044404.db2.gz DJGYVIRIVMTYLV-LDADJPATSA-N 2 2 288.391 2.694 20 30 CFEDLP C=CC[NH+](CCC#N)CCCCC[N@@H+](CC=C)CCC#N ZINC000292149241 263129003 /nfs/dbraw/zinc/12/90/03/263129003.db2.gz KALXACIIZOSNLN-UHFFFAOYSA-N 2 2 288.439 2.960 20 30 CFEDLP C=CC[NH+](CCC#N)CCCCC[N@H+](CC=C)CCC#N ZINC000292149241 263129004 /nfs/dbraw/zinc/12/90/04/263129004.db2.gz KALXACIIZOSNLN-UHFFFAOYSA-N 2 2 288.439 2.960 20 30 CFEDLP CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)[nH+]cc1C#N ZINC000399518666 266113833 /nfs/dbraw/zinc/11/38/33/266113833.db2.gz NUWUXWFYZOCDCM-CYBMUJFWSA-N 2 2 274.412 2.606 20 30 CFEDLP C=CC[C@@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356886788 266205150 /nfs/dbraw/zinc/20/51/50/266205150.db2.gz YLPDCNXNTBCRGO-LLVKDONJSA-N 2 2 264.335 2.957 20 30 CFEDLP CC#CCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000368053713 267143162 /nfs/dbraw/zinc/14/31/62/267143162.db2.gz AZZOXUDHOIXCOA-UHFFFAOYSA-N 2 2 258.365 2.647 20 30 CFEDLP C=CC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000368530944 267181164 /nfs/dbraw/zinc/18/11/64/267181164.db2.gz RKPXKNVWKUJEKT-MRXNPFEDSA-N 2 2 273.424 2.990 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]Cc1ccn(C)c1)C(C)C ZINC000123183490 268005764 /nfs/dbraw/zinc/00/57/64/268005764.db2.gz KYFJWPAUKHIMQH-KRWDZBQOSA-N 2 2 275.440 2.813 20 30 CFEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423363178 274307244 /nfs/dbraw/zinc/30/72/44/274307244.db2.gz NPKQPPASXICLDN-BVGQSLNGSA-N 2 2 283.419 2.913 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccccc2)[C@H](C)C1 ZINC000192110248 279397660 /nfs/dbraw/zinc/39/76/60/279397660.db2.gz OISNYENHTABGIF-SJLPKXTDSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccccc2)[C@H](C)C1 ZINC000192110248 279397661 /nfs/dbraw/zinc/39/76/61/279397661.db2.gz OISNYENHTABGIF-SJLPKXTDSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)[C@H](C)C1 ZINC000192110248 279397662 /nfs/dbraw/zinc/39/76/62/279397662.db2.gz OISNYENHTABGIF-SJLPKXTDSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)[C@H](C)C1 ZINC000192110248 279397663 /nfs/dbraw/zinc/39/76/63/279397663.db2.gz OISNYENHTABGIF-SJLPKXTDSA-N 2 2 270.420 2.700 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C2 ZINC000376492560 281539239 /nfs/dbraw/zinc/53/92/39/281539239.db2.gz QXUIMWWMCXITKJ-BBRMVZONSA-N 2 2 280.375 2.729 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)c(F)c1 ZINC000547979783 281762620 /nfs/dbraw/zinc/76/26/20/281762620.db2.gz HQXXCEACBIGGMN-FZMZJTMJSA-N 2 2 284.338 2.559 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1 ZINC000423391482 289978148 /nfs/dbraw/zinc/97/81/48/289978148.db2.gz PMSHMBWJYJZGQH-XJKSGUPXSA-N 2 2 271.408 2.987 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000036996825 290019173 /nfs/dbraw/zinc/01/91/73/290019173.db2.gz VXGBWLLABRCDHX-IAOVAPTHSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000036996825 290019177 /nfs/dbraw/zinc/01/91/77/290019177.db2.gz VXGBWLLABRCDHX-IAOVAPTHSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340430925 328276703 /nfs/dbraw/zinc/27/67/03/328276703.db2.gz AIDLLRNRDSLGNF-OIISXLGYSA-N 2 2 271.408 2.961 20 30 CFEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340430925 328276704 /nfs/dbraw/zinc/27/67/04/328276704.db2.gz AIDLLRNRDSLGNF-OIISXLGYSA-N 2 2 271.408 2.961 20 30 CFEDLP C=C(C)CC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449474011 330928684 /nfs/dbraw/zinc/92/86/84/330928684.db2.gz IWIXCYRJRQCGGA-UHFFFAOYSA-N 2 2 264.335 2.959 20 30 CFEDLP C=CCCOCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000090883691 327101674 /nfs/dbraw/zinc/10/16/74/327101674.db2.gz BBQVODVWAXMZII-GOSISDBHSA-N 2 2 288.435 2.833 20 30 CFEDLP C=CCCOCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000090883691 327101676 /nfs/dbraw/zinc/10/16/76/327101676.db2.gz BBQVODVWAXMZII-GOSISDBHSA-N 2 2 288.435 2.833 20 30 CFEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185820453 329330018 /nfs/dbraw/zinc/33/00/18/329330018.db2.gz NASVCNGCKHEXHE-KKUMJFAQSA-N 2 2 251.418 2.635 20 30 CFEDLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+](C)C ZINC000185772852 329331464 /nfs/dbraw/zinc/33/14/64/329331464.db2.gz OFQNSKHSQPKBTM-SOUVJXGZSA-N 2 2 251.418 2.635 20 30 CFEDLP CC(C)C[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+](C)C ZINC000185772829 329331467 /nfs/dbraw/zinc/33/14/67/329331467.db2.gz OFQNSKHSQPKBTM-KKUMJFAQSA-N 2 2 251.418 2.635 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422903588 330162262 /nfs/dbraw/zinc/16/22/62/330162262.db2.gz FRXMMYCDIZTPLV-HOCLYGCPSA-N 2 2 274.408 2.872 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422976691 330162350 /nfs/dbraw/zinc/16/23/50/330162350.db2.gz IQPROECMIYQPFC-FGTMMUONSA-N 3 2 291.483 2.537 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527997770 330299607 /nfs/dbraw/zinc/29/96/07/330299607.db2.gz AWWNDGUERLOLGV-IIAWOOMASA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527997770 330299608 /nfs/dbraw/zinc/29/96/08/330299608.db2.gz AWWNDGUERLOLGV-IIAWOOMASA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000424208351 330328136 /nfs/dbraw/zinc/32/81/36/330328136.db2.gz ZFLCGWYQDFUODQ-WCQYABFASA-N 2 2 289.345 2.685 20 30 CFEDLP CC(C)CC[NH+](CCC#N)CC[C@H]1CCC[N@@H+]1C ZINC000089614797 330386615 /nfs/dbraw/zinc/38/66/15/330386615.db2.gz OWWAVAKPAJXOMU-OAHLLOKOSA-N 2 2 251.418 2.732 20 30 CFEDLP CC(C)CC[NH+](CCC#N)CC[C@H]1CCC[N@H+]1C ZINC000089614797 330386616 /nfs/dbraw/zinc/38/66/16/330386616.db2.gz OWWAVAKPAJXOMU-OAHLLOKOSA-N 2 2 251.418 2.732 20 30 CFEDLP CC(C)CC[N@H+](CCC#N)CC[C@H]1CCC[NH+]1C ZINC000089614797 330386613 /nfs/dbraw/zinc/38/66/13/330386613.db2.gz OWWAVAKPAJXOMU-OAHLLOKOSA-N 2 2 251.418 2.732 20 30 CFEDLP CC(C)CC[N@@H+](CCC#N)CC[C@H]1CCC[NH+]1C ZINC000089614797 330386614 /nfs/dbraw/zinc/38/66/14/330386614.db2.gz OWWAVAKPAJXOMU-OAHLLOKOSA-N 2 2 251.418 2.732 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC000438977250 330731683 /nfs/dbraw/zinc/73/16/83/330731683.db2.gz KEIYOGVTSFWIDZ-CABCVRRESA-N 2 2 268.470 2.758 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000442785307 330783187 /nfs/dbraw/zinc/78/31/87/330783187.db2.gz VGDZXEHZUUJSBX-HIFRSBDPSA-N 2 2 266.348 2.654 20 30 CFEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442876647 330789778 /nfs/dbraw/zinc/78/97/78/330789778.db2.gz VMFALHMTQHHMRS-HOTGVXAUSA-N 2 2 298.434 2.851 20 30 CFEDLP C=C(CC)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026605 331012436 /nfs/dbraw/zinc/01/24/36/331012436.db2.gz LPVFWFRBQIECSK-CQSZACIVSA-N 2 2 275.396 2.567 20 30 CFEDLP C=C(CC)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026605 331012437 /nfs/dbraw/zinc/01/24/37/331012437.db2.gz LPVFWFRBQIECSK-CQSZACIVSA-N 2 2 275.396 2.567 20 30 CFEDLP C#C[C@@H](C)[N@H+](C)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000491494261 332222047 /nfs/dbraw/zinc/22/20/47/332222047.db2.gz BRCUPOGZMDLWRI-CYBMUJFWSA-N 2 2 253.349 2.634 20 30 CFEDLP C#C[C@@H](C)[N@@H+](C)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000491494261 332222049 /nfs/dbraw/zinc/22/20/49/332222049.db2.gz BRCUPOGZMDLWRI-CYBMUJFWSA-N 2 2 253.349 2.634 20 30 CFEDLP C#C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000491667929 332276077 /nfs/dbraw/zinc/27/60/77/332276077.db2.gz YQCZUVMETOBKTQ-CQSZACIVSA-N 2 2 259.378 2.681 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000252658250 334384289 /nfs/dbraw/zinc/38/42/89/334384289.db2.gz YCWOFJVRBUYOBB-DOTOQJQBSA-N 2 2 256.393 2.510 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000252658250 334384290 /nfs/dbraw/zinc/38/42/90/334384290.db2.gz YCWOFJVRBUYOBB-DOTOQJQBSA-N 2 2 256.393 2.510 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156357803 526617722 /nfs/dbraw/zinc/61/77/22/526617722.db2.gz ADBMHEIJSJNYSB-QGZVFWFLSA-N 2 2 279.343 2.607 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156357803 526617729 /nfs/dbraw/zinc/61/77/29/526617729.db2.gz ADBMHEIJSJNYSB-QGZVFWFLSA-N 2 2 279.343 2.607 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000367472362 526619437 /nfs/dbraw/zinc/61/94/37/526619437.db2.gz JRBZWIXWXHIYPV-KCXAZCMYSA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000367472362 526619441 /nfs/dbraw/zinc/61/94/41/526619441.db2.gz JRBZWIXWXHIYPV-KCXAZCMYSA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000367472362 526619449 /nfs/dbraw/zinc/61/94/49/526619449.db2.gz JRBZWIXWXHIYPV-KCXAZCMYSA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)s1 ZINC000367472362 526619453 /nfs/dbraw/zinc/61/94/53/526619453.db2.gz JRBZWIXWXHIYPV-KCXAZCMYSA-N 2 2 287.432 2.536 20 30 CFEDLP C=C(C)COCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344326727 526653874 /nfs/dbraw/zinc/65/38/74/526653874.db2.gz NNDKGBUGJQPMAD-UHFFFAOYSA-N 2 2 277.393 2.616 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](CCC)[C@@H]2CC[NH2+]C2)cc1 ZINC000347099302 526864263 /nfs/dbraw/zinc/86/42/63/526864263.db2.gz KQFVNZSMTSNCEH-MRXNPFEDSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1ccc(C[N@H+](CCC)[C@@H]2CC[NH2+]C2)cc1 ZINC000347099302 526864267 /nfs/dbraw/zinc/86/42/67/526864267.db2.gz KQFVNZSMTSNCEH-MRXNPFEDSA-N 2 2 274.408 2.825 20 30 CFEDLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423270001 528311203 /nfs/dbraw/zinc/31/12/03/528311203.db2.gz WFWHGPUWFJBJQF-AAEUAGOBSA-N 2 2 263.360 2.721 20 30 CFEDLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423286517 528953549 /nfs/dbraw/zinc/95/35/49/528953549.db2.gz HTBREVYFMJMNEQ-LLVKDONJSA-N 2 2 263.360 2.865 20 30 CFEDLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423302901 528957545 /nfs/dbraw/zinc/95/75/45/528957545.db2.gz WGFMFQUFJCXJPC-DGCLKSJQSA-N 2 2 263.360 2.865 20 30 CFEDLP C=CC[C@H]1CC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000934461778 618042546 /nfs/dbraw/zinc/04/25/46/618042546.db2.gz ZVCWZPZQPMGSHC-SFHVURJKSA-N 2 2 286.419 2.669 20 30 CFEDLP C=CC[C@H]1CC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000934461778 618042548 /nfs/dbraw/zinc/04/25/48/618042548.db2.gz ZVCWZPZQPMGSHC-SFHVURJKSA-N 2 2 286.419 2.669 20 30 CFEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000895378492 618558088 /nfs/dbraw/zinc/55/80/88/618558088.db2.gz QNOQEMNMGFUFAZ-CJNGLKHVSA-N 2 2 275.396 2.703 20 30 CFEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000895378492 618558089 /nfs/dbraw/zinc/55/80/89/618558089.db2.gz QNOQEMNMGFUFAZ-CJNGLKHVSA-N 2 2 275.396 2.703 20 30 CFEDLP CCN(Cc1ccccc1)c1ccc(C=[NH+]NC(N)=[NH2+])cc1 ZINC000309792859 618774867 /nfs/dbraw/zinc/77/48/67/618774867.db2.gz SBDIXHSCQKEGEH-UHFFFAOYSA-N 2 2 295.390 2.530 20 30 CFEDLP C#CC[NH+]1CCC(Nc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000895812800 619613294 /nfs/dbraw/zinc/61/32/94/619613294.db2.gz VQPMPENSNINIQJ-UHFFFAOYSA-N 2 2 283.350 2.883 20 30 CFEDLP CC(C)C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)[NH+](C)C ZINC000924629998 620423041 /nfs/dbraw/zinc/42/30/41/620423041.db2.gz VFFSLSNRLSMIBH-KBPBESRZSA-N 2 2 253.434 2.881 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927103863 620453685 /nfs/dbraw/zinc/45/36/85/620453685.db2.gz UJDIGGFKXXFFOV-RDJZCZTQSA-N 2 2 280.456 2.964 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927103863 620453686 /nfs/dbraw/zinc/45/36/86/620453686.db2.gz UJDIGGFKXXFFOV-RDJZCZTQSA-N 2 2 280.456 2.964 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](OCC)C2)CC1 ZINC000902797014 621179510 /nfs/dbraw/zinc/17/95/10/621179510.db2.gz YIFRIFHMHGINFY-HZPDHXFCSA-N 2 2 266.429 2.574 20 30 CFEDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cc(C#N)ccn1 ZINC000902836645 621187393 /nfs/dbraw/zinc/18/73/93/621187393.db2.gz ZWKOYRNWGTWIEF-ZDUSSCGKSA-N 2 2 281.363 2.501 20 30 CFEDLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cccnc1 ZINC000903379168 621355335 /nfs/dbraw/zinc/35/53/35/621355335.db2.gz GBEDORVCPJKDFD-OIISXLGYSA-N 2 2 286.423 2.746 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000903424839 621379924 /nfs/dbraw/zinc/37/99/24/621379924.db2.gz IOBOREFVCVMEGC-SJKOYZFVSA-N 2 2 271.408 2.734 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000903424839 621379926 /nfs/dbraw/zinc/37/99/26/621379926.db2.gz IOBOREFVCVMEGC-SJKOYZFVSA-N 2 2 271.408 2.734 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000922140194 626215938 /nfs/dbraw/zinc/21/59/38/626215938.db2.gz STBMVWRRQQGQAS-AWEZNQCLSA-N 2 2 280.375 2.545 20 30 CFEDLP CC(C)C[N@H+](C)CCC[NH2+]Cc1csc(C#N)c1 ZINC000922217709 626243435 /nfs/dbraw/zinc/24/34/35/626243435.db2.gz VXSLCDYVVASOQN-UHFFFAOYSA-N 2 2 265.426 2.687 20 30 CFEDLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1csc(C#N)c1 ZINC000922217709 626243436 /nfs/dbraw/zinc/24/34/36/626243436.db2.gz VXSLCDYVVASOQN-UHFFFAOYSA-N 2 2 265.426 2.687 20 30 CFEDLP CC(=NNc1cc[nH+]cc1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000779809309 628408741 /nfs/dbraw/zinc/40/87/41/628408741.db2.gz OMOKVLVSUOJVGB-UHFFFAOYSA-N 2 2 291.358 2.834 20 30 CFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC2CCCCC2)cc1 ZINC000781613858 628566357 /nfs/dbraw/zinc/56/63/57/628566357.db2.gz FXZPWGOTTOHHAF-UHFFFAOYSA-N 2 2 289.423 2.965 20 30 CFEDLP C[C@@H](C#N)Oc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000809753523 631281579 /nfs/dbraw/zinc/28/15/79/631281579.db2.gz VIXYECLBSVMABX-HNNXBMFYSA-N 2 2 298.390 2.696 20 30 CFEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000809753523 631281583 /nfs/dbraw/zinc/28/15/83/631281583.db2.gz VIXYECLBSVMABX-HNNXBMFYSA-N 2 2 298.390 2.696 20 30 CFEDLP C#C[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843408543 631946824 /nfs/dbraw/zinc/94/68/24/631946824.db2.gz GXLHNYKENUKMAS-WBVHZDCISA-N 2 2 268.404 2.795 20 30 CFEDLP C#C[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843408543 631946828 /nfs/dbraw/zinc/94/68/28/631946828.db2.gz GXLHNYKENUKMAS-WBVHZDCISA-N 2 2 268.404 2.795 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000815652746 632307219 /nfs/dbraw/zinc/30/72/19/632307219.db2.gz QBQVMJOCQPPDMB-MRXNPFEDSA-N 2 2 280.362 2.961 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000815652746 632307222 /nfs/dbraw/zinc/30/72/22/632307222.db2.gz QBQVMJOCQPPDMB-MRXNPFEDSA-N 2 2 280.362 2.961 20 30 CFEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CC)cc1 ZINC000113313860 635531672 /nfs/dbraw/zinc/53/16/72/635531672.db2.gz IVFCNXUEKNBGTM-QGZVFWFLSA-N 2 2 286.419 2.663 20 30 CFEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000113313860 635531676 /nfs/dbraw/zinc/53/16/76/635531676.db2.gz IVFCNXUEKNBGTM-QGZVFWFLSA-N 2 2 286.419 2.663 20 30 CFEDLP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285130 636175852 /nfs/dbraw/zinc/17/58/52/636175852.db2.gz GYWDABCGMPIKOH-GOSISDBHSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285130 636175855 /nfs/dbraw/zinc/17/58/55/636175855.db2.gz GYWDABCGMPIKOH-GOSISDBHSA-N 2 2 268.404 2.774 20 30 CFEDLP Cc1cc(N[NH+]=C2CCCNc3ccccc32)cc[nH+]1 ZINC000863159407 637574492 /nfs/dbraw/zinc/57/44/92/637574492.db2.gz PRJKEQBGVYTAOC-UHFFFAOYSA-N 2 2 266.348 2.834 20 30 CFEDLP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866258984 638782169 /nfs/dbraw/zinc/78/21/69/638782169.db2.gz FAOQFMJZBJUCTH-CYBMUJFWSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230011 642082758 /nfs/dbraw/zinc/08/27/58/642082758.db2.gz KTZKZCGTBKWSQY-IAGOWNOFSA-N 2 2 272.392 2.626 20 30 CFEDLP CC1(C)CC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)[NH2+]C1 ZINC000873234319 642087151 /nfs/dbraw/zinc/08/71/51/642087151.db2.gz DTJVIGUWHIGFEJ-DOTOQJQBSA-N 2 2 283.419 2.913 20 30 CFEDLP C#CCCCCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000877620804 643406273 /nfs/dbraw/zinc/40/62/73/643406273.db2.gz JKNPJXZZUWUIBH-SFHVURJKSA-N 2 2 292.467 2.757 20 30 CFEDLP C#CCCCCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000877620804 643406276 /nfs/dbraw/zinc/40/62/76/643406276.db2.gz JKNPJXZZUWUIBH-SFHVURJKSA-N 2 2 292.467 2.757 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000924668312 648023337 /nfs/dbraw/zinc/02/33/37/648023337.db2.gz SXESZTDRXSBJHT-AWEZNQCLSA-N 2 2 251.418 2.636 20 30 CFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000925025571 648089774 /nfs/dbraw/zinc/08/97/74/648089774.db2.gz DANFQUXLSBMLRD-ZIAGYGMSSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000925025571 648089776 /nfs/dbraw/zinc/08/97/76/648089776.db2.gz DANFQUXLSBMLRD-ZIAGYGMSSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925619624 648242771 /nfs/dbraw/zinc/24/27/71/648242771.db2.gz PTDQGAOHLTUGQP-UNEWFSDZSA-N 2 2 287.407 2.598 20 30 CFEDLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000925815069 648332195 /nfs/dbraw/zinc/33/21/95/648332195.db2.gz STWJVHOOSJFEPI-UGSOOPFHSA-N 2 2 297.377 2.745 20 30 CFEDLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@@H]1C#N ZINC001167833534 776570069 /nfs/dbraw/zinc/57/00/69/776570069.db2.gz CAXFNVGLDVOZTM-LSDHHAIUSA-N 2 2 251.418 2.875 20 30 CFEDLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@H]1C#N ZINC001167833534 776570075 /nfs/dbraw/zinc/57/00/75/776570075.db2.gz CAXFNVGLDVOZTM-LSDHHAIUSA-N 2 2 251.418 2.875 20 30 CFEDLP C=CCC[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001268387369 776777577 /nfs/dbraw/zinc/77/75/77/776777577.db2.gz OIEUJYWMIRJHCW-ZDUSSCGKSA-N 2 2 289.423 2.681 20 30 CFEDLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(C#N)ccn1 ZINC001232480230 777575928 /nfs/dbraw/zinc/57/59/28/777575928.db2.gz PTGNGOFEZWKYGJ-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cc(C#N)ccn1 ZINC001232480230 777575931 /nfs/dbraw/zinc/57/59/31/777575931.db2.gz PTGNGOFEZWKYGJ-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232480230 777575936 /nfs/dbraw/zinc/57/59/36/777575936.db2.gz PTGNGOFEZWKYGJ-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001232480230 777575943 /nfs/dbraw/zinc/57/59/43/777575943.db2.gz PTGNGOFEZWKYGJ-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP N#Cc1ccc2c(C[N@@H+]3CCCC[C@@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235118820 778390108 /nfs/dbraw/zinc/39/01/08/778390108.db2.gz HJRGBSNKZJTAOX-SFHVURJKSA-N 2 2 294.402 2.758 20 30 CFEDLP N#Cc1ccc2c(C[N@H+]3CCCC[C@@]34CC[NH2+]C4)c[nH]c2c1 ZINC001235118820 778390116 /nfs/dbraw/zinc/39/01/16/778390116.db2.gz HJRGBSNKZJTAOX-SFHVURJKSA-N 2 2 294.402 2.758 20 30 CFEDLP C#CCOc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235167949 778401672 /nfs/dbraw/zinc/40/16/72/778401672.db2.gz OWZYLJSLONZBJZ-LJQANCHMSA-N 2 2 298.430 2.807 20 30 CFEDLP C#CCOc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235167949 778401675 /nfs/dbraw/zinc/40/16/75/778401675.db2.gz OWZYLJSLONZBJZ-LJQANCHMSA-N 2 2 298.430 2.807 20 30 CFEDLP C(#CC1CC[NH+](C[C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC001236303873 778767831 /nfs/dbraw/zinc/76/78/31/778767831.db2.gz TWALHPNXMKKBJO-GOSISDBHSA-N 2 2 268.404 2.502 20 30 CFEDLP C#CCOc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237153447 779028749 /nfs/dbraw/zinc/02/87/49/779028749.db2.gz FLNMYOYUZPSCDB-GOSISDBHSA-N 2 2 298.430 2.805 20 30 CFEDLP C#CCOc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237153447 779028756 /nfs/dbraw/zinc/02/87/56/779028756.db2.gz FLNMYOYUZPSCDB-GOSISDBHSA-N 2 2 298.430 2.805 20 30 CFEDLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccnc(C#N)c1 ZINC001237467154 779114889 /nfs/dbraw/zinc/11/48/89/779114889.db2.gz RVAFZQHWFNQZMB-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccnc(C#N)c1 ZINC001237467154 779114892 /nfs/dbraw/zinc/11/48/92/779114892.db2.gz RVAFZQHWFNQZMB-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC001237467154 779114896 /nfs/dbraw/zinc/11/48/96/779114896.db2.gz RVAFZQHWFNQZMB-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC001237467154 779114899 /nfs/dbraw/zinc/11/48/99/779114899.db2.gz RVAFZQHWFNQZMB-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](SC)C2)CC1 ZINC000921702142 780182075 /nfs/dbraw/zinc/18/20/75/780182075.db2.gz HCVNCRGJYBHWQJ-GJZGRUSLSA-N 2 2 268.470 2.901 20 30 CFEDLP N#Cc1cc(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241659003 781052365 /nfs/dbraw/zinc/05/23/65/781052365.db2.gz SMIMEJOQQVRDCP-SFHVURJKSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001241659003 781052374 /nfs/dbraw/zinc/05/23/74/781052374.db2.gz SMIMEJOQQVRDCP-SFHVURJKSA-N 2 2 295.361 2.897 20 30 CFEDLP C#Cc1cccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241919272 781181550 /nfs/dbraw/zinc/18/15/50/781181550.db2.gz DJMIAELEYOOELH-IBGZPJMESA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1cccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241919272 781181555 /nfs/dbraw/zinc/18/15/55/781181555.db2.gz DJMIAELEYOOELH-IBGZPJMESA-N 2 2 276.383 2.868 20 30 CFEDLP N#Cc1cc(F)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242584282 781617383 /nfs/dbraw/zinc/61/73/83/781617383.db2.gz JGSKLDUKACNXNW-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242584282 781617389 /nfs/dbraw/zinc/61/73/89/781617389.db2.gz JGSKLDUKACNXNW-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP C[C@@H]1CC(=O)C=C(c2cccc(C[NH+]3CCC([NH3+])CC3)c2)C1 ZINC001242743736 781736966 /nfs/dbraw/zinc/73/69/66/781736966.db2.gz ARYSFMXTMOKAQT-AWEZNQCLSA-N 2 2 298.430 2.992 20 30 CFEDLP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1C#N ZINC000594967552 349534005 /nfs/dbraw/zinc/53/40/05/349534005.db2.gz TZDMTTLLIBDZBP-HNNXBMFYSA-N 2 2 287.407 2.529 20 30 CFEDLP COc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)ccc1C#N ZINC000594967552 349534013 /nfs/dbraw/zinc/53/40/13/349534013.db2.gz TZDMTTLLIBDZBP-HNNXBMFYSA-N 2 2 287.407 2.529 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595009212 349546960 /nfs/dbraw/zinc/54/69/60/349546960.db2.gz BEACLBCTFVDKPM-CQSZACIVSA-N 2 2 296.455 2.594 20 30 CFEDLP N#Cc1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000595348072 349608698 /nfs/dbraw/zinc/60/86/98/349608698.db2.gz YQTMAQHMQBXRGZ-UHFFFAOYSA-N 2 2 280.375 2.634 20 30 CFEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(C#N)c1F)C2 ZINC000595505682 349645579 /nfs/dbraw/zinc/64/55/79/349645579.db2.gz XDEDZCZQYCLGMC-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(C#N)c1F)C2 ZINC000595505682 349645580 /nfs/dbraw/zinc/64/55/80/349645580.db2.gz XDEDZCZQYCLGMC-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C#N)c1F)C2 ZINC000595505682 349645582 /nfs/dbraw/zinc/64/55/82/349645582.db2.gz XDEDZCZQYCLGMC-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000595505682 349645583 /nfs/dbraw/zinc/64/55/83/349645583.db2.gz XDEDZCZQYCLGMC-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1F)C2 ZINC000595508210 349645764 /nfs/dbraw/zinc/64/57/64/349645764.db2.gz VNIDTSFBAROUGD-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1F)C2 ZINC000595508210 349645768 /nfs/dbraw/zinc/64/57/68/349645768.db2.gz VNIDTSFBAROUGD-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1F)C2 ZINC000595508210 349645773 /nfs/dbraw/zinc/64/57/73/349645773.db2.gz VNIDTSFBAROUGD-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC000595508210 349645777 /nfs/dbraw/zinc/64/57/77/349645777.db2.gz VNIDTSFBAROUGD-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595894754 349763027 /nfs/dbraw/zinc/76/30/27/349763027.db2.gz WTBUUZBZSXJPHD-GFCCVEGCSA-N 2 2 297.324 2.618 20 30 CFEDLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595894754 349763030 /nfs/dbraw/zinc/76/30/30/349763030.db2.gz WTBUUZBZSXJPHD-GFCCVEGCSA-N 2 2 297.324 2.618 20 30 CFEDLP N#Cc1ccc(CC[N@@H+]2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000595894331 349763125 /nfs/dbraw/zinc/76/31/25/349763125.db2.gz YIGWNXNVSOLBHK-IBGZPJMESA-N 2 2 291.398 2.659 20 30 CFEDLP N#Cc1ccc(CC[N@H+]2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000595894331 349763128 /nfs/dbraw/zinc/76/31/28/349763128.db2.gz YIGWNXNVSOLBHK-IBGZPJMESA-N 2 2 291.398 2.659 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917657 346335750 /nfs/dbraw/zinc/33/57/50/346335750.db2.gz AKWRRPLWNQWBPG-SJORKVTESA-N 2 2 269.392 2.522 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917657 346335752 /nfs/dbraw/zinc/33/57/52/346335752.db2.gz AKWRRPLWNQWBPG-SJORKVTESA-N 2 2 269.392 2.522 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188445 346697778 /nfs/dbraw/zinc/69/77/78/346697778.db2.gz DHJYTOVNINOWRK-IRXDYDNUSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063188445 346697779 /nfs/dbraw/zinc/69/77/79/346697779.db2.gz DHJYTOVNINOWRK-IRXDYDNUSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080974468 347391934 /nfs/dbraw/zinc/39/19/34/347391934.db2.gz BHPXPBZYUPGIST-OAHLLOKOSA-N 2 2 266.348 2.661 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080974468 347391935 /nfs/dbraw/zinc/39/19/35/347391935.db2.gz BHPXPBZYUPGIST-OAHLLOKOSA-N 2 2 266.348 2.661 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000080980712 347393460 /nfs/dbraw/zinc/39/34/60/347393460.db2.gz XVSVNZVEMLGPQQ-UHFFFAOYSA-N 2 2 285.395 2.719 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073085 347608965 /nfs/dbraw/zinc/60/89/65/347608965.db2.gz IGRRLUAITKIIPP-INIZCTEOSA-N 2 2 295.386 2.801 20 30 CFEDLP C#CCOc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073085 347608969 /nfs/dbraw/zinc/60/89/69/347608969.db2.gz IGRRLUAITKIIPP-INIZCTEOSA-N 2 2 295.386 2.801 20 30 CFEDLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)Cc2ccccc2C1 ZINC000361432481 348507116 /nfs/dbraw/zinc/50/71/16/348507116.db2.gz OTWPJMSEHVFFRY-YJBOKZPZSA-N 2 2 297.446 2.758 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000589350021 348829392 /nfs/dbraw/zinc/82/93/92/348829392.db2.gz UFLQOKCKFAKOLW-GDBMZVCRSA-N 2 2 292.386 2.806 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000589350021 348829398 /nfs/dbraw/zinc/82/93/98/348829398.db2.gz UFLQOKCKFAKOLW-GDBMZVCRSA-N 2 2 292.386 2.806 20 30 CFEDLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000590648791 348920738 /nfs/dbraw/zinc/92/07/38/348920738.db2.gz DSJJAHHNRXTCFS-HZPDHXFCSA-N 2 2 285.435 2.831 20 30 CFEDLP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](C#N)CCC#N ZINC000591769545 349042759 /nfs/dbraw/zinc/04/27/59/349042759.db2.gz QBWYMJJHJDZVGD-CVEARBPZSA-N 2 2 276.428 2.530 20 30 CFEDLP CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000591573479 349030941 /nfs/dbraw/zinc/03/09/41/349030941.db2.gz ZVOYHQDTLRBERD-CABCVRRESA-N 2 2 277.799 2.832 20 30 CFEDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCC[C@H](C#N)C3)cn21 ZINC000592402560 349116873 /nfs/dbraw/zinc/11/68/73/349116873.db2.gz JCNJSCRJDBJUDK-LSDHHAIUSA-N 2 2 282.391 2.857 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000593126615 349216972 /nfs/dbraw/zinc/21/69/72/349216972.db2.gz LDGHQEDFCRMCJQ-UHFFFAOYSA-N 2 2 280.375 2.859 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000593126615 349216976 /nfs/dbraw/zinc/21/69/76/349216976.db2.gz LDGHQEDFCRMCJQ-UHFFFAOYSA-N 2 2 280.375 2.859 20 30 CFEDLP CC(C)(C)[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000593653815 349305229 /nfs/dbraw/zinc/30/52/29/349305229.db2.gz ZUVGPYSLXOGANP-UHFFFAOYSA-N 2 2 263.429 2.923 20 30 CFEDLP Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C#N ZINC000599307632 350411280 /nfs/dbraw/zinc/41/12/80/350411280.db2.gz WAXJRBRMQKCZDI-UHFFFAOYSA-N 2 2 280.375 2.969 20 30 CFEDLP C[NH+](C)[C@H](C[NH2+]C1CCC(C#N)CC1)Cc1ccccc1 ZINC000602503333 350906938 /nfs/dbraw/zinc/90/69/38/350906938.db2.gz MLTXYUCAELNWJN-ABHNRTSZSA-N 2 2 285.435 2.831 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000602527138 350914731 /nfs/dbraw/zinc/91/47/31/350914731.db2.gz ZSQFJNJTADLOHC-CABCVRRESA-N 2 2 251.418 2.636 20 30 CFEDLP Cc1cccc2[nH+]c(CC[NH2+]C[C@@H](C)CCC#N)cn21 ZINC000602699779 350986219 /nfs/dbraw/zinc/98/62/19/350986219.db2.gz OIJSRYDTWGXFQP-ZDUSSCGKSA-N 2 2 270.380 2.715 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000602704917 350989098 /nfs/dbraw/zinc/98/90/98/350989098.db2.gz HXKRCRAKXONAIM-HUUCEWRRSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000602704917 350989102 /nfs/dbraw/zinc/98/91/02/350989102.db2.gz HXKRCRAKXONAIM-HUUCEWRRSA-N 2 2 293.455 2.548 20 30 CFEDLP N#CCC1(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)CC1 ZINC000602835179 351041327 /nfs/dbraw/zinc/04/13/27/351041327.db2.gz GUWCVWKHZJECGV-UHFFFAOYSA-N 2 2 283.419 2.934 20 30 CFEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000603432905 351164134 /nfs/dbraw/zinc/16/41/34/351164134.db2.gz KCBCLIMMBFVRND-IOASZLSFSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000603432905 351164138 /nfs/dbraw/zinc/16/41/38/351164138.db2.gz KCBCLIMMBFVRND-IOASZLSFSA-N 2 2 257.381 2.506 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cncs2)CC1 ZINC000152978517 188056953 /nfs/dbraw/zinc/05/69/53/188056953.db2.gz INOGHHIJHUWHTJ-GFCCVEGCSA-N 2 2 265.426 2.834 20 30 CFEDLP C#CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156981665 188290360 /nfs/dbraw/zinc/29/03/60/188290360.db2.gz RHPZRZDOAVVESL-RDJZCZTQSA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156981665 188290361 /nfs/dbraw/zinc/29/03/61/188290361.db2.gz RHPZRZDOAVVESL-RDJZCZTQSA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156981665 188290362 /nfs/dbraw/zinc/29/03/62/188290362.db2.gz RHPZRZDOAVVESL-RDJZCZTQSA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156981665 188290363 /nfs/dbraw/zinc/29/03/63/188290363.db2.gz RHPZRZDOAVVESL-RDJZCZTQSA-N 2 2 256.393 2.605 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622006209 353465423 /nfs/dbraw/zinc/46/54/23/353465423.db2.gz WJRZVPDNULNRHB-WBVHZDCISA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622006209 353465427 /nfs/dbraw/zinc/46/54/27/353465427.db2.gz WJRZVPDNULNRHB-WBVHZDCISA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622005808 353465514 /nfs/dbraw/zinc/46/55/14/353465514.db2.gz MRWMACVMPLPKLF-NVXWUHKLSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622005808 353465516 /nfs/dbraw/zinc/46/55/16/353465516.db2.gz MRWMACVMPLPKLF-NVXWUHKLSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631583919 355502738 /nfs/dbraw/zinc/50/27/38/355502738.db2.gz ZBKQGCHULTYMPF-QGZVFWFLSA-N 2 2 271.408 2.699 20 30 CFEDLP COc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1C#N ZINC000177589415 189059236 /nfs/dbraw/zinc/05/92/36/189059236.db2.gz JZWPOLKPLHAYBD-UHFFFAOYSA-N 2 2 296.374 2.554 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@@H]21 ZINC000180734302 189272337 /nfs/dbraw/zinc/27/23/37/189272337.db2.gz HBADUERTJFISDU-DOMZBBRYSA-N 2 2 275.421 2.536 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@@H]21 ZINC000180734302 189272338 /nfs/dbraw/zinc/27/23/38/189272338.db2.gz HBADUERTJFISDU-DOMZBBRYSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@@H]21 ZINC000180734302 189272339 /nfs/dbraw/zinc/27/23/39/189272339.db2.gz HBADUERTJFISDU-DOMZBBRYSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]21 ZINC000180734302 189272340 /nfs/dbraw/zinc/27/23/40/189272340.db2.gz HBADUERTJFISDU-DOMZBBRYSA-N 2 2 275.421 2.536 20 30 CFEDLP Cc1cc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)ccc1C#N ZINC000443998690 241104733 /nfs/dbraw/zinc/10/47/33/241104733.db2.gz QVLNPTYQZORYIT-UHFFFAOYSA-N 2 2 269.392 2.608 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000574410391 335017624 /nfs/dbraw/zinc/01/76/24/335017624.db2.gz JFVNJZSVCNVUNA-OKZBNKHCSA-N 2 2 295.430 2.790 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000574410391 335017625 /nfs/dbraw/zinc/01/76/25/335017625.db2.gz JFVNJZSVCNVUNA-OKZBNKHCSA-N 2 2 295.430 2.790 20 30 CFEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000054183896 373504880 /nfs/dbraw/zinc/50/48/80/373504880.db2.gz AOPBUSMTVBGEDO-QGZVFWFLSA-N 2 2 285.435 2.975 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2C#N)CC[N@@H+]1C ZINC000123535273 220211735 /nfs/dbraw/zinc/21/17/35/220211735.db2.gz GXEKYWVGXBZBNL-BLLLJJGKSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2C#N)CC[N@H+]1C ZINC000123535273 220211739 /nfs/dbraw/zinc/21/17/39/220211739.db2.gz GXEKYWVGXBZBNL-BLLLJJGKSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)CC[NH+]1C ZINC000123535273 220211741 /nfs/dbraw/zinc/21/17/41/220211741.db2.gz GXEKYWVGXBZBNL-BLLLJJGKSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)CC[NH+]1C ZINC000123535273 220211744 /nfs/dbraw/zinc/21/17/44/220211744.db2.gz GXEKYWVGXBZBNL-BLLLJJGKSA-N 2 2 275.371 2.612 20 30 CFEDLP C#CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644611 375280924 /nfs/dbraw/zinc/28/09/24/375280924.db2.gz MHKBPZWBRNLSIU-WBVHZDCISA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644611 375280928 /nfs/dbraw/zinc/28/09/28/375280928.db2.gz MHKBPZWBRNLSIU-WBVHZDCISA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644611 375280932 /nfs/dbraw/zinc/28/09/32/375280932.db2.gz MHKBPZWBRNLSIU-WBVHZDCISA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644611 375280939 /nfs/dbraw/zinc/28/09/39/375280939.db2.gz MHKBPZWBRNLSIU-WBVHZDCISA-N 2 2 286.419 2.613 20 30 CFEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(C#N)cs1 ZINC000093660184 375289972 /nfs/dbraw/zinc/28/99/72/375289972.db2.gz MOKPLKMMRKXJTM-AWEZNQCLSA-N 2 2 277.437 2.926 20 30 CFEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(C#N)cs1 ZINC000093660184 375289979 /nfs/dbraw/zinc/28/99/79/375289979.db2.gz MOKPLKMMRKXJTM-AWEZNQCLSA-N 2 2 277.437 2.926 20 30 CFEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(C#N)cs1 ZINC000093660184 375289984 /nfs/dbraw/zinc/28/99/84/375289984.db2.gz MOKPLKMMRKXJTM-AWEZNQCLSA-N 2 2 277.437 2.926 20 30 CFEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(C#N)cs1 ZINC000093660184 375289987 /nfs/dbraw/zinc/28/99/87/375289987.db2.gz MOKPLKMMRKXJTM-AWEZNQCLSA-N 2 2 277.437 2.926 20 30 CFEDLP CC#CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120023067 376529258 /nfs/dbraw/zinc/52/92/58/376529258.db2.gz YPVIKKMYZXEXHS-UHFFFAOYSA-N 2 2 256.393 2.606 20 30 CFEDLP CC#CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000120023067 376529265 /nfs/dbraw/zinc/52/92/65/376529265.db2.gz YPVIKKMYZXEXHS-UHFFFAOYSA-N 2 2 256.393 2.606 20 30 CFEDLP C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000120584869 376645078 /nfs/dbraw/zinc/64/50/78/376645078.db2.gz ZFULXFHZLNWSPG-SJLPKXTDSA-N 2 2 288.435 2.832 20 30 CFEDLP C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000120584869 376645084 /nfs/dbraw/zinc/64/50/84/376645084.db2.gz ZFULXFHZLNWSPG-SJLPKXTDSA-N 2 2 288.435 2.832 20 30 CFEDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174273401 379855808 /nfs/dbraw/zinc/85/58/08/379855808.db2.gz UWGRFDRWUNHOCO-KBPBESRZSA-N 2 2 275.396 2.609 20 30 CFEDLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(C#N)o1)C(C)(C)C ZINC000174403120 379879261 /nfs/dbraw/zinc/87/92/61/379879261.db2.gz DVHDLLYGUFSTDK-CQSZACIVSA-N 2 2 263.385 2.607 20 30 CFEDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000335918179 380105435 /nfs/dbraw/zinc/10/54/35/380105435.db2.gz CGSLVMTXOCHTGE-MRXNPFEDSA-N 2 2 289.810 2.739 20 30 CFEDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000335918179 380105441 /nfs/dbraw/zinc/10/54/41/380105441.db2.gz CGSLVMTXOCHTGE-MRXNPFEDSA-N 2 2 289.810 2.739 20 30 CFEDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000335918179 380105448 /nfs/dbraw/zinc/10/54/48/380105448.db2.gz CGSLVMTXOCHTGE-MRXNPFEDSA-N 2 2 289.810 2.739 20 30 CFEDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000335918179 380105456 /nfs/dbraw/zinc/10/54/56/380105456.db2.gz CGSLVMTXOCHTGE-MRXNPFEDSA-N 2 2 289.810 2.739 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)CC1 ZINC000336542048 380441485 /nfs/dbraw/zinc/44/14/85/380441485.db2.gz JILGIOQVERVGCD-ZDUSSCGKSA-N 2 2 263.410 2.536 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000336542048 380441490 /nfs/dbraw/zinc/44/14/90/380441490.db2.gz JILGIOQVERVGCD-ZDUSSCGKSA-N 2 2 263.410 2.536 20 30 CFEDLP C=C(C)C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000279256261 194355261 /nfs/dbraw/zinc/35/52/61/194355261.db2.gz HQNREERBDAVJKF-UHFFFAOYSA-N 2 2 255.365 2.961 20 30 CFEDLP C=C(C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000279256261 194355263 /nfs/dbraw/zinc/35/52/63/194355263.db2.gz HQNREERBDAVJKF-UHFFFAOYSA-N 2 2 255.365 2.961 20 30 CFEDLP Cc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1C#N ZINC000347121497 380953584 /nfs/dbraw/zinc/95/35/84/380953584.db2.gz GBUYAXSEFFOQEZ-SFHVURJKSA-N 2 2 293.370 2.915 20 30 CFEDLP Cc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1C#N ZINC000347121497 380953594 /nfs/dbraw/zinc/95/35/94/380953594.db2.gz GBUYAXSEFFOQEZ-SFHVURJKSA-N 2 2 293.370 2.915 20 30 CFEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368409854 381016463 /nfs/dbraw/zinc/01/64/63/381016463.db2.gz HSTMRTXEHQBNTM-IAGOWNOFSA-N 2 2 288.435 2.566 20 30 CFEDLP C=CC[C@H](CO)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368409854 381016467 /nfs/dbraw/zinc/01/64/67/381016467.db2.gz HSTMRTXEHQBNTM-IAGOWNOFSA-N 2 2 288.435 2.566 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC(C)(C)C#N ZINC000354043386 381042145 /nfs/dbraw/zinc/04/21/45/381042145.db2.gz XNMQEYUGOPDYLG-UHFFFAOYSA-N 2 2 283.379 2.557 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC(C)(C)C#N ZINC000354043386 381042154 /nfs/dbraw/zinc/04/21/54/381042154.db2.gz XNMQEYUGOPDYLG-UHFFFAOYSA-N 2 2 283.379 2.557 20 30 CFEDLP N#Cc1cccc(CC[NH2+]Cc2cccc3[nH+]ccn32)c1 ZINC000341486320 381043168 /nfs/dbraw/zinc/04/31/68/381043168.db2.gz NJCTVXNUQISCTE-UHFFFAOYSA-N 2 2 276.343 2.538 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2nccn2C)CC1 ZINC000182870589 381177245 /nfs/dbraw/zinc/17/72/45/381177245.db2.gz VXQNUDJWAORXMZ-HNNXBMFYSA-N 2 2 276.428 2.501 20 30 CFEDLP Cc1ccc(CCC[NH2+]CCOc2ccc(C#N)cc2)c[nH+]1 ZINC000354459085 381284979 /nfs/dbraw/zinc/28/49/79/381284979.db2.gz KMHJXUBDXLTJIQ-UHFFFAOYSA-N 2 2 295.386 2.863 20 30 CFEDLP C#C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000290227975 381349269 /nfs/dbraw/zinc/34/92/69/381349269.db2.gz SNSKRLWKXAVTSU-OAHLLOKOSA-N 2 2 271.408 2.688 20 30 CFEDLP CC[NH+]1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000342812221 381560325 /nfs/dbraw/zinc/56/03/25/381560325.db2.gz JWUXGKVIUQSTOS-UHFFFAOYSA-N 2 2 269.392 2.621 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000371529655 381651444 /nfs/dbraw/zinc/65/14/44/381651444.db2.gz UCFMZSZITQIDPG-UWWQBHOKSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000371529655 381651452 /nfs/dbraw/zinc/65/14/52/381651452.db2.gz UCFMZSZITQIDPG-UWWQBHOKSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000371529655 381651456 /nfs/dbraw/zinc/65/14/56/381651456.db2.gz UCFMZSZITQIDPG-UWWQBHOKSA-N 2 2 299.418 2.503 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000371529655 381651465 /nfs/dbraw/zinc/65/14/65/381651465.db2.gz UCFMZSZITQIDPG-UWWQBHOKSA-N 2 2 299.418 2.503 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000185813086 381741578 /nfs/dbraw/zinc/74/15/78/381741578.db2.gz MUFDKYKRVNOWAN-HUUCEWRRSA-N 2 2 272.396 2.946 20 30 CFEDLP CC[N@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361830899 381866213 /nfs/dbraw/zinc/86/62/13/381866213.db2.gz SWNANMYTHMSDOE-UHFFFAOYSA-N 2 2 268.364 2.916 20 30 CFEDLP CC[N@@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361830899 381866219 /nfs/dbraw/zinc/86/62/19/381866219.db2.gz SWNANMYTHMSDOE-UHFFFAOYSA-N 2 2 268.364 2.916 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C[C@H]1C ZINC000361837022 381866240 /nfs/dbraw/zinc/86/62/40/381866240.db2.gz JFIBJMCZWPYWHF-SJLPKXTDSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccccc2)C[C@H]1C ZINC000361837022 381866243 /nfs/dbraw/zinc/86/62/43/381866243.db2.gz JFIBJMCZWPYWHF-SJLPKXTDSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccccc2)C[C@H]1C ZINC000361837022 381866250 /nfs/dbraw/zinc/86/62/50/381866250.db2.gz JFIBJMCZWPYWHF-SJLPKXTDSA-N 2 2 270.420 2.843 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C[C@H]1C ZINC000361837022 381866255 /nfs/dbraw/zinc/86/62/55/381866255.db2.gz JFIBJMCZWPYWHF-SJLPKXTDSA-N 2 2 270.420 2.843 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000361890934 381871366 /nfs/dbraw/zinc/87/13/66/381871366.db2.gz VSFFASGDXACVDX-SOLBZPMBSA-N 2 2 292.467 2.822 20 30 CFEDLP C#C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000289369324 197314651 /nfs/dbraw/zinc/31/46/51/197314651.db2.gz LFGRQJLEGRYTHE-ZDUSSCGKSA-N 2 2 276.811 2.916 20 30 CFEDLP C=CCCCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376057377 382118601 /nfs/dbraw/zinc/11/86/01/382118601.db2.gz YWMRYKBTEQACAI-MSOLQXFVSA-N 2 2 293.499 2.691 20 30 CFEDLP C=CCCCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376057377 382118605 /nfs/dbraw/zinc/11/86/05/382118605.db2.gz YWMRYKBTEQACAI-MSOLQXFVSA-N 2 2 293.499 2.691 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000344161622 382171266 /nfs/dbraw/zinc/17/12/66/382171266.db2.gz GULDYMMSIFRIQL-IGCXYCKISA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1cccc(C#N)c1 ZINC000344161622 382171277 /nfs/dbraw/zinc/17/12/77/382171277.db2.gz GULDYMMSIFRIQL-IGCXYCKISA-N 2 2 269.392 2.692 20 30 CFEDLP C=CCC[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352394528 382305858 /nfs/dbraw/zinc/30/58/58/382305858.db2.gz PNUIPIUUPMBJOM-UHFFFAOYSA-N 2 2 287.451 2.707 20 30 CFEDLP C=CCC[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000352394528 382305867 /nfs/dbraw/zinc/30/58/67/382305867.db2.gz PNUIPIUUPMBJOM-UHFFFAOYSA-N 2 2 287.451 2.707 20 30 CFEDLP C=C(C)CC[N@@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000352405535 382311842 /nfs/dbraw/zinc/31/18/42/382311842.db2.gz IIMRNSQBSYRYTL-SJORKVTESA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[N@H+](C)C[C@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000352405535 382311847 /nfs/dbraw/zinc/31/18/47/382311847.db2.gz IIMRNSQBSYRYTL-SJORKVTESA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[NH+](C)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000352405535 382311854 /nfs/dbraw/zinc/31/18/54/382311854.db2.gz IIMRNSQBSYRYTL-SJORKVTESA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(C)CC[NH+](C)C[C@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000352405535 382311860 /nfs/dbraw/zinc/31/18/60/382311860.db2.gz IIMRNSQBSYRYTL-SJORKVTESA-N 2 2 273.424 2.972 20 30 CFEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000378246900 382423725 /nfs/dbraw/zinc/42/37/25/382423725.db2.gz JQQHPFCGIVIAJW-AWEZNQCLSA-N 2 2 296.374 2.670 20 30 CFEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000378246900 382423733 /nfs/dbraw/zinc/42/37/33/382423733.db2.gz JQQHPFCGIVIAJW-AWEZNQCLSA-N 2 2 296.374 2.670 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352836455 382478160 /nfs/dbraw/zinc/47/81/60/382478160.db2.gz UNRTZYXZMRJYGG-ZDUSSCGKSA-N 2 2 297.324 2.761 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000194886197 382756970 /nfs/dbraw/zinc/75/69/70/382756970.db2.gz WGDOZSLZYZMMFF-ZDUSSCGKSA-N 2 2 260.381 2.693 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3F)CC[C@H]21 ZINC000227336156 382835899 /nfs/dbraw/zinc/83/58/99/382835899.db2.gz UPJVTLAGQOIFKK-NVXWUHKLSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3F)CC[C@H]21 ZINC000227336156 382835901 /nfs/dbraw/zinc/83/59/01/382835901.db2.gz UPJVTLAGQOIFKK-NVXWUHKLSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3F)CC[C@H]21 ZINC000227336156 382835903 /nfs/dbraw/zinc/83/59/03/382835903.db2.gz UPJVTLAGQOIFKK-NVXWUHKLSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC[C@H]21 ZINC000227336156 382835904 /nfs/dbraw/zinc/83/59/04/382835904.db2.gz UPJVTLAGQOIFKK-NVXWUHKLSA-N 2 2 287.382 2.613 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000535757853 382955243 /nfs/dbraw/zinc/95/52/43/382955243.db2.gz BMCYCRBJISDRAC-OAHLLOKOSA-N 2 2 299.805 2.915 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000535757853 382955246 /nfs/dbraw/zinc/95/52/46/382955246.db2.gz BMCYCRBJISDRAC-OAHLLOKOSA-N 2 2 299.805 2.915 20 30 CFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000544599992 382975724 /nfs/dbraw/zinc/97/57/24/382975724.db2.gz VHLXGCHVPYOBTQ-IIAWOOMASA-N 2 2 263.429 2.779 20 30 CFEDLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000446847408 382992422 /nfs/dbraw/zinc/99/24/22/382992422.db2.gz MGPLSLWPGUKYEI-HUUCEWRRSA-N 2 2 263.429 2.780 20 30 CFEDLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000446847408 382992426 /nfs/dbraw/zinc/99/24/26/382992426.db2.gz MGPLSLWPGUKYEI-HUUCEWRRSA-N 2 2 263.429 2.780 20 30 CFEDLP C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245571422 383009597 /nfs/dbraw/zinc/00/95/97/383009597.db2.gz GRUXVKWDYAGGDN-MAUKXSAKSA-N 2 2 297.377 2.957 20 30 CFEDLP C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245571422 383009603 /nfs/dbraw/zinc/00/96/03/383009603.db2.gz GRUXVKWDYAGGDN-MAUKXSAKSA-N 2 2 297.377 2.957 20 30 CFEDLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1F ZINC000423507153 383124916 /nfs/dbraw/zinc/12/49/16/383124916.db2.gz PRQPCRMGOSVMAI-MEDUHNTESA-N 2 2 275.371 2.865 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000554889460 383147012 /nfs/dbraw/zinc/14/70/12/383147012.db2.gz OJQCTHMMIRFRPH-PBHICJAKSA-N 2 2 280.375 2.713 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000246868399 383114665 /nfs/dbraw/zinc/11/46/65/383114665.db2.gz AWHBDTVIPVHHCB-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000246868399 383114668 /nfs/dbraw/zinc/11/46/68/383114668.db2.gz AWHBDTVIPVHHCB-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3C#N)CC[C@H]21 ZINC000248137802 383213367 /nfs/dbraw/zinc/21/33/67/383213367.db2.gz PFZJPZZLROYVRD-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(F)ccc3C#N)CC[C@H]21 ZINC000248137802 383213369 /nfs/dbraw/zinc/21/33/69/383213369.db2.gz PFZJPZZLROYVRD-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3C#N)CC[C@H]21 ZINC000248137802 383213371 /nfs/dbraw/zinc/21/33/71/383213371.db2.gz PFZJPZZLROYVRD-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3C#N)CC[C@H]21 ZINC000248137802 383213373 /nfs/dbraw/zinc/21/33/73/383213373.db2.gz PFZJPZZLROYVRD-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+](CCC[NH2+]C[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000566615364 383193371 /nfs/dbraw/zinc/19/33/71/383193371.db2.gz KNJUQSOCRFAVNK-QGZVFWFLSA-N 2 2 284.407 2.542 20 30 CFEDLP C[N@@H+](CCC[NH2+]C[C@@H](C#N)CCC#N)Cc1ccccc1 ZINC000566615364 383193374 /nfs/dbraw/zinc/19/33/74/383193374.db2.gz KNJUQSOCRFAVNK-QGZVFWFLSA-N 2 2 284.407 2.542 20 30 CFEDLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449074593 383161925 /nfs/dbraw/zinc/16/19/25/383161925.db2.gz KVSIPGJOQZIXLT-FHERZECASA-N 2 2 263.429 2.923 20 30 CFEDLP CC1(C#N)CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000449076687 383163736 /nfs/dbraw/zinc/16/37/36/383163736.db2.gz XGUSIASQUPBKBV-UHFFFAOYSA-N 2 2 263.429 2.924 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C(C)C ZINC000449078922 383165092 /nfs/dbraw/zinc/16/50/92/383165092.db2.gz WVGVLHZLITWNHL-YLFCFFPRSA-N 2 2 280.456 2.841 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000437572603 383905758 /nfs/dbraw/zinc/90/57/58/383905758.db2.gz WFRVYRMACXFUNR-YJBOKZPZSA-N 2 2 288.410 2.982 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000437572603 383905767 /nfs/dbraw/zinc/90/57/67/383905767.db2.gz WFRVYRMACXFUNR-YJBOKZPZSA-N 2 2 288.410 2.982 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000437572603 383905776 /nfs/dbraw/zinc/90/57/76/383905776.db2.gz WFRVYRMACXFUNR-YJBOKZPZSA-N 2 2 288.410 2.982 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000437572603 383905784 /nfs/dbraw/zinc/90/57/84/383905784.db2.gz WFRVYRMACXFUNR-YJBOKZPZSA-N 2 2 288.410 2.982 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000268139291 384540606 /nfs/dbraw/zinc/54/06/06/384540606.db2.gz SDFPOPRUSHEFSR-DNVCBOLYSA-N 2 2 298.430 2.661 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000268139291 384540613 /nfs/dbraw/zinc/54/06/13/384540613.db2.gz SDFPOPRUSHEFSR-DNVCBOLYSA-N 2 2 298.430 2.661 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289220248 197267293 /nfs/dbraw/zinc/26/72/93/197267293.db2.gz CKTDMLWNDUUPIW-JWTNVVGKSA-N 2 2 298.430 2.756 20 30 CFEDLP C#CCOc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289220248 197267295 /nfs/dbraw/zinc/26/72/95/197267295.db2.gz CKTDMLWNDUUPIW-JWTNVVGKSA-N 2 2 298.430 2.756 20 30 CFEDLP C#CCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289220248 197267296 /nfs/dbraw/zinc/26/72/96/197267296.db2.gz CKTDMLWNDUUPIW-JWTNVVGKSA-N 2 2 298.430 2.756 20 30 CFEDLP C#CCOc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289220248 197267298 /nfs/dbraw/zinc/26/72/98/197267298.db2.gz CKTDMLWNDUUPIW-JWTNVVGKSA-N 2 2 298.430 2.756 20 30 CFEDLP C=CC[N@@H+](CCn1cc[nH+]c1C)Cc1cccc(C#N)c1 ZINC000270684625 385190057 /nfs/dbraw/zinc/19/00/57/385190057.db2.gz VWHKRALEFVXMBV-UHFFFAOYSA-N 2 2 280.375 2.751 20 30 CFEDLP C=CC[N@H+](CCn1cc[nH+]c1C)Cc1cccc(C#N)c1 ZINC000270684625 385190062 /nfs/dbraw/zinc/19/00/62/385190062.db2.gz VWHKRALEFVXMBV-UHFFFAOYSA-N 2 2 280.375 2.751 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000289097676 197234154 /nfs/dbraw/zinc/23/41/54/197234154.db2.gz BXPQOCROOQBLFT-GOSISDBHSA-N 2 2 270.420 2.898 20 30 CFEDLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1C#N ZINC000282377590 385296496 /nfs/dbraw/zinc/29/64/96/385296496.db2.gz QMZVBUMTGPMUNR-UHFFFAOYSA-N 2 2 296.374 2.600 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)c(F)c1 ZINC000271916393 385400038 /nfs/dbraw/zinc/40/00/38/385400038.db2.gz GOFPPUOBUMJMPL-AFAVFJNCSA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)c(F)c1 ZINC000271916393 385400041 /nfs/dbraw/zinc/40/00/41/385400041.db2.gz GOFPPUOBUMJMPL-AFAVFJNCSA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271937462 385406127 /nfs/dbraw/zinc/40/61/27/385406127.db2.gz NRQFPXOWWOPMRG-NEPJUHHUSA-N 2 2 272.327 2.633 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000272208388 385474913 /nfs/dbraw/zinc/47/49/13/385474913.db2.gz KGSOZODKSUPHSC-BBRMVZONSA-N 2 2 269.392 2.620 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000272208388 385474916 /nfs/dbraw/zinc/47/49/16/385474916.db2.gz KGSOZODKSUPHSC-BBRMVZONSA-N 2 2 269.392 2.620 20 30 CFEDLP C#CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272588926 385569690 /nfs/dbraw/zinc/56/96/90/385569690.db2.gz HPDVVYKWSBZTPY-HKUYNNGSSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272588926 385569692 /nfs/dbraw/zinc/56/96/92/385569692.db2.gz HPDVVYKWSBZTPY-HKUYNNGSSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272588926 385569696 /nfs/dbraw/zinc/56/96/96/385569696.db2.gz HPDVVYKWSBZTPY-HKUYNNGSSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272588926 385569697 /nfs/dbraw/zinc/56/96/97/385569697.db2.gz HPDVVYKWSBZTPY-HKUYNNGSSA-N 2 2 298.430 2.615 20 30 CFEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000364845347 262262536 /nfs/dbraw/zinc/26/25/36/262262536.db2.gz WDOZZDNSQNRFEZ-DOMZBBRYSA-N 2 2 279.815 2.634 20 30 CFEDLP C=CC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000281627190 195313740 /nfs/dbraw/zinc/31/37/40/195313740.db2.gz OBHKNYHQRQSUTE-HNNXBMFYSA-N 2 2 273.424 2.990 20 30 CFEDLP C[NH+](C)CC(C)(C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411825190 393751680 /nfs/dbraw/zinc/75/16/80/393751680.db2.gz XNWRBCAYWRSTSQ-UHFFFAOYSA-N 2 2 251.418 2.780 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000349295227 393966455 /nfs/dbraw/zinc/96/64/55/393966455.db2.gz AMNKNDYBRFNQBO-SPUZQDLCSA-N 2 2 283.419 2.789 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000349295227 393966460 /nfs/dbraw/zinc/96/64/60/393966460.db2.gz AMNKNDYBRFNQBO-SPUZQDLCSA-N 2 2 283.419 2.789 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271915336 394024863 /nfs/dbraw/zinc/02/48/63/394024863.db2.gz BXYCOTBJCQNYPU-NVGCLXPQSA-N 2 2 287.382 2.831 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271915336 394024864 /nfs/dbraw/zinc/02/48/64/394024864.db2.gz BXYCOTBJCQNYPU-NVGCLXPQSA-N 2 2 287.382 2.831 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000360338637 394148968 /nfs/dbraw/zinc/14/89/68/394148968.db2.gz QTUFWHSVOIOEGP-WBVHZDCISA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000360338637 394148971 /nfs/dbraw/zinc/14/89/71/394148971.db2.gz QTUFWHSVOIOEGP-WBVHZDCISA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000360338636 394149461 /nfs/dbraw/zinc/14/94/61/394149461.db2.gz QTUFWHSVOIOEGP-RDJZCZTQSA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000360338636 394149464 /nfs/dbraw/zinc/14/94/64/394149464.db2.gz QTUFWHSVOIOEGP-RDJZCZTQSA-N 2 2 283.419 2.790 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]CCCNc1cccc[nH+]1 ZINC000177590993 397609183 /nfs/dbraw/zinc/60/91/83/397609183.db2.gz PCCSYYWVXDZYLZ-UHFFFAOYSA-N 2 2 260.385 2.803 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H](C)C[NH2+]C)cc1Cl ZINC000663509456 413253337 /nfs/dbraw/zinc/25/33/37/413253337.db2.gz YGTYSMXWIHRYPV-NSHDSACASA-N 2 2 268.788 2.602 20 30 CFEDLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000344302911 162003554 /nfs/dbraw/zinc/00/35/54/162003554.db2.gz LKLMSGILTIPFMP-UHFFFAOYSA-N 2 2 283.419 2.912 20 30 CFEDLP N#Cc1csc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c1 ZINC000351567802 163148238 /nfs/dbraw/zinc/14/82/38/163148238.db2.gz JOSJTWMXEMCAKE-UHFFFAOYSA-N 2 2 295.371 2.872 20 30 CFEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC#Cc1ccc(F)cc1)C2 ZINC000660659068 413477532 /nfs/dbraw/zinc/47/75/32/413477532.db2.gz KCDKVDHPIHEGFI-SFHVURJKSA-N 2 2 286.394 2.595 20 30 CFEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC#Cc1ccc(F)cc1)C2 ZINC000660659068 413477541 /nfs/dbraw/zinc/47/75/41/413477541.db2.gz KCDKVDHPIHEGFI-SFHVURJKSA-N 2 2 286.394 2.595 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000660659068 413477549 /nfs/dbraw/zinc/47/75/49/413477549.db2.gz KCDKVDHPIHEGFI-SFHVURJKSA-N 2 2 286.394 2.595 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000660659068 413477557 /nfs/dbraw/zinc/47/75/57/413477557.db2.gz KCDKVDHPIHEGFI-SFHVURJKSA-N 2 2 286.394 2.595 20 30 CFEDLP C=CCC1([NH2+]Cc2cccc3[nH+]ccn32)CCOCC1 ZINC000657633594 413808692 /nfs/dbraw/zinc/80/86/92/413808692.db2.gz RMCXBHZPEBUEEE-UHFFFAOYSA-N 2 2 271.364 2.549 20 30 CFEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)COC ZINC000661243457 413847696 /nfs/dbraw/zinc/84/76/96/413847696.db2.gz KPLSTRNHGMJGJC-OAHLLOKOSA-N 2 2 285.391 2.895 20 30 CFEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C)COC ZINC000661243457 413847701 /nfs/dbraw/zinc/84/77/01/413847701.db2.gz KPLSTRNHGMJGJC-OAHLLOKOSA-N 2 2 285.391 2.895 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000657753278 413907023 /nfs/dbraw/zinc/90/70/23/413907023.db2.gz WDOYPQLOWVLDKX-PVAVHDDUSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000658018699 414106251 /nfs/dbraw/zinc/10/62/51/414106251.db2.gz FLEUOHPEKHSZGL-MCIONIFRSA-N 2 2 259.397 2.992 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000658018699 414106253 /nfs/dbraw/zinc/10/62/53/414106253.db2.gz FLEUOHPEKHSZGL-MCIONIFRSA-N 2 2 259.397 2.992 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106245577 260092328 /nfs/dbraw/zinc/09/23/28/260092328.db2.gz HVXFUGUBYKLFTE-UHFFFAOYSA-N 2 2 290.455 2.768 20 30 CFEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361460219 261280221 /nfs/dbraw/zinc/28/02/21/261280221.db2.gz SXHUQJPFGUPRGD-FZKCQIBNSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361460219 261280223 /nfs/dbraw/zinc/28/02/23/261280223.db2.gz SXHUQJPFGUPRGD-FZKCQIBNSA-N 2 2 263.429 2.921 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000361465050 261281231 /nfs/dbraw/zinc/28/12/31/261281231.db2.gz TXGKUVORNJWBQU-RBSFLKMASA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000361465050 261281232 /nfs/dbraw/zinc/28/12/32/261281232.db2.gz TXGKUVORNJWBQU-RBSFLKMASA-N 2 2 261.413 2.675 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000368570721 262075956 /nfs/dbraw/zinc/07/59/56/262075956.db2.gz YUJDHSUCSIPLIV-SQNIBIBYSA-N 2 2 292.467 2.822 20 30 CFEDLP C#Cc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000368584250 262095427 /nfs/dbraw/zinc/09/54/27/262095427.db2.gz VTQAYIDDDAXHEC-UHFFFAOYSA-N 2 2 268.404 2.728 20 30 CFEDLP C[NH+](CCC[N@@H+](C)CCC(C)(C)C#N)Cc1ccco1 ZINC000285507389 263093925 /nfs/dbraw/zinc/09/39/25/263093925.db2.gz DBKKXGTZCVCKMV-UHFFFAOYSA-N 2 2 277.412 2.973 20 30 CFEDLP C[NH+](CCC[N@H+](C)CCC(C)(C)C#N)Cc1ccco1 ZINC000285507389 263093926 /nfs/dbraw/zinc/09/39/26/263093926.db2.gz DBKKXGTZCVCKMV-UHFFFAOYSA-N 2 2 277.412 2.973 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCC(C)(C)C#N ZINC000285507389 263093927 /nfs/dbraw/zinc/09/39/27/263093927.db2.gz DBKKXGTZCVCKMV-UHFFFAOYSA-N 2 2 277.412 2.973 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCC(C)(C)C#N ZINC000285507389 263093928 /nfs/dbraw/zinc/09/39/28/263093928.db2.gz DBKKXGTZCVCKMV-UHFFFAOYSA-N 2 2 277.412 2.973 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000289474180 263110422 /nfs/dbraw/zinc/11/04/22/263110422.db2.gz XIDKPXDBSZWUCR-HNNXBMFYSA-N 2 2 298.390 2.677 20 30 CFEDLP C[N@@H+](CC#Cc1ccccc1Cl)CCCn1cc[nH+]c1 ZINC000341126765 263323220 /nfs/dbraw/zinc/32/32/20/263323220.db2.gz LTWZMWOEDWOETA-UHFFFAOYSA-N 2 2 287.794 2.910 20 30 CFEDLP C[N@H+](CC#Cc1ccccc1Cl)CCCn1cc[nH+]c1 ZINC000341126765 263323222 /nfs/dbraw/zinc/32/32/22/263323222.db2.gz LTWZMWOEDWOETA-UHFFFAOYSA-N 2 2 287.794 2.910 20 30 CFEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370494682 267323689 /nfs/dbraw/zinc/32/36/89/267323689.db2.gz INKHZVCDUWFAPZ-CVEARBPZSA-N 2 2 291.439 2.971 20 30 CFEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370494682 267323691 /nfs/dbraw/zinc/32/36/91/267323691.db2.gz INKHZVCDUWFAPZ-CVEARBPZSA-N 2 2 291.439 2.971 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000370665462 267335988 /nfs/dbraw/zinc/33/59/88/267335988.db2.gz BTUSJFWFJCFDCE-RDJZCZTQSA-N 2 2 298.434 2.575 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000370665462 267335992 /nfs/dbraw/zinc/33/59/92/267335992.db2.gz BTUSJFWFJCFDCE-RDJZCZTQSA-N 2 2 298.434 2.575 20 30 CFEDLP C=C(C)C[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371208244 267369805 /nfs/dbraw/zinc/36/98/05/267369805.db2.gz NXJAFBDCXRFRMC-UHFFFAOYSA-N 2 2 259.397 2.554 20 30 CFEDLP C=C(C)C[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371208244 267369808 /nfs/dbraw/zinc/36/98/08/267369808.db2.gz NXJAFBDCXRFRMC-UHFFFAOYSA-N 2 2 259.397 2.554 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276887577 275388737 /nfs/dbraw/zinc/38/87/37/275388737.db2.gz BQKAJUWLUDYVCS-MRXNPFEDSA-N 2 2 265.360 2.641 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276887577 275388738 /nfs/dbraw/zinc/38/87/38/275388738.db2.gz BQKAJUWLUDYVCS-MRXNPFEDSA-N 2 2 265.360 2.641 20 30 CFEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292098029 277185565 /nfs/dbraw/zinc/18/55/65/277185565.db2.gz HORIVPPFCUHHPJ-KRWDZBQOSA-N 2 2 288.822 2.719 20 30 CFEDLP C[N@H+]1CC[C@]2(CC[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292098029 277185566 /nfs/dbraw/zinc/18/55/66/277185566.db2.gz HORIVPPFCUHHPJ-KRWDZBQOSA-N 2 2 288.822 2.719 20 30 CFEDLP C[NH+]1CC[C@]2(CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292098029 277185567 /nfs/dbraw/zinc/18/55/67/277185567.db2.gz HORIVPPFCUHHPJ-KRWDZBQOSA-N 2 2 288.822 2.719 20 30 CFEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292098029 277185568 /nfs/dbraw/zinc/18/55/68/277185568.db2.gz HORIVPPFCUHHPJ-KRWDZBQOSA-N 2 2 288.822 2.719 20 30 CFEDLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CCC[N@@H+]1C ZINC000353674995 279093712 /nfs/dbraw/zinc/09/37/12/279093712.db2.gz JPTSFXUAUODGIR-DQYPLSBCSA-N 2 2 269.392 2.618 20 30 CFEDLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CCC[N@H+]1C ZINC000353674995 279093714 /nfs/dbraw/zinc/09/37/14/279093714.db2.gz JPTSFXUAUODGIR-DQYPLSBCSA-N 2 2 269.392 2.618 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1ccc(C#N)s1)C2 ZINC000134852191 281540704 /nfs/dbraw/zinc/54/07/04/281540704.db2.gz NWQZZBBPRLFAHI-NEPJUHHUSA-N 2 2 286.404 2.790 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000268786757 290059244 /nfs/dbraw/zinc/05/92/44/290059244.db2.gz CUTFBGRTVMOIJR-DCGLDWPTSA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000268786757 290059245 /nfs/dbraw/zinc/05/92/45/290059245.db2.gz CUTFBGRTVMOIJR-DCGLDWPTSA-N 2 2 269.392 2.692 20 30 CFEDLP C#CCCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000176500303 329176029 /nfs/dbraw/zinc/17/60/29/329176029.db2.gz PKEUXZALOQEDKM-RDJZCZTQSA-N 2 2 256.393 2.825 20 30 CFEDLP Cc1cc[nH+]cc1CCC[N@H+](CCC#N)CC1CC1 ZINC000289248597 328254303 /nfs/dbraw/zinc/25/43/03/328254303.db2.gz CDURGRXCRWMUME-UHFFFAOYSA-N 2 2 257.381 2.948 20 30 CFEDLP Cc1cc[nH+]cc1CCC[N@@H+](CCC#N)CC1CC1 ZINC000289248597 328254304 /nfs/dbraw/zinc/25/43/04/328254304.db2.gz CDURGRXCRWMUME-UHFFFAOYSA-N 2 2 257.381 2.948 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccncc2F)CC1 ZINC000340478355 328282442 /nfs/dbraw/zinc/28/24/42/328282442.db2.gz JGUIQIVDSKXSPB-GFCCVEGCSA-N 2 2 263.360 2.522 20 30 CFEDLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000583375942 327333193 /nfs/dbraw/zinc/33/31/93/327333193.db2.gz AIPLOEXMRZAQGB-DHXZDTOLSA-N 2 2 299.418 2.770 20 30 CFEDLP C#CCCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000176500303 329176028 /nfs/dbraw/zinc/17/60/28/329176028.db2.gz PKEUXZALOQEDKM-RDJZCZTQSA-N 2 2 256.393 2.825 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC#N ZINC000178649028 329201693 /nfs/dbraw/zinc/20/16/93/329201693.db2.gz LDCFJZQDMBSESN-RDJZCZTQSA-N 2 2 286.423 2.575 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC#N ZINC000178649028 329201694 /nfs/dbraw/zinc/20/16/94/329201694.db2.gz LDCFJZQDMBSESN-RDJZCZTQSA-N 2 2 286.423 2.575 20 30 CFEDLP CC(C)C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+](C)C ZINC000185772794 329331635 /nfs/dbraw/zinc/33/16/35/329331635.db2.gz OFQNSKHSQPKBTM-ZNMIVQPWSA-N 2 2 251.418 2.635 20 30 CFEDLP C=CC[NH+](CC=C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420899626 329787038 /nfs/dbraw/zinc/78/70/38/329787038.db2.gz GJQCDMFVDSDWLE-UHFFFAOYSA-N 2 2 286.419 2.693 20 30 CFEDLP CC(C)(C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000262237779 330002278 /nfs/dbraw/zinc/00/22/78/330002278.db2.gz HMBDAUIGXQRTER-ZDUSSCGKSA-N 2 2 292.427 2.509 20 30 CFEDLP C=CCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000279868760 330124716 /nfs/dbraw/zinc/12/47/16/330124716.db2.gz FLASIAYOKASIQQ-UHFFFAOYSA-N 2 2 259.397 2.602 20 30 CFEDLP C=CCC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C1CC1 ZINC000423228582 330180337 /nfs/dbraw/zinc/18/03/37/330180337.db2.gz DFCIVKRXXBKNFR-INIZCTEOSA-N 2 2 286.423 2.648 20 30 CFEDLP Cc1ccc(CCC[NH+]2CCC(CC#N)CC2)c[nH+]1 ZINC000527235545 330239739 /nfs/dbraw/zinc/23/97/39/330239739.db2.gz LVPLNLMNAPBIHV-UHFFFAOYSA-N 2 2 257.381 2.948 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)C1CC1 ZINC000438977253 330731719 /nfs/dbraw/zinc/73/17/19/330731719.db2.gz KEIYOGVTSFWIDZ-HUUCEWRRSA-N 2 2 268.470 2.758 20 30 CFEDLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000447507894 330867157 /nfs/dbraw/zinc/86/71/57/330867157.db2.gz JEJMROHXOIWVIZ-KURKYZTESA-N 2 2 285.435 2.831 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726279 333453792 /nfs/dbraw/zinc/45/37/92/333453792.db2.gz DSTVDYFTPNSFAC-MRXNPFEDSA-N 2 2 280.456 2.918 20 30 CFEDLP CC1(C#N)CCC([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000573195654 334916188 /nfs/dbraw/zinc/91/61/88/334916188.db2.gz JOFPSNPQBJCWCZ-UHFFFAOYSA-N 2 2 272.396 2.781 20 30 CFEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCC#N)C1 ZINC000344331758 534106541 /nfs/dbraw/zinc/10/65/41/534106541.db2.gz BDEWDLAKVFWRLV-GOEBONIOSA-N 2 2 257.381 2.715 20 30 CFEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCC#N)C1 ZINC000344331758 534106544 /nfs/dbraw/zinc/10/65/44/534106544.db2.gz BDEWDLAKVFWRLV-GOEBONIOSA-N 2 2 257.381 2.715 20 30 CFEDLP CCC[NH+]1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000049555461 519846903 /nfs/dbraw/zinc/84/69/03/519846903.db2.gz XBNMWSJUNUTART-UHFFFAOYSA-N 2 2 275.371 2.661 20 30 CFEDLP N#CC1(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000352813204 534549329 /nfs/dbraw/zinc/54/93/29/534549329.db2.gz ALHPQEFAIAGFBJ-IBGZPJMESA-N 2 2 295.430 2.888 20 30 CFEDLP N#CC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000352813204 534549334 /nfs/dbraw/zinc/54/93/34/534549334.db2.gz ALHPQEFAIAGFBJ-IBGZPJMESA-N 2 2 295.430 2.888 20 30 CFEDLP N#CC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000352813204 534549344 /nfs/dbraw/zinc/54/93/44/534549344.db2.gz ALHPQEFAIAGFBJ-IBGZPJMESA-N 2 2 295.430 2.888 20 30 CFEDLP N#CC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000352813204 534549352 /nfs/dbraw/zinc/54/93/52/534549352.db2.gz ALHPQEFAIAGFBJ-IBGZPJMESA-N 2 2 295.430 2.888 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccnc2Cl)CC1 ZINC000106245051 526605113 /nfs/dbraw/zinc/60/51/13/526605113.db2.gz JSGCQKILULXUAR-UHFFFAOYSA-N 2 2 279.815 2.865 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110586323 526605556 /nfs/dbraw/zinc/60/55/56/526605556.db2.gz JDOHZTCHYPXJHP-UHFFFAOYSA-N 2 2 272.396 2.806 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCn1cc[nH+]c1 ZINC000360838687 526690517 /nfs/dbraw/zinc/69/05/17/526690517.db2.gz DGXHNNODIYQDGR-KRWDZBQOSA-N 2 2 280.375 2.812 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000336379753 526704263 /nfs/dbraw/zinc/70/42/63/526704263.db2.gz UAMNLXFCEBOFQF-UHFFFAOYSA-N 2 2 266.348 2.661 20 30 CFEDLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423286518 528950244 /nfs/dbraw/zinc/95/02/44/528950244.db2.gz HTBREVYFMJMNEQ-NSHDSACASA-N 2 2 263.360 2.865 20 30 CFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccccc2)cc1 ZINC000747838653 574215149 /nfs/dbraw/zinc/21/51/49/574215149.db2.gz GEXTWBJJWZHEKQ-UHFFFAOYSA-N 2 2 283.375 2.585 20 30 CFEDLP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000924568815 618613201 /nfs/dbraw/zinc/61/32/01/618613201.db2.gz DAYKFELWMCZZLF-INIZCTEOSA-N 2 2 287.407 2.789 20 30 CFEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000892621020 618657992 /nfs/dbraw/zinc/65/79/92/618657992.db2.gz BMYUATZOPQKJNG-UHFFFAOYSA-N 2 2 268.404 2.502 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314038 618940553 /nfs/dbraw/zinc/94/05/53/618940553.db2.gz ITDZQWFZKONITO-OLMNPRSZSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314038 618940554 /nfs/dbraw/zinc/94/05/54/618940554.db2.gz ITDZQWFZKONITO-OLMNPRSZSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931314038 618940555 /nfs/dbraw/zinc/94/05/55/618940555.db2.gz ITDZQWFZKONITO-OLMNPRSZSA-N 2 2 283.419 2.893 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931314038 618940556 /nfs/dbraw/zinc/94/05/56/618940556.db2.gz ITDZQWFZKONITO-OLMNPRSZSA-N 2 2 283.419 2.893 20 30 CFEDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1csc(C#N)c1 ZINC000894472955 619393325 /nfs/dbraw/zinc/39/33/25/619393325.db2.gz YNGBXQLYRDWDLV-UHFFFAOYSA-N 2 2 277.437 2.928 20 30 CFEDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1csc(C#N)c1 ZINC000894472955 619393328 /nfs/dbraw/zinc/39/33/28/619393328.db2.gz YNGBXQLYRDWDLV-UHFFFAOYSA-N 2 2 277.437 2.928 20 30 CFEDLP COc1cc(C[N@H+](C)CC(C)(C)C[NH+](C)C)ccc1C#N ZINC000898308318 620370894 /nfs/dbraw/zinc/37/08/94/620370894.db2.gz XPXTXRCWNIIIOS-UHFFFAOYSA-N 2 2 289.423 2.586 20 30 CFEDLP COc1cc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)ccc1C#N ZINC000898308318 620370895 /nfs/dbraw/zinc/37/08/95/620370895.db2.gz XPXTXRCWNIIIOS-UHFFFAOYSA-N 2 2 289.423 2.586 20 30 CFEDLP CC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902447199 621089624 /nfs/dbraw/zinc/08/96/24/621089624.db2.gz XAVTZEKCMLYCKS-GJZGRUSLSA-N 2 2 257.381 2.597 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000902483538 621110301 /nfs/dbraw/zinc/11/03/01/621110301.db2.gz RHPILWVCEYNAME-HOCLYGCPSA-N 2 2 287.407 2.772 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)CC2 ZINC000902484317 621111121 /nfs/dbraw/zinc/11/11/21/621111121.db2.gz VMKRGXFKCMCJOJ-NVXWUHKLSA-N 2 2 269.392 2.667 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)CC2 ZINC000902484309 621111154 /nfs/dbraw/zinc/11/11/54/621111154.db2.gz VMKRGXFKCMCJOJ-DOTOQJQBSA-N 2 2 269.392 2.667 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000902962805 621215180 /nfs/dbraw/zinc/21/51/80/621215180.db2.gz MHBOSKLMDCYNQF-HOTGVXAUSA-N 2 2 280.375 2.810 20 30 CFEDLP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cccnc1 ZINC000903379170 621355551 /nfs/dbraw/zinc/35/55/51/621355551.db2.gz GBEDORVCPJKDFD-UAGQMJEPSA-N 2 2 286.423 2.746 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472614 621390004 /nfs/dbraw/zinc/39/00/04/621390004.db2.gz SZRHLSDQDAHDRE-INIZCTEOSA-N 2 2 269.392 2.549 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000799715025 630337590 /nfs/dbraw/zinc/33/75/90/630337590.db2.gz KQCDJRNGGOUBJB-IHRRRGAJSA-N 2 2 260.385 2.580 20 30 CFEDLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000810220564 631346712 /nfs/dbraw/zinc/34/67/12/631346712.db2.gz ZWXIRKPDIQEEAW-SUMWQHHRSA-N 2 2 269.392 2.619 20 30 CFEDLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000810220564 631346717 /nfs/dbraw/zinc/34/67/17/631346717.db2.gz ZWXIRKPDIQEEAW-SUMWQHHRSA-N 2 2 269.392 2.619 20 30 CFEDLP c1cn(CCCN[NH+]=C2CC[C@@H]3CNc4cccc2c43)c[nH+]1 ZINC000848416418 633254205 /nfs/dbraw/zinc/25/42/05/633254205.db2.gz KXEIHGSLYMQXFA-CYBMUJFWSA-N 2 2 295.390 2.570 20 30 CFEDLP C#Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575305 633294722 /nfs/dbraw/zinc/29/47/22/633294722.db2.gz OAMMUXQWFJJDDP-ZWKOTPCHSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575305 633294725 /nfs/dbraw/zinc/29/47/25/633294725.db2.gz OAMMUXQWFJJDDP-ZWKOTPCHSA-N 2 2 268.404 2.774 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C=CCC3)CC2)cc1 ZINC000850359225 633955403 /nfs/dbraw/zinc/95/54/03/633955403.db2.gz AKMRMBAYHBLKHE-KRWDZBQOSA-N 2 2 281.403 2.831 20 30 CFEDLP C#CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159032639 650246187 /nfs/dbraw/zinc/24/61/87/650246187.db2.gz USWVRICSYDFYDP-QZTJIDSGSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159032639 650246189 /nfs/dbraw/zinc/24/61/89/650246189.db2.gz USWVRICSYDFYDP-QZTJIDSGSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159032639 650246192 /nfs/dbraw/zinc/24/61/92/650246192.db2.gz USWVRICSYDFYDP-QZTJIDSGSA-N 2 2 268.404 2.606 20 30 CFEDLP C#CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159032639 650246195 /nfs/dbraw/zinc/24/61/95/650246195.db2.gz USWVRICSYDFYDP-QZTJIDSGSA-N 2 2 268.404 2.606 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C[C@@H]1CCC=CO1)C(C)C ZINC000194203458 636763031 /nfs/dbraw/zinc/76/30/31/636763031.db2.gz KHMSKICTUCOVDC-IRXDYDNUSA-N 2 2 278.440 2.967 20 30 CFEDLP C#CC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000862443651 637383121 /nfs/dbraw/zinc/38/31/21/637383121.db2.gz RQCZYVXUBZKLNR-OAHLLOKOSA-N 2 2 265.360 2.718 20 30 CFEDLP C#CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000862443651 637383126 /nfs/dbraw/zinc/38/31/26/637383126.db2.gz RQCZYVXUBZKLNR-OAHLLOKOSA-N 2 2 265.360 2.718 20 30 CFEDLP Cc1c[nH+]ccc1N[NH+]=C1CCCCc2ccc(N)cc21 ZINC000863158194 637571661 /nfs/dbraw/zinc/57/16/61/637571661.db2.gz QLADWGRRIBVVJC-UHFFFAOYSA-N 2 2 280.375 2.937 20 30 CFEDLP CC(=[NH+]Nc1cc[nH+]c(C)c1)c1ccccc1N(C)C ZINC000863159126 637572685 /nfs/dbraw/zinc/57/26/85/637572685.db2.gz DXSLCMMIPCNPEG-UHFFFAOYSA-N 2 2 268.364 2.714 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000866280917 638788527 /nfs/dbraw/zinc/78/85/27/638788527.db2.gz CPLCBZWNRZYGQK-AEGPPILISA-N 2 2 287.407 2.787 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000876957281 643079820 /nfs/dbraw/zinc/07/98/20/643079820.db2.gz WMMUBZNSJPESMK-UONOGXRCSA-N 2 2 262.401 2.827 20 30 CFEDLP C[C@H](CCC#N)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000876957280 643080108 /nfs/dbraw/zinc/08/01/08/643080108.db2.gz WMMUBZNSJPESMK-KGLIPLIRSA-N 2 2 262.401 2.827 20 30 CFEDLP C#C[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513512 643320161 /nfs/dbraw/zinc/32/01/61/643320161.db2.gz AKJLAVQBRNTZFR-ZVZYQTTQSA-N 2 2 268.404 2.966 20 30 CFEDLP C#C[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513512 643320163 /nfs/dbraw/zinc/32/01/63/643320163.db2.gz AKJLAVQBRNTZFR-ZVZYQTTQSA-N 2 2 268.404 2.966 20 30 CFEDLP CCCCNC(=[NH2+])NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000303768697 651000967 /nfs/dbraw/zinc/00/09/67/651000967.db2.gz ANTBEZVIINGYFH-INIZCTEOSA-N 2 2 290.455 2.556 20 30 CFEDLP C=C/C=C\CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000882981136 645539207 /nfs/dbraw/zinc/53/92/07/645539207.db2.gz CNXYQZLREWEOOI-WAYWQWQTSA-N 2 2 273.380 2.517 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)[C@@H]1CCCO1 ZINC000883165524 645634153 /nfs/dbraw/zinc/63/41/53/645634153.db2.gz GVCBAKNKYFBLNX-PMPSAXMXSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)[C@@H]1CCCO1 ZINC000883165524 645634155 /nfs/dbraw/zinc/63/41/55/645634155.db2.gz GVCBAKNKYFBLNX-PMPSAXMXSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)[C@H]1CCCO1 ZINC000883194838 645655596 /nfs/dbraw/zinc/65/55/96/645655596.db2.gz DPXNIMLVJKMWDW-XHSDSOJGSA-N 2 2 298.496 2.527 20 30 CFEDLP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CCCO1 ZINC000883217854 645670854 /nfs/dbraw/zinc/67/08/54/645670854.db2.gz OZSJMIJVZUXFHQ-GJZGRUSLSA-N 2 2 266.429 2.574 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883387933 645785119 /nfs/dbraw/zinc/78/51/19/645785119.db2.gz ILMKMFIAAYLQCB-PVAVHDDUSA-N 2 2 280.375 2.906 20 30 CFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925025569 648089599 /nfs/dbraw/zinc/08/95/99/648089599.db2.gz DANFQUXLSBMLRD-UONOGXRCSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925025569 648089602 /nfs/dbraw/zinc/08/96/02/648089602.db2.gz DANFQUXLSBMLRD-UONOGXRCSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000925619622 648242226 /nfs/dbraw/zinc/24/22/26/648242226.db2.gz PTDQGAOHLTUGQP-FRFSOERESA-N 2 2 287.407 2.598 20 30 CFEDLP CSc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925774324 648317745 /nfs/dbraw/zinc/31/77/45/648317745.db2.gz ULXAHSQJIQPTLY-FZMZJTMJSA-N 2 2 275.421 2.510 20 30 CFEDLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000925815068 648331915 /nfs/dbraw/zinc/33/19/15/648331915.db2.gz STWJVHOOSJFEPI-SCLBCKFNSA-N 2 2 297.377 2.745 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000926289863 648455748 /nfs/dbraw/zinc/45/57/48/648455748.db2.gz GQTKYRCIOMZWKZ-DZGCQCFKSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000926289863 648455756 /nfs/dbraw/zinc/45/57/56/648455756.db2.gz GQTKYRCIOMZWKZ-DZGCQCFKSA-N 2 2 263.429 2.921 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CCC([NH+]3CCC3)CC2)c1 ZINC001231624377 777283722 /nfs/dbraw/zinc/28/37/22/777283722.db2.gz DRPSKRYXAWXZNO-UHFFFAOYSA-N 2 2 286.419 2.922 20 30 CFEDLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(C#N)ccn1 ZINC001232480231 777576494 /nfs/dbraw/zinc/57/64/94/777576494.db2.gz PTGNGOFEZWKYGJ-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1cc(C#N)ccn1 ZINC001232480231 777576495 /nfs/dbraw/zinc/57/64/95/777576495.db2.gz PTGNGOFEZWKYGJ-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232480231 777576498 /nfs/dbraw/zinc/57/64/98/777576498.db2.gz PTGNGOFEZWKYGJ-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001232480231 777576499 /nfs/dbraw/zinc/57/64/99/777576499.db2.gz PTGNGOFEZWKYGJ-ZWKOTPCHSA-N 2 2 298.434 2.792 20 30 CFEDLP CC[N@H+](C)C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233083341 777793291 /nfs/dbraw/zinc/79/32/91/777793291.db2.gz GROIHSZWQJCIMR-UHFFFAOYSA-N 2 2 271.408 2.783 20 30 CFEDLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC001233083341 777793298 /nfs/dbraw/zinc/79/32/98/777793298.db2.gz GROIHSZWQJCIMR-UHFFFAOYSA-N 2 2 271.408 2.783 20 30 CFEDLP N#CCCC[N@@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277942746 778475437 /nfs/dbraw/zinc/47/54/37/778475437.db2.gz BFCVMOSWUZGIBE-UHFFFAOYSA-N 2 2 261.413 2.631 20 30 CFEDLP N#CCCC[N@H+]1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277942746 778475440 /nfs/dbraw/zinc/47/54/40/778475440.db2.gz BFCVMOSWUZGIBE-UHFFFAOYSA-N 2 2 261.413 2.631 20 30 CFEDLP C=CCC[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235702042 778542702 /nfs/dbraw/zinc/54/27/02/778542702.db2.gz HMUGCUWEKIZICS-INIZCTEOSA-N 2 2 274.408 2.789 20 30 CFEDLP C=CCC[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235702042 778542708 /nfs/dbraw/zinc/54/27/08/778542708.db2.gz HMUGCUWEKIZICS-INIZCTEOSA-N 2 2 274.408 2.789 20 30 CFEDLP N#Cc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1F ZINC001235895246 778595882 /nfs/dbraw/zinc/59/58/82/778595882.db2.gz FWPUJFWEFKYOFH-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1F ZINC001235895246 778595883 /nfs/dbraw/zinc/59/58/83/778595883.db2.gz FWPUJFWEFKYOFH-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)c1 ZINC001236007591 778652081 /nfs/dbraw/zinc/65/20/81/778652081.db2.gz OKAZAXXFEVQIPJ-MRXNPFEDSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1cccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)c1 ZINC001236007591 778652084 /nfs/dbraw/zinc/65/20/84/778652084.db2.gz OKAZAXXFEVQIPJ-MRXNPFEDSA-N 2 2 274.408 2.825 20 30 CFEDLP CCc1cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)ccc1C#N ZINC001236208444 778735829 /nfs/dbraw/zinc/73/58/29/778735829.db2.gz GGHAVFFEIZOEQT-QGZVFWFLSA-N 2 2 271.408 2.695 20 30 CFEDLP CCc1cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)ccc1C#N ZINC001236208444 778735832 /nfs/dbraw/zinc/73/58/32/778735832.db2.gz GGHAVFFEIZOEQT-QGZVFWFLSA-N 2 2 271.408 2.695 20 30 CFEDLP C#CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236914013 778981192 /nfs/dbraw/zinc/98/11/92/778981192.db2.gz KRDCSUGMGAKBMR-UHFFFAOYSA-N 2 2 259.740 2.591 20 30 CFEDLP C#CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236914013 778981196 /nfs/dbraw/zinc/98/11/96/778981196.db2.gz KRDCSUGMGAKBMR-UHFFFAOYSA-N 2 2 259.740 2.591 20 30 CFEDLP N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109084 779231921 /nfs/dbraw/zinc/23/19/21/779231921.db2.gz ANMQYZYLLNKZOI-CYBMUJFWSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205109084 779231928 /nfs/dbraw/zinc/23/19/28/779231928.db2.gz ANMQYZYLLNKZOI-CYBMUJFWSA-N 2 2 263.772 2.525 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1C#N ZINC000594523147 349442256 /nfs/dbraw/zinc/44/22/56/349442256.db2.gz OELSPMJXPBPHOD-ZWKOTPCHSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1C#N ZINC000594523147 349442258 /nfs/dbraw/zinc/44/22/58/349442258.db2.gz OELSPMJXPBPHOD-ZWKOTPCHSA-N 2 2 283.419 2.973 20 30 CFEDLP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1C#N ZINC000594523336 349442306 /nfs/dbraw/zinc/44/23/06/349442306.db2.gz QDGLKVACITWJCN-IAGOWNOFSA-N 2 2 299.418 2.673 20 30 CFEDLP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1C#N ZINC000594523336 349442310 /nfs/dbraw/zinc/44/23/10/349442310.db2.gz QDGLKVACITWJCN-IAGOWNOFSA-N 2 2 299.418 2.673 20 30 CFEDLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(C#N)cc1 ZINC000594914198 349503813 /nfs/dbraw/zinc/50/38/13/349503813.db2.gz FCPWPBCADMJDBR-LBPRGKRZSA-N 2 2 266.348 2.552 20 30 CFEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594914826 349504266 /nfs/dbraw/zinc/50/42/66/349504266.db2.gz MAULTDZHOUAMRM-CQSZACIVSA-N 2 2 280.375 2.617 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[N@@H+]1C1CC1 ZINC000594930857 349514876 /nfs/dbraw/zinc/51/48/76/349514876.db2.gz BAXOVNMNGZGKHN-WMLDXEAASA-N 2 2 295.430 2.957 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[N@H+]1C1CC1 ZINC000594930857 349514879 /nfs/dbraw/zinc/51/48/79/349514879.db2.gz BAXOVNMNGZGKHN-WMLDXEAASA-N 2 2 295.430 2.957 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[N@@H+]1C1CC1 ZINC000594930856 349515127 /nfs/dbraw/zinc/51/51/27/349515127.db2.gz BAXOVNMNGZGKHN-RHSMWYFYSA-N 2 2 295.430 2.957 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C[N@H+]1C1CC1 ZINC000594930856 349515129 /nfs/dbraw/zinc/51/51/29/349515129.db2.gz BAXOVNMNGZGKHN-RHSMWYFYSA-N 2 2 295.430 2.957 20 30 CFEDLP COc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)ccc1C#N ZINC000594967554 349533814 /nfs/dbraw/zinc/53/38/14/349533814.db2.gz TZDMTTLLIBDZBP-OAHLLOKOSA-N 2 2 287.407 2.529 20 30 CFEDLP COc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)ccc1C#N ZINC000594967554 349533819 /nfs/dbraw/zinc/53/38/19/349533819.db2.gz TZDMTTLLIBDZBP-OAHLLOKOSA-N 2 2 287.407 2.529 20 30 CFEDLP N#CC1(C[NH2+]Cc2cccc3[nH+]ccn32)CCCCC1 ZINC000594981245 349538104 /nfs/dbraw/zinc/53/81/04/349538104.db2.gz LXUNMHFALCVGKO-UHFFFAOYSA-N 2 2 268.364 2.898 20 30 CFEDLP C=CCCSCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000595058707 349570495 /nfs/dbraw/zinc/57/04/95/349570495.db2.gz JQNHJPATODBXMI-UHFFFAOYSA-N 2 2 291.464 2.949 20 30 CFEDLP N#Cc1ccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000595391530 349615497 /nfs/dbraw/zinc/61/54/97/349615497.db2.gz FEJGMTQMHIWGPI-UHFFFAOYSA-N 2 2 280.375 2.703 20 30 CFEDLP N#CCCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509616 349647045 /nfs/dbraw/zinc/64/70/45/349647045.db2.gz GCZRQSPEGRLOED-UHFFFAOYSA-N 2 2 257.381 2.544 20 30 CFEDLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890131 349763506 /nfs/dbraw/zinc/76/35/06/349763506.db2.gz YBRBTYNMEFUTNJ-PWSUYJOCSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890131 349763508 /nfs/dbraw/zinc/76/35/08/349763508.db2.gz YBRBTYNMEFUTNJ-PWSUYJOCSA-N 2 2 297.324 2.746 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000295003140 199294546 /nfs/dbraw/zinc/29/45/46/199294546.db2.gz MEDPNSAWYRZHHP-HNNXBMFYSA-N 2 2 281.403 2.841 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000295003140 199294548 /nfs/dbraw/zinc/29/45/48/199294548.db2.gz MEDPNSAWYRZHHP-HNNXBMFYSA-N 2 2 281.403 2.841 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000295066357 199327192 /nfs/dbraw/zinc/32/71/92/199327192.db2.gz RPOAFRUHYYAFJU-MRXNPFEDSA-N 2 2 290.382 2.584 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000295066357 199327194 /nfs/dbraw/zinc/32/71/94/199327194.db2.gz RPOAFRUHYYAFJU-MRXNPFEDSA-N 2 2 290.382 2.584 20 30 CFEDLP C=CC[NH+](CC=C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051088048 346499742 /nfs/dbraw/zinc/49/97/42/346499742.db2.gz XZPXEISHCVUBFB-INIZCTEOSA-N 2 2 299.418 2.688 20 30 CFEDLP CC[NH+](C/C=C/C[N@@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000064249282 346716826 /nfs/dbraw/zinc/71/68/26/346716826.db2.gz DUHAJRKBPXZYQZ-XLBHYRNJSA-N 2 2 276.428 2.506 20 30 CFEDLP CC[NH+](C/C=C/C[N@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000064249282 346716830 /nfs/dbraw/zinc/71/68/30/346716830.db2.gz DUHAJRKBPXZYQZ-XLBHYRNJSA-N 2 2 276.428 2.506 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000090047574 347536734 /nfs/dbraw/zinc/53/67/34/347536734.db2.gz MOHHOHXUUQAQJB-HZPDHXFCSA-N 2 2 268.445 2.822 20 30 CFEDLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570780 349030209 /nfs/dbraw/zinc/03/02/09/349030209.db2.gz NPAZKNXTWDBIPX-FZKQIMNGSA-N 2 2 297.377 2.745 20 30 CFEDLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCC[C@@H](C#N)C3)cn21 ZINC000592402555 349116934 /nfs/dbraw/zinc/11/69/34/349116934.db2.gz JCNJSCRJDBJUDK-CABCVRRESA-N 2 2 282.391 2.857 20 30 CFEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593693402 349310405 /nfs/dbraw/zinc/31/04/05/349310405.db2.gz XRNMHKJAMCULDZ-AWEZNQCLSA-N 2 2 283.419 2.911 20 30 CFEDLP C[C@@]1(C#N)CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000597232687 350065575 /nfs/dbraw/zinc/06/55/75/350065575.db2.gz VLUWGZKYECGMJY-AWEZNQCLSA-N 2 2 272.377 2.669 20 30 CFEDLP C[C@@]1(C#N)CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000597232687 350065577 /nfs/dbraw/zinc/06/55/77/350065577.db2.gz VLUWGZKYECGMJY-AWEZNQCLSA-N 2 2 272.377 2.669 20 30 CFEDLP C/C=C/C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000599004430 350358371 /nfs/dbraw/zinc/35/83/71/350358371.db2.gz CWNXJPREMQBVHO-NSCUHMNNSA-N 2 2 269.392 2.688 20 30 CFEDLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1C#N ZINC000599338667 350417571 /nfs/dbraw/zinc/41/75/71/350417571.db2.gz UXZIBUIMCITLEK-UHFFFAOYSA-N 2 2 268.364 2.585 20 30 CFEDLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1C#N ZINC000600704007 350598337 /nfs/dbraw/zinc/59/83/37/350598337.db2.gz NSEBGFAORWPACF-CJNGLKHVSA-N 2 2 257.381 2.568 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1C#N ZINC000600704007 350598340 /nfs/dbraw/zinc/59/83/40/350598340.db2.gz NSEBGFAORWPACF-CJNGLKHVSA-N 2 2 257.381 2.568 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600712817 350600246 /nfs/dbraw/zinc/60/02/46/350600246.db2.gz ZJYHRMLAJOHUJD-IRXDYDNUSA-N 2 2 281.403 2.810 20 30 CFEDLP CC(C)C[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)[NH+](C)C ZINC000602510696 350910377 /nfs/dbraw/zinc/91/03/77/350910377.db2.gz LYZKWKIAMZGYSU-HZPDHXFCSA-N 2 2 295.471 2.651 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000602515259 350911399 /nfs/dbraw/zinc/91/13/99/350911399.db2.gz PCRPBWYHJZKMKY-JKSUJKDBSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000602515259 350911403 /nfs/dbraw/zinc/91/14/03/350911403.db2.gz PCRPBWYHJZKMKY-JKSUJKDBSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000602521848 350913032 /nfs/dbraw/zinc/91/30/32/350913032.db2.gz SNXCYYWLSAONNS-CQSZACIVSA-N 2 2 268.364 2.902 20 30 CFEDLP N#CC1CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000602519528 350913236 /nfs/dbraw/zinc/91/32/36/350913236.db2.gz GVYIUBVJNIJBGC-UHFFFAOYSA-N 2 2 298.434 2.718 20 30 CFEDLP C[NH+](C)C1(C[NH2+]C2CCC(C#N)CC2)Cc2ccccc2C1 ZINC000602551211 350921027 /nfs/dbraw/zinc/92/10/27/350921027.db2.gz NVMXCOGUBYIJHE-UHFFFAOYSA-N 2 2 297.446 2.758 20 30 CFEDLP C[C@@H](CCC#N)C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000602466473 350892729 /nfs/dbraw/zinc/89/27/29/350892729.db2.gz VOKDZCAHSJTSRS-JKSUJKDBSA-N 2 2 263.429 2.877 20 30 CFEDLP C[C@@H](CCC#N)C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000602466473 350892734 /nfs/dbraw/zinc/89/27/34/350892734.db2.gz VOKDZCAHSJTSRS-JKSUJKDBSA-N 2 2 263.429 2.877 20 30 CFEDLP C[C@H](CCC#N)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000602653439 350962234 /nfs/dbraw/zinc/96/22/34/350962234.db2.gz HNJFFIBUBSJTID-OAHLLOKOSA-N 2 2 277.412 2.973 20 30 CFEDLP C[C@H](CCC#N)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000602653439 350962236 /nfs/dbraw/zinc/96/22/36/350962236.db2.gz HNJFFIBUBSJTID-OAHLLOKOSA-N 2 2 277.412 2.973 20 30 CFEDLP C[C@H](CCC#N)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000602653439 350962237 /nfs/dbraw/zinc/96/22/37/350962237.db2.gz HNJFFIBUBSJTID-OAHLLOKOSA-N 2 2 277.412 2.973 20 30 CFEDLP C[C@H](CCC#N)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000602653439 350962238 /nfs/dbraw/zinc/96/22/38/350962238.db2.gz HNJFFIBUBSJTID-OAHLLOKOSA-N 2 2 277.412 2.973 20 30 CFEDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602980605 351081955 /nfs/dbraw/zinc/08/19/55/351081955.db2.gz SFVJHJSVHRZBKJ-DOTOQJQBSA-N 2 2 280.375 2.996 20 30 CFEDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602980605 351081959 /nfs/dbraw/zinc/08/19/59/351081959.db2.gz SFVJHJSVHRZBKJ-DOTOQJQBSA-N 2 2 280.375 2.996 20 30 CFEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC000603431593 351163209 /nfs/dbraw/zinc/16/32/09/351163209.db2.gz FQVZCOJRLWNRHO-IOASZLSFSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC000603431593 351163211 /nfs/dbraw/zinc/16/32/11/351163211.db2.gz FQVZCOJRLWNRHO-IOASZLSFSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn3ccccc3c2C#N)CC[N@@H+]1C ZINC000123849960 187111825 /nfs/dbraw/zinc/11/18/25/187111825.db2.gz STVHHYATZIQVTM-ZBFHGGJFSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn3ccccc3c2C#N)CC[N@H+]1C ZINC000123849960 187111826 /nfs/dbraw/zinc/11/18/26/187111826.db2.gz STVHHYATZIQVTM-ZBFHGGJFSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn3ccccc3c2C#N)CC[NH+]1C ZINC000123849960 187111827 /nfs/dbraw/zinc/11/18/27/187111827.db2.gz STVHHYATZIQVTM-ZBFHGGJFSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)CC[NH+]1C ZINC000123849960 187111828 /nfs/dbraw/zinc/11/18/28/187111828.db2.gz STVHHYATZIQVTM-ZBFHGGJFSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[N@@H+]1C1CC1 ZINC000619748623 353063367 /nfs/dbraw/zinc/06/33/67/353063367.db2.gz PFQHULJMSDVFLD-BXUZGUMPSA-N 2 2 289.810 2.926 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)C[N@H+]1C1CC1 ZINC000619748623 353063370 /nfs/dbraw/zinc/06/33/70/353063370.db2.gz PFQHULJMSDVFLD-BXUZGUMPSA-N 2 2 289.810 2.926 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3ccc(C)cn23)CC1 ZINC000156598439 188272004 /nfs/dbraw/zinc/27/20/04/188272004.db2.gz FLTZEAAQCHOROV-UHFFFAOYSA-N 2 2 298.434 2.773 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000294914482 199246093 /nfs/dbraw/zinc/24/60/93/199246093.db2.gz GJSQWLOCFRXKAW-LBPRGKRZSA-N 2 2 266.335 2.571 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000294914482 199246094 /nfs/dbraw/zinc/24/60/94/199246094.db2.gz GJSQWLOCFRXKAW-LBPRGKRZSA-N 2 2 266.335 2.571 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000177906392 189078167 /nfs/dbraw/zinc/07/81/67/189078167.db2.gz AWHBDTVIPVHHCB-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000177906392 189078168 /nfs/dbraw/zinc/07/81/68/189078168.db2.gz AWHBDTVIPVHHCB-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H](CC[NH2+]Cc1ccc(C#N)o1)[NH+]1CCCCC1 ZINC000184334359 189383670 /nfs/dbraw/zinc/38/36/70/189383670.db2.gz ZWRVQMYZVLDSSQ-CYBMUJFWSA-N 2 2 261.369 2.505 20 30 CFEDLP C=CC[N@H+](Cc1cccs1)Cc1c[nH+]c(C)n1C ZINC000667484194 541241364 /nfs/dbraw/zinc/24/13/64/541241364.db2.gz CASMRKKJXCBFHT-UHFFFAOYSA-N 2 2 261.394 2.978 20 30 CFEDLP C=CC[N@@H+](Cc1cccs1)Cc1c[nH+]c(C)n1C ZINC000667484194 541241367 /nfs/dbraw/zinc/24/13/67/541241367.db2.gz CASMRKKJXCBFHT-UHFFFAOYSA-N 2 2 261.394 2.978 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1C#N ZINC000443998554 241105704 /nfs/dbraw/zinc/10/57/04/241105704.db2.gz VFLLBMHWSIUEMF-CZUORRHYSA-N 2 2 269.392 2.582 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)ccc1C#N ZINC000443998554 241105707 /nfs/dbraw/zinc/10/57/07/241105707.db2.gz VFLLBMHWSIUEMF-CZUORRHYSA-N 2 2 269.392 2.582 20 30 CFEDLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000447515385 241378324 /nfs/dbraw/zinc/37/83/24/241378324.db2.gz BVZNSMFLZMFEJK-INIZCTEOSA-N 2 2 257.381 2.695 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccc(C#N)cc1 ZINC000342748646 299373680 /nfs/dbraw/zinc/37/36/80/299373680.db2.gz XDUONZCKJLTKBD-HEHGZKQESA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(C#N)cc1 ZINC000342748646 299373684 /nfs/dbraw/zinc/37/36/84/299373684.db2.gz XDUONZCKJLTKBD-HEHGZKQESA-N 2 2 257.381 2.692 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000676558986 541766978 /nfs/dbraw/zinc/76/69/78/541766978.db2.gz UOABWTLZDSFYQF-QGZVFWFLSA-N 2 2 283.350 2.711 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000676558986 541766981 /nfs/dbraw/zinc/76/69/81/541766981.db2.gz UOABWTLZDSFYQF-QGZVFWFLSA-N 2 2 283.350 2.711 20 30 CFEDLP C#CCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000276141708 193223990 /nfs/dbraw/zinc/22/39/90/193223990.db2.gz ASWDOQKYLQSXKS-AWEZNQCLSA-N 2 2 253.349 2.936 20 30 CFEDLP C=CCC[N@@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000276447970 193334808 /nfs/dbraw/zinc/33/48/08/193334808.db2.gz PFTCQQXIQUNAKG-HNNXBMFYSA-N 2 2 287.407 2.522 20 30 CFEDLP C=CCC[N@H+](C)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000276447970 193334810 /nfs/dbraw/zinc/33/48/10/193334810.db2.gz PFTCQQXIQUNAKG-HNNXBMFYSA-N 2 2 287.407 2.522 20 30 CFEDLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CCC#N)C1 ZINC000574392861 335015605 /nfs/dbraw/zinc/01/56/05/335015605.db2.gz JJRHWMQAGWGODB-HNNXBMFYSA-N 2 2 271.408 2.922 20 30 CFEDLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CCC#N)C1 ZINC000574392861 335015606 /nfs/dbraw/zinc/01/56/06/335015606.db2.gz JJRHWMQAGWGODB-HNNXBMFYSA-N 2 2 271.408 2.922 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000574410389 335017483 /nfs/dbraw/zinc/01/74/83/335017483.db2.gz JFVNJZSVCNVUNA-FGTMMUONSA-N 2 2 295.430 2.790 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000574410389 335017484 /nfs/dbraw/zinc/01/74/84/335017484.db2.gz JFVNJZSVCNVUNA-FGTMMUONSA-N 2 2 295.430 2.790 20 30 CFEDLP CCc1cccc(CC)c1NC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264056168 383693042 /nfs/dbraw/zinc/69/30/42/383693042.db2.gz AUYPTLYFBNAMHX-UHFFFAOYSA-N 2 2 299.422 2.825 20 30 CFEDLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](C)C#N ZINC000101545320 375639806 /nfs/dbraw/zinc/63/98/06/375639806.db2.gz YGMZHJAVGYYPAP-CQSZACIVSA-N 2 2 268.364 2.854 20 30 CFEDLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](C)C#N ZINC000101545320 375639812 /nfs/dbraw/zinc/63/98/12/375639812.db2.gz YGMZHJAVGYYPAP-CQSZACIVSA-N 2 2 268.364 2.854 20 30 CFEDLP C[N@@H+](Cc1cn2ccccc2c1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000118842448 376319770 /nfs/dbraw/zinc/31/97/70/376319770.db2.gz RZFSXZOVEPURHI-HNNXBMFYSA-N 2 2 296.418 2.585 20 30 CFEDLP C[N@H+](Cc1cn2ccccc2c1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000118842448 376319779 /nfs/dbraw/zinc/31/97/79/376319779.db2.gz RZFSXZOVEPURHI-HNNXBMFYSA-N 2 2 296.418 2.585 20 30 CFEDLP C[NH+](Cc1cn2ccccc2c1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000118842448 376319786 /nfs/dbraw/zinc/31/97/86/376319786.db2.gz RZFSXZOVEPURHI-HNNXBMFYSA-N 2 2 296.418 2.585 20 30 CFEDLP C[NH+](Cc1cn2ccccc2c1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842448 376319793 /nfs/dbraw/zinc/31/97/93/376319793.db2.gz RZFSXZOVEPURHI-HNNXBMFYSA-N 2 2 296.418 2.585 20 30 CFEDLP C=C(C)COCC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000120585024 376645247 /nfs/dbraw/zinc/64/52/47/376645247.db2.gz ZFULXFHZLNWSPG-FUHWJXTLSA-N 2 2 288.435 2.832 20 30 CFEDLP C=C(C)COCC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000120585024 376645258 /nfs/dbraw/zinc/64/52/58/376645258.db2.gz ZFULXFHZLNWSPG-FUHWJXTLSA-N 2 2 288.435 2.832 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@H+](CCC#N)Cc1ccco1 ZINC000125540888 377167780 /nfs/dbraw/zinc/16/77/80/377167780.db2.gz MUNRQPIUEIYTEN-UHFFFAOYSA-N 2 2 286.379 2.981 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@@H+](CCC#N)Cc1ccco1 ZINC000125540888 377167789 /nfs/dbraw/zinc/16/77/89/377167789.db2.gz MUNRQPIUEIYTEN-UHFFFAOYSA-N 2 2 286.379 2.981 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129440318 377427340 /nfs/dbraw/zinc/42/73/40/377427340.db2.gz PFXBTFSBZOYYRY-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129440318 377427349 /nfs/dbraw/zinc/42/73/49/377427349.db2.gz PFXBTFSBZOYYRY-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[NH+](C)C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000153901141 378522242 /nfs/dbraw/zinc/52/22/42/378522242.db2.gz HGWLBGSVWQAKPL-OAHLLOKOSA-N 2 2 276.811 2.575 20 30 CFEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000153901141 378522248 /nfs/dbraw/zinc/52/22/48/378522248.db2.gz HGWLBGSVWQAKPL-OAHLLOKOSA-N 2 2 276.811 2.575 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C[C@H]1n1cc[nH+]c1 ZINC000334387246 379207733 /nfs/dbraw/zinc/20/77/33/379207733.db2.gz PFCROJGXSTZOFX-CZUORRHYSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C[C@H]1n1cc[nH+]c1 ZINC000334387246 379207744 /nfs/dbraw/zinc/20/77/44/379207744.db2.gz PFCROJGXSTZOFX-CZUORRHYSA-N 2 2 298.365 2.977 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1C#N ZINC000335686334 379721201 /nfs/dbraw/zinc/72/12/01/379721201.db2.gz IAMLYBLEFQSQQO-SJORKVTESA-N 2 2 269.392 2.583 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)ccc1C#N ZINC000335686334 379721203 /nfs/dbraw/zinc/72/12/03/379721203.db2.gz IAMLYBLEFQSQQO-SJORKVTESA-N 2 2 269.392 2.583 20 30 CFEDLP C[N@@H+]1CCCC12CC[NH+](CC#Cc1ccccc1)CC2 ZINC000336085691 380263953 /nfs/dbraw/zinc/26/39/53/380263953.db2.gz HWEXSKNBLQLVIE-UHFFFAOYSA-N 2 2 268.404 2.598 20 30 CFEDLP C[N@H+]1CCCC12CC[NH+](CC#Cc1ccccc1)CC2 ZINC000336085691 380263958 /nfs/dbraw/zinc/26/39/58/380263958.db2.gz HWEXSKNBLQLVIE-UHFFFAOYSA-N 2 2 268.404 2.598 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1F ZINC000336002514 380221182 /nfs/dbraw/zinc/22/11/82/380221182.db2.gz IJMRVWRYEGXKIG-PWSUYJOCSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1F ZINC000336002514 380221187 /nfs/dbraw/zinc/22/11/87/380221187.db2.gz IJMRVWRYEGXKIG-PWSUYJOCSA-N 2 2 284.338 2.629 20 30 CFEDLP N#Cc1csc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC000177591055 380358662 /nfs/dbraw/zinc/35/86/62/380358662.db2.gz UZNHTRVEGMUCIT-UHFFFAOYSA-N 2 2 272.377 2.607 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000336544401 380444218 /nfs/dbraw/zinc/44/42/18/380444218.db2.gz HJOULPJVKPDKMD-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCCn1cc[nH+]c1 ZINC000181113465 380742800 /nfs/dbraw/zinc/74/28/00/380742800.db2.gz RKKRSLILLKTGHH-UHFFFAOYSA-N 2 2 287.794 2.910 20 30 CFEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)CCCn1cc[nH+]c1 ZINC000181113465 380742806 /nfs/dbraw/zinc/74/28/06/380742806.db2.gz RKKRSLILLKTGHH-UHFFFAOYSA-N 2 2 287.794 2.910 20 30 CFEDLP CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181393704 380785898 /nfs/dbraw/zinc/78/58/98/380785898.db2.gz DSPWJPVEXKAHPO-CQSZACIVSA-N 2 2 271.408 2.911 20 30 CFEDLP C=C(CC)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000358496821 380883701 /nfs/dbraw/zinc/88/37/01/380883701.db2.gz JQJJGOJWEJSRBS-UHFFFAOYSA-N 2 2 287.451 2.987 20 30 CFEDLP C=C(CC)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000358496821 380883707 /nfs/dbraw/zinc/88/37/07/380883707.db2.gz JQJJGOJWEJSRBS-UHFFFAOYSA-N 2 2 287.451 2.987 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000347020877 380885074 /nfs/dbraw/zinc/88/50/74/380885074.db2.gz NCRGCMKLLXAZIH-RHSMWYFYSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000347020877 380885078 /nfs/dbraw/zinc/88/50/78/380885078.db2.gz NCRGCMKLLXAZIH-RHSMWYFYSA-N 2 2 274.408 2.953 20 30 CFEDLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(C#N)cc1F ZINC000358567801 380934733 /nfs/dbraw/zinc/93/47/33/380934733.db2.gz JQYQLHCBPIDQAY-LBPRGKRZSA-N 2 2 277.387 2.936 20 30 CFEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000354100048 381079204 /nfs/dbraw/zinc/07/92/04/381079204.db2.gz JTNAIOAYGQAVOX-CQSZACIVSA-N 2 2 289.448 2.783 20 30 CFEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000354100048 381079210 /nfs/dbraw/zinc/07/92/10/381079210.db2.gz JTNAIOAYGQAVOX-CQSZACIVSA-N 2 2 289.448 2.783 20 30 CFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000354100048 381079218 /nfs/dbraw/zinc/07/92/18/381079218.db2.gz JTNAIOAYGQAVOX-CQSZACIVSA-N 2 2 289.448 2.783 20 30 CFEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000354100048 381079226 /nfs/dbraw/zinc/07/92/26/381079226.db2.gz JTNAIOAYGQAVOX-CQSZACIVSA-N 2 2 289.448 2.783 20 30 CFEDLP C#CC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000182699519 381141110 /nfs/dbraw/zinc/14/11/10/381141110.db2.gz CBHIQIBLJULIKL-SFHVURJKSA-N 2 2 279.387 2.896 20 30 CFEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000182699519 381141114 /nfs/dbraw/zinc/14/11/14/381141114.db2.gz CBHIQIBLJULIKL-SFHVURJKSA-N 2 2 279.387 2.896 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000414298430 381575821 /nfs/dbraw/zinc/57/58/21/381575821.db2.gz INJAIMNWTJOHPQ-USXIJHARSA-N 2 2 258.409 2.714 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000414298430 381575826 /nfs/dbraw/zinc/57/58/26/381575826.db2.gz INJAIMNWTJOHPQ-USXIJHARSA-N 2 2 258.409 2.714 20 30 CFEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000185813049 381742220 /nfs/dbraw/zinc/74/22/20/381742220.db2.gz MUFDKYKRVNOWAN-LSDHHAIUSA-N 2 2 272.396 2.946 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@@H+]1CCCC[C@H]1C ZINC000361457932 381831852 /nfs/dbraw/zinc/83/18/52/381831852.db2.gz CNQCTROUJUZOEC-FPCVCCKLSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@H+]1CCCC[C@H]1C ZINC000361457932 381831858 /nfs/dbraw/zinc/83/18/58/381831858.db2.gz CNQCTROUJUZOEC-FPCVCCKLSA-N 2 2 263.429 2.921 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000373112364 381931414 /nfs/dbraw/zinc/93/14/14/381931414.db2.gz OFIPZTUDGMYQCJ-MRXNPFEDSA-N 2 2 297.377 2.790 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000373112364 381931420 /nfs/dbraw/zinc/93/14/20/381931420.db2.gz OFIPZTUDGMYQCJ-MRXNPFEDSA-N 2 2 297.377 2.790 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000293748471 382262503 /nfs/dbraw/zinc/26/25/03/382262503.db2.gz XUTSHBLTGGKUOI-AWEZNQCLSA-N 2 2 274.408 2.563 20 30 CFEDLP COc1ccc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1C#N ZINC000364648362 382348878 /nfs/dbraw/zinc/34/88/78/382348878.db2.gz ROUCBCSFVOWKPX-UHFFFAOYSA-N 2 2 299.418 2.627 20 30 CFEDLP COc1ccc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1C#N ZINC000364648362 382348881 /nfs/dbraw/zinc/34/88/81/382348881.db2.gz ROUCBCSFVOWKPX-UHFFFAOYSA-N 2 2 299.418 2.627 20 30 CFEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000378246906 382423956 /nfs/dbraw/zinc/42/39/56/382423956.db2.gz JQQHPFCGIVIAJW-CQSZACIVSA-N 2 2 296.374 2.670 20 30 CFEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000378246906 382423959 /nfs/dbraw/zinc/42/39/59/382423959.db2.gz JQQHPFCGIVIAJW-CQSZACIVSA-N 2 2 296.374 2.670 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365622299 382425799 /nfs/dbraw/zinc/42/57/99/382425799.db2.gz DZFADSPHYXJNAH-HNNXBMFYSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365622299 382425805 /nfs/dbraw/zinc/42/58/05/382425805.db2.gz DZFADSPHYXJNAH-HNNXBMFYSA-N 2 2 298.365 2.810 20 30 CFEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)CCC2 ZINC000365732656 382435742 /nfs/dbraw/zinc/43/57/42/382435742.db2.gz FVBSLNYPCMVRII-SOUVJXGZSA-N 2 2 272.396 2.741 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367323034 382564552 /nfs/dbraw/zinc/56/45/52/382564552.db2.gz YKSGGYVYWKNFAQ-QGZVFWFLSA-N 2 2 279.387 2.781 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000367323034 382564553 /nfs/dbraw/zinc/56/45/53/382564553.db2.gz YKSGGYVYWKNFAQ-QGZVFWFLSA-N 2 2 279.387 2.781 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000295061525 382571768 /nfs/dbraw/zinc/57/17/68/382571768.db2.gz RHDDRQZIVPCROP-GFCCVEGCSA-N 2 2 266.335 2.571 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000366633074 382535538 /nfs/dbraw/zinc/53/55/38/382535538.db2.gz IXOALSIUDBJRQE-DOTOQJQBSA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000366633074 382535541 /nfs/dbraw/zinc/53/55/41/382535541.db2.gz IXOALSIUDBJRQE-DOTOQJQBSA-N 2 2 283.419 2.790 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(C#N)ccc3F)CC[C@H]21 ZINC000227336135 382835679 /nfs/dbraw/zinc/83/56/79/382835679.db2.gz MEAZMNHYDVKHRE-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(C#N)ccc3F)CC[C@H]21 ZINC000227336135 382835681 /nfs/dbraw/zinc/83/56/81/382835681.db2.gz MEAZMNHYDVKHRE-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)CC[C@H]21 ZINC000227336135 382835683 /nfs/dbraw/zinc/83/56/83/382835683.db2.gz MEAZMNHYDVKHRE-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CC[C@H]21 ZINC000227336135 382835685 /nfs/dbraw/zinc/83/56/85/382835685.db2.gz MEAZMNHYDVKHRE-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000442714892 382947911 /nfs/dbraw/zinc/94/79/11/382947911.db2.gz MATJEJOZSTYPFD-WMLDXEAASA-N 2 2 280.375 2.713 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000442711531 382948603 /nfs/dbraw/zinc/94/86/03/382948603.db2.gz SAIFBSJIUOBOJS-DLBZAZTESA-N 2 2 280.375 2.713 20 30 CFEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237081465 382949039 /nfs/dbraw/zinc/94/90/39/382949039.db2.gz DGYFGRCQGVDIBN-MRXNPFEDSA-N 2 2 287.407 2.553 20 30 CFEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237081465 382949042 /nfs/dbraw/zinc/94/90/42/382949042.db2.gz DGYFGRCQGVDIBN-MRXNPFEDSA-N 2 2 287.407 2.553 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000442786863 382957080 /nfs/dbraw/zinc/95/70/80/382957080.db2.gz CICOCKPVIZOXLP-OAGGEKHMSA-N 2 2 261.413 2.533 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000442786863 382957082 /nfs/dbraw/zinc/95/70/82/382957082.db2.gz CICOCKPVIZOXLP-OAGGEKHMSA-N 2 2 261.413 2.533 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@H]21 ZINC000245750652 383032343 /nfs/dbraw/zinc/03/23/43/383032343.db2.gz HBADUERTJFISDU-IUODEOHRSA-N 2 2 275.421 2.536 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@H]21 ZINC000245750652 383032345 /nfs/dbraw/zinc/03/23/45/383032345.db2.gz HBADUERTJFISDU-IUODEOHRSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@H]21 ZINC000245750652 383032346 /nfs/dbraw/zinc/03/23/46/383032346.db2.gz HBADUERTJFISDU-IUODEOHRSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@H]21 ZINC000245750652 383032347 /nfs/dbraw/zinc/03/23/47/383032347.db2.gz HBADUERTJFISDU-IUODEOHRSA-N 2 2 275.421 2.536 20 30 CFEDLP CC[C@H](CC#N)[NH2+]Cc1cncc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000566428455 383186991 /nfs/dbraw/zinc/18/69/91/383186991.db2.gz GBBJTFPTLGQDJM-CALCHBBNSA-N 2 2 299.422 2.645 20 30 CFEDLP C=CC[NH+](CC=C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509263704 383147645 /nfs/dbraw/zinc/14/76/45/383147645.db2.gz NLQCXXHENMHEOM-UHFFFAOYSA-N 2 2 299.462 2.873 20 30 CFEDLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449074594 383162258 /nfs/dbraw/zinc/16/22/58/383162258.db2.gz KVSIPGJOQZIXLT-QQFBHYJXSA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449078333 383164679 /nfs/dbraw/zinc/16/46/79/383164679.db2.gz LYFGSYDEGAKACJ-QQFBHYJXSA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449078333 383164681 /nfs/dbraw/zinc/16/46/81/383164681.db2.gz LYFGSYDEGAKACJ-QQFBHYJXSA-N 2 2 263.429 2.923 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394581 383260835 /nfs/dbraw/zinc/26/08/35/383260835.db2.gz GQPKBPWOFKSLMP-JKSUJKDBSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394581 383260837 /nfs/dbraw/zinc/26/08/37/383260837.db2.gz GQPKBPWOFKSLMP-JKSUJKDBSA-N 2 2 268.445 2.558 20 30 CFEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249034735 383319278 /nfs/dbraw/zinc/31/92/78/383319278.db2.gz SBRPMIAXESWHFZ-OWCLPIDISA-N 2 2 263.429 2.923 20 30 CFEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249034735 383319283 /nfs/dbraw/zinc/31/92/83/383319283.db2.gz SBRPMIAXESWHFZ-OWCLPIDISA-N 2 2 263.429 2.923 20 30 CFEDLP CC[C@@H](C)[NH2+][C@H](CNc1cc(C)[nH+]cc1C#N)c1ccco1 ZINC000425255899 383350868 /nfs/dbraw/zinc/35/08/68/383350868.db2.gz QNAYAQDZGFQJMT-MLGOLLRUSA-N 2 2 298.390 2.818 20 30 CFEDLP N#CCCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000433026815 383753021 /nfs/dbraw/zinc/75/30/21/383753021.db2.gz IATIKNWJRXFDPU-MRXNPFEDSA-N 2 2 268.364 2.908 20 30 CFEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000437243761 383901666 /nfs/dbraw/zinc/90/16/66/383901666.db2.gz CHFNXQOAOGMFFM-DLBZAZTESA-N 2 2 274.408 2.893 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268139294 384541460 /nfs/dbraw/zinc/54/14/60/384541460.db2.gz SDFPOPRUSHEFSR-HNAYVOBHSA-N 2 2 298.430 2.661 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000268139294 384541464 /nfs/dbraw/zinc/54/14/64/384541464.db2.gz SDFPOPRUSHEFSR-HNAYVOBHSA-N 2 2 298.430 2.661 20 30 CFEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289321004 197295397 /nfs/dbraw/zinc/29/53/97/197295397.db2.gz CJKXCOQDIIUPIE-GOSISDBHSA-N 2 2 288.435 2.520 20 30 CFEDLP C=C(C)C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289321004 197295399 /nfs/dbraw/zinc/29/53/99/197295399.db2.gz CJKXCOQDIIUPIE-GOSISDBHSA-N 2 2 288.435 2.520 20 30 CFEDLP C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289321004 197295401 /nfs/dbraw/zinc/29/54/01/197295401.db2.gz CJKXCOQDIIUPIE-GOSISDBHSA-N 2 2 288.435 2.520 20 30 CFEDLP C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000289321004 197295402 /nfs/dbraw/zinc/29/54/02/197295402.db2.gz CJKXCOQDIIUPIE-GOSISDBHSA-N 2 2 288.435 2.520 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638524358 384720141 /nfs/dbraw/zinc/72/01/41/384720141.db2.gz MNQVKOJJFOLCJO-UHFFFAOYSA-N 2 2 275.396 2.682 20 30 CFEDLP C#CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272588931 385569951 /nfs/dbraw/zinc/56/99/51/385569951.db2.gz HPDVVYKWSBZTPY-MJGOQNOKSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272588931 385569952 /nfs/dbraw/zinc/56/99/52/385569952.db2.gz HPDVVYKWSBZTPY-MJGOQNOKSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272588931 385569955 /nfs/dbraw/zinc/56/99/55/385569955.db2.gz HPDVVYKWSBZTPY-MJGOQNOKSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000272588931 385569957 /nfs/dbraw/zinc/56/99/57/385569957.db2.gz HPDVVYKWSBZTPY-MJGOQNOKSA-N 2 2 298.430 2.615 20 30 CFEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191561607 130254428 /nfs/dbraw/zinc/25/44/28/130254428.db2.gz WYMXHZRJIKLGRA-OAHLLOKOSA-N 2 2 296.418 2.507 20 30 CFEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191561607 130254431 /nfs/dbraw/zinc/25/44/31/130254431.db2.gz WYMXHZRJIKLGRA-OAHLLOKOSA-N 2 2 296.418 2.507 20 30 CFEDLP C=C(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000268821276 132072187 /nfs/dbraw/zinc/07/21/87/132072187.db2.gz LZOOFFLJAQBJED-GDBMZVCRSA-N 2 2 256.393 2.915 20 30 CFEDLP C=C(C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000268821276 132072188 /nfs/dbraw/zinc/07/21/88/132072188.db2.gz LZOOFFLJAQBJED-GDBMZVCRSA-N 2 2 256.393 2.915 20 30 CFEDLP C=C(C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000268822417 132072254 /nfs/dbraw/zinc/07/22/54/132072254.db2.gz LZOOFFLJAQBJED-ZBFHGGJFSA-N 2 2 256.393 2.915 20 30 CFEDLP C=C(C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000268822417 132072255 /nfs/dbraw/zinc/07/22/55/132072255.db2.gz LZOOFFLJAQBJED-ZBFHGGJFSA-N 2 2 256.393 2.915 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000186315391 393543183 /nfs/dbraw/zinc/54/31/83/393543183.db2.gz YVOQNVWJIAHDRN-UHFFFAOYSA-N 2 2 268.364 2.585 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000186315391 393543186 /nfs/dbraw/zinc/54/31/86/393543186.db2.gz YVOQNVWJIAHDRN-UHFFFAOYSA-N 2 2 268.364 2.585 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C2 ZINC000376492563 393521034 /nfs/dbraw/zinc/52/10/34/393521034.db2.gz QXUIMWWMCXITKJ-XJKSGUPXSA-N 2 2 280.375 2.729 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000051925350 393617729 /nfs/dbraw/zinc/61/77/29/393617729.db2.gz NHQVORNDINXDOF-UHFFFAOYSA-N 2 2 269.392 2.618 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000335033549 393635020 /nfs/dbraw/zinc/63/50/20/393635020.db2.gz RBDNYTYOQXCUFW-RDJZCZTQSA-N 2 2 269.392 2.667 20 30 CFEDLP CC1(C#N)CCC([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000335037437 393636411 /nfs/dbraw/zinc/63/64/11/393636411.db2.gz HJALQFABHOQRLN-NXYGQSRBSA-N 2 2 283.419 2.935 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCC#N)CC1CC1 ZINC000346145631 393921906 /nfs/dbraw/zinc/92/19/06/393921906.db2.gz UFDMMKAUHDBILI-UHFFFAOYSA-N 2 2 295.390 2.701 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCC#N)CC1CC1 ZINC000346145631 393921910 /nfs/dbraw/zinc/92/19/10/393921910.db2.gz UFDMMKAUHDBILI-UHFFFAOYSA-N 2 2 295.390 2.701 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C[N@@H+]1C1CC1 ZINC000353237750 394026025 /nfs/dbraw/zinc/02/60/25/394026025.db2.gz FTSUKXPDGFMHEY-DWQUBVKVSA-N 2 2 281.403 2.760 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C[N@H+]1C1CC1 ZINC000353237750 394026028 /nfs/dbraw/zinc/02/60/28/394026028.db2.gz FTSUKXPDGFMHEY-DWQUBVKVSA-N 2 2 281.403 2.760 20 30 CFEDLP CC#CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281996772 394107912 /nfs/dbraw/zinc/10/79/12/394107912.db2.gz INIQZQHJHVJWRB-HNNXBMFYSA-N 2 2 271.408 2.812 20 30 CFEDLP CC#CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281996772 394107914 /nfs/dbraw/zinc/10/79/14/394107914.db2.gz INIQZQHJHVJWRB-HNNXBMFYSA-N 2 2 271.408 2.812 20 30 CFEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439444840 394115985 /nfs/dbraw/zinc/11/59/85/394115985.db2.gz CJGOBHZRVXJFTE-CQSZACIVSA-N 2 2 291.826 2.985 20 30 CFEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439444840 394115988 /nfs/dbraw/zinc/11/59/88/394115988.db2.gz CJGOBHZRVXJFTE-CQSZACIVSA-N 2 2 291.826 2.985 20 30 CFEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439444840 394115991 /nfs/dbraw/zinc/11/59/91/394115991.db2.gz CJGOBHZRVXJFTE-CQSZACIVSA-N 2 2 291.826 2.985 20 30 CFEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439444840 394115993 /nfs/dbraw/zinc/11/59/93/394115993.db2.gz CJGOBHZRVXJFTE-CQSZACIVSA-N 2 2 291.826 2.985 20 30 CFEDLP Cc1cc[nH+]c(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000131110053 394126450 /nfs/dbraw/zinc/12/64/50/394126450.db2.gz KIBLYDNQRDOZLP-UHFFFAOYSA-N 2 2 263.304 2.522 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000359453378 394134942 /nfs/dbraw/zinc/13/49/42/394134942.db2.gz DPZJFPNNRPJDBU-OKILXGFUSA-N 2 2 292.810 2.556 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000359453378 394134944 /nfs/dbraw/zinc/13/49/44/394134944.db2.gz DPZJFPNNRPJDBU-OKILXGFUSA-N 2 2 292.810 2.556 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1F ZINC000421348357 394194210 /nfs/dbraw/zinc/19/42/10/394194210.db2.gz BJWVQRBJSJBDSB-UHFFFAOYSA-N 2 2 287.382 2.804 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000423528159 394291555 /nfs/dbraw/zinc/29/15/55/394291555.db2.gz NEOJGUWQPLGZDC-MDASCCDHSA-N 2 2 291.398 2.964 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000423535762 394293306 /nfs/dbraw/zinc/29/33/06/394293306.db2.gz YEQPMFACJHMMHF-ZOCIIQOWSA-N 2 2 291.398 2.964 20 30 CFEDLP C=C(C[NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657334256 413458220 /nfs/dbraw/zinc/45/82/20/413458220.db2.gz RVOQNWCIDJXYKO-UHFFFAOYSA-N 2 2 253.349 2.632 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000657530032 413713569 /nfs/dbraw/zinc/71/35/69/413713569.db2.gz LNXRKQOQOZGHFY-UKRRQHHQSA-N 2 2 276.428 2.711 20 30 CFEDLP COc1cc(C#N)ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285499790 196305955 /nfs/dbraw/zinc/30/59/55/196305955.db2.gz MRTZDQGRSIRTQG-SJPCQFCGSA-N 2 2 299.418 2.624 20 30 CFEDLP COc1cc(C#N)ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285499790 196305956 /nfs/dbraw/zinc/30/59/56/196305956.db2.gz MRTZDQGRSIRTQG-SJPCQFCGSA-N 2 2 299.418 2.624 20 30 CFEDLP COc1cc(C#N)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285499790 196305958 /nfs/dbraw/zinc/30/59/58/196305958.db2.gz MRTZDQGRSIRTQG-SJPCQFCGSA-N 2 2 299.418 2.624 20 30 CFEDLP COc1cc(C#N)ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285499790 196305960 /nfs/dbraw/zinc/30/59/60/196305960.db2.gz MRTZDQGRSIRTQG-SJPCQFCGSA-N 2 2 299.418 2.624 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000657658153 413824988 /nfs/dbraw/zinc/82/49/88/413824988.db2.gz NUBYHGZNSCEGDT-WMZOPIPTSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000657658153 413825002 /nfs/dbraw/zinc/82/50/02/413825002.db2.gz NUBYHGZNSCEGDT-WMZOPIPTSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000661756940 414194619 /nfs/dbraw/zinc/19/46/19/414194619.db2.gz YHWXFQMAYNCNKV-KRWDZBQOSA-N 2 2 290.451 2.766 20 30 CFEDLP C=CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000661756940 414194626 /nfs/dbraw/zinc/19/46/26/414194626.db2.gz YHWXFQMAYNCNKV-KRWDZBQOSA-N 2 2 290.451 2.766 20 30 CFEDLP C=CC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000661756940 414194632 /nfs/dbraw/zinc/19/46/32/414194632.db2.gz YHWXFQMAYNCNKV-KRWDZBQOSA-N 2 2 290.451 2.766 20 30 CFEDLP C=CC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C(C)(C)C ZINC000661756940 414194637 /nfs/dbraw/zinc/19/46/37/414194637.db2.gz YHWXFQMAYNCNKV-KRWDZBQOSA-N 2 2 290.451 2.766 20 30 CFEDLP C=CCC[C@@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295383 414354656 /nfs/dbraw/zinc/35/46/56/414354656.db2.gz RZXBIHLWBYQKME-GDBMZVCRSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655739197 414402530 /nfs/dbraw/zinc/40/25/30/414402530.db2.gz ZNOGYKAJFCLIRL-GDBMZVCRSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CC[C@]1(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CCC[NH2+]1 ZINC000662746063 414604918 /nfs/dbraw/zinc/60/49/18/414604918.db2.gz IWZVTUHFSMHWCR-QGZVFWFLSA-N 2 2 298.390 2.519 20 30 CFEDLP Cc1cc[nH+]cc1CCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000347862081 226385891 /nfs/dbraw/zinc/38/58/91/226385891.db2.gz VEETVLLMZWQHEF-CYBMUJFWSA-N 2 2 257.381 2.947 20 30 CFEDLP Cc1cc[nH+]cc1CCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000347862081 226385893 /nfs/dbraw/zinc/38/58/93/226385893.db2.gz VEETVLLMZWQHEF-CYBMUJFWSA-N 2 2 257.381 2.947 20 30 CFEDLP C#CC[N@H+](Cc1cccc2[nH+]ccn21)C1CCCC1 ZINC000180585702 260106650 /nfs/dbraw/zinc/10/66/50/260106650.db2.gz XLUWBDDOLCOPJN-UHFFFAOYSA-N 2 2 253.349 2.712 20 30 CFEDLP C#CC[N@@H+](Cc1cccc2[nH+]ccn21)C1CCCC1 ZINC000180585702 260106652 /nfs/dbraw/zinc/10/66/52/260106652.db2.gz XLUWBDDOLCOPJN-UHFFFAOYSA-N 2 2 253.349 2.712 20 30 CFEDLP N#CCCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557037 260183073 /nfs/dbraw/zinc/18/30/73/260183073.db2.gz CUDGUWHDNZSIOP-QGZVFWFLSA-N 2 2 271.408 2.934 20 30 CFEDLP N#CCCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081557037 260183074 /nfs/dbraw/zinc/18/30/74/260183074.db2.gz CUDGUWHDNZSIOP-QGZVFWFLSA-N 2 2 271.408 2.934 20 30 CFEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361460221 261280623 /nfs/dbraw/zinc/28/06/23/261280623.db2.gz SXHUQJPFGUPRGD-QXSJWSMHSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361460221 261280625 /nfs/dbraw/zinc/28/06/25/261280625.db2.gz SXHUQJPFGUPRGD-QXSJWSMHSA-N 2 2 263.429 2.921 20 30 CFEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1Cl ZINC000414847093 263063511 /nfs/dbraw/zinc/06/35/11/263063511.db2.gz OEEZOGWFAQTUIM-CYBMUJFWSA-N 2 2 280.799 2.746 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCOC1(C)C)C(C)C ZINC000340175770 263083033 /nfs/dbraw/zinc/08/30/33/263083033.db2.gz PBTMEQRGXVMGRV-HZPDHXFCSA-N 2 2 280.456 2.842 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC#N)c1ccc(OC)cc1 ZINC000295058512 263171388 /nfs/dbraw/zinc/17/13/88/263171388.db2.gz QXNQWTFALNDZCG-SFHVURJKSA-N 2 2 299.418 2.585 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC#N)c1ccc(OC)cc1 ZINC000295058512 263171389 /nfs/dbraw/zinc/17/13/89/263171389.db2.gz QXNQWTFALNDZCG-SFHVURJKSA-N 2 2 299.418 2.585 20 30 CFEDLP C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341891569 263363720 /nfs/dbraw/zinc/36/37/20/263363720.db2.gz VGEYKMHGBKBPQZ-LSDHHAIUSA-N 2 2 285.391 2.708 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000368051876 267142886 /nfs/dbraw/zinc/14/28/86/267142886.db2.gz QRQOCNWQCSMDHB-INIZCTEOSA-N 2 2 276.449 2.960 20 30 CFEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000369032594 267217393 /nfs/dbraw/zinc/21/73/93/267217393.db2.gz NABYOBOSKDIRGP-AWEZNQCLSA-N 2 2 260.385 2.947 20 30 CFEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CCCC#N)C1 ZINC000369032594 267217395 /nfs/dbraw/zinc/21/73/95/267217395.db2.gz NABYOBOSKDIRGP-AWEZNQCLSA-N 2 2 260.385 2.947 20 30 CFEDLP C#CCSCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000370683152 267338350 /nfs/dbraw/zinc/33/83/50/267338350.db2.gz UQXRTJHCDARFPN-UHFFFAOYSA-N 2 2 294.489 2.669 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000248530672 276187812 /nfs/dbraw/zinc/18/78/12/276187812.db2.gz NQBSGOPWRUCPJU-CJNGLKHVSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000248530672 276187813 /nfs/dbraw/zinc/18/78/13/276187813.db2.gz NQBSGOPWRUCPJU-CJNGLKHVSA-N 2 2 257.381 2.693 20 30 CFEDLP CC1CC[NH+](Cc2cccc(C[NH2+]CCC#N)c2)CC1 ZINC000571277195 328096749 /nfs/dbraw/zinc/09/67/49/328096749.db2.gz PPDABRZIAKLDJT-UHFFFAOYSA-N 2 2 271.408 2.922 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+](C)C ZINC000271086062 328194836 /nfs/dbraw/zinc/19/48/36/328194836.db2.gz UGXIFSIUBDPLDO-ZLPCBKJTSA-N 2 2 285.435 2.930 20 30 CFEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000278533990 328226592 /nfs/dbraw/zinc/22/65/92/328226592.db2.gz FMINOWBFMXNBRL-KFWWJZLASA-N 2 2 270.380 2.508 20 30 CFEDLP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000278533990 328226594 /nfs/dbraw/zinc/22/65/94/328226594.db2.gz FMINOWBFMXNBRL-KFWWJZLASA-N 2 2 270.380 2.508 20 30 CFEDLP N#Cc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000174265007 323646526 /nfs/dbraw/zinc/64/65/26/323646526.db2.gz XNENEOAFKGQXEE-UHFFFAOYSA-N 2 2 292.342 2.686 20 30 CFEDLP COc1ccc([C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000583375944 327333232 /nfs/dbraw/zinc/33/32/32/327333232.db2.gz AIPLOEXMRZAQGB-PAYONLEZSA-N 2 2 299.418 2.770 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC#N ZINC000178649013 329201623 /nfs/dbraw/zinc/20/16/23/329201623.db2.gz LDCFJZQDMBSESN-WBVHZDCISA-N 2 2 286.423 2.575 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCC#N ZINC000178649013 329201625 /nfs/dbraw/zinc/20/16/25/329201625.db2.gz LDCFJZQDMBSESN-WBVHZDCISA-N 2 2 286.423 2.575 20 30 CFEDLP N#CCCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180163554 329218384 /nfs/dbraw/zinc/21/83/84/329218384.db2.gz SNMNINFIARSVKD-UHFFFAOYSA-N 2 2 277.334 2.687 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000180950026 329224223 /nfs/dbraw/zinc/22/42/23/329224223.db2.gz DQGUYNHCTXAJMP-VYDXJSESSA-N 2 2 273.424 2.846 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000180950026 329224224 /nfs/dbraw/zinc/22/42/24/329224224.db2.gz DQGUYNHCTXAJMP-VYDXJSESSA-N 2 2 273.424 2.846 20 30 CFEDLP C[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000185803150 329329424 /nfs/dbraw/zinc/32/94/24/329329424.db2.gz CRZQSPRUOZFWIP-JYJNAYRXSA-N 2 2 263.429 2.779 20 30 CFEDLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+](C)C ZINC000185772812 329331433 /nfs/dbraw/zinc/33/14/33/329331433.db2.gz OFQNSKHSQPKBTM-RRFJBIMHSA-N 2 2 251.418 2.635 20 30 CFEDLP CC(C)(CC#N)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000459739989 329377382 /nfs/dbraw/zinc/37/73/82/329377382.db2.gz ZYTASRDSAJCMAW-UHFFFAOYSA-N 2 2 286.423 2.575 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCOC[C@H]1C)C(C)C ZINC000192469534 329432482 /nfs/dbraw/zinc/43/24/82/329432482.db2.gz HHXIMQRDVSSYFE-IKGGRYGDSA-N 2 2 280.456 2.700 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCCCC2)CC1 ZINC000421829248 330083929 /nfs/dbraw/zinc/08/39/29/330083929.db2.gz HEWWBKSDOANFQH-HNNXBMFYSA-N 2 2 280.456 2.964 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422834794 330156942 /nfs/dbraw/zinc/15/69/42/330156942.db2.gz OFVXDJMXWTYWAP-ABHNRTSZSA-N 3 2 293.499 2.792 20 30 CFEDLP C=CCC[C@@H](CC)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423224820 330180162 /nfs/dbraw/zinc/18/01/62/330180162.db2.gz CTWRYVOWDFNQGP-CQSZACIVSA-N 2 2 274.412 2.648 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000424189369 330322289 /nfs/dbraw/zinc/32/22/89/330322289.db2.gz DIXSMWOHNCCUOG-DZJNRPSUSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000424189369 330322290 /nfs/dbraw/zinc/32/22/90/330322290.db2.gz DIXSMWOHNCCUOG-DZJNRPSUSA-N 2 2 283.419 2.931 20 30 CFEDLP C#CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000090398483 330392422 /nfs/dbraw/zinc/39/24/22/330392422.db2.gz NTUWOTLNIKEYFT-WMZOPIPTSA-N 2 2 285.435 2.685 20 30 CFEDLP C#CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000090398483 330392423 /nfs/dbraw/zinc/39/24/23/330392423.db2.gz NTUWOTLNIKEYFT-WMZOPIPTSA-N 2 2 285.435 2.685 20 30 CFEDLP C=CC(C)(C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000449487176 330930248 /nfs/dbraw/zinc/93/02/48/330930248.db2.gz XLAVNNOXWJOARN-UHFFFAOYSA-N 2 2 273.424 2.848 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494413551 332472594 /nfs/dbraw/zinc/47/25/94/332472594.db2.gz NIHBYUGVKILMOQ-HNNXBMFYSA-N 2 2 283.375 2.553 20 30 CFEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]CCC#N)c(C)c1 ZINC000575796752 335115702 /nfs/dbraw/zinc/11/57/02/335115702.db2.gz HZWQRJLRSSXRKX-MRXNPFEDSA-N 2 2 268.364 2.745 20 30 CFEDLP C=CCc1cc(C[N@H+](C)CCC[NH+](C)C)cc(OC)c1O ZINC000516997303 333089224 /nfs/dbraw/zinc/08/92/24/333089224.db2.gz DFHSHVIEBVDNTO-UHFFFAOYSA-N 2 2 292.423 2.513 20 30 CFEDLP C=CCc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(OC)c1O ZINC000516997303 333089226 /nfs/dbraw/zinc/08/92/26/333089226.db2.gz DFHSHVIEBVDNTO-UHFFFAOYSA-N 2 2 292.423 2.513 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000548385176 334153497 /nfs/dbraw/zinc/15/34/97/334153497.db2.gz RFSQRIZDSKZRCC-AWEZNQCLSA-N 2 2 284.407 2.635 20 30 CFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000248623222 334309689 /nfs/dbraw/zinc/30/96/89/334309689.db2.gz NLJIJPRTZKCZPZ-LZWOXQAQSA-N 2 2 263.429 2.779 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000181717030 335780377 /nfs/dbraw/zinc/78/03/77/335780377.db2.gz CVIPUJVACOBPAP-JKSUJKDBSA-N 2 2 280.456 2.820 20 30 CFEDLP CC[NH+]1CCC([N@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000223556176 521564144 /nfs/dbraw/zinc/56/41/44/521564144.db2.gz QDPUWWZLBVULBV-UHFFFAOYSA-N 2 2 275.371 2.613 20 30 CFEDLP CC[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000223556176 521564152 /nfs/dbraw/zinc/56/41/52/521564152.db2.gz QDPUWWZLBVULBV-UHFFFAOYSA-N 2 2 275.371 2.613 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000340844740 521720542 /nfs/dbraw/zinc/72/05/42/521720542.db2.gz YWZZMMFXFTUQTA-CJNGLKHVSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000340844740 521720543 /nfs/dbraw/zinc/72/05/43/521720543.db2.gz YWZZMMFXFTUQTA-CJNGLKHVSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000340844740 521720544 /nfs/dbraw/zinc/72/05/44/521720544.db2.gz YWZZMMFXFTUQTA-CJNGLKHVSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000340844740 521720545 /nfs/dbraw/zinc/72/05/45/521720545.db2.gz YWZZMMFXFTUQTA-CJNGLKHVSA-N 2 2 289.398 2.859 20 30 CFEDLP C[NH+](C)CCCC1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356122507 524051896 /nfs/dbraw/zinc/05/18/96/524051896.db2.gz LVUBUODJPYZNJJ-UHFFFAOYSA-N 2 2 292.452 2.569 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728713182 574105257 /nfs/dbraw/zinc/10/52/57/574105257.db2.gz SOAWLLJVXYLMFP-ZBFHGGJFSA-N 2 2 287.407 2.551 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728713182 574105259 /nfs/dbraw/zinc/10/52/59/574105259.db2.gz SOAWLLJVXYLMFP-ZBFHGGJFSA-N 2 2 287.407 2.551 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000156563516 618158854 /nfs/dbraw/zinc/15/88/54/618158854.db2.gz ZBSHVTDIANGESW-RDJZCZTQSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000156563516 618158856 /nfs/dbraw/zinc/15/88/56/618158856.db2.gz ZBSHVTDIANGESW-RDJZCZTQSA-N 2 2 286.419 2.834 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@H]1CCC=CO1)C(C)C ZINC000194203474 618292560 /nfs/dbraw/zinc/29/25/60/618292560.db2.gz KHMSKICTUCOVDC-IAGOWNOFSA-N 2 2 278.440 2.967 20 30 CFEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000895380056 618558779 /nfs/dbraw/zinc/55/87/79/618558779.db2.gz NWGDBNWVARVHHK-YOEHRIQHSA-N 2 2 286.423 2.505 20 30 CFEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000895380056 618558783 /nfs/dbraw/zinc/55/87/83/618558783.db2.gz NWGDBNWVARVHHK-YOEHRIQHSA-N 2 2 286.423 2.505 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000926763082 618650120 /nfs/dbraw/zinc/65/01/20/618650120.db2.gz SEKQJJXOMBEZGH-HIFRSBDPSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000926763082 618650121 /nfs/dbraw/zinc/65/01/21/618650121.db2.gz SEKQJJXOMBEZGH-HIFRSBDPSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](CC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCC1 ZINC000893534435 619042069 /nfs/dbraw/zinc/04/20/69/619042069.db2.gz LMWGUWCCNMOUOE-QGZVFWFLSA-N 2 2 270.420 2.892 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236841406 619200850 /nfs/dbraw/zinc/20/08/50/619200850.db2.gz SOAWLLJVXYLMFP-HOCLYGCPSA-N 2 2 287.407 2.551 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236841406 619200853 /nfs/dbraw/zinc/20/08/53/619200853.db2.gz SOAWLLJVXYLMFP-HOCLYGCPSA-N 2 2 287.407 2.551 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2(Br)CC2)CC1 ZINC000924984280 619317550 /nfs/dbraw/zinc/31/75/50/619317550.db2.gz RBOBDGORPDXOBO-LLVKDONJSA-N 2 2 287.245 2.542 20 30 CFEDLP C#CC[NH+]1CCC(Nc2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC000895811112 619611364 /nfs/dbraw/zinc/61/13/64/619611364.db2.gz NJTVKCKHIAROAY-UHFFFAOYSA-N 2 2 284.407 2.562 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2csc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC000896002010 619651590 /nfs/dbraw/zinc/65/15/90/619651590.db2.gz HTBGSPCWLNITNQ-CYBMUJFWSA-N 2 2 298.415 2.725 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CCN1c1cc[nH+]cc1 ZINC000896002010 619651592 /nfs/dbraw/zinc/65/15/92/619651592.db2.gz HTBGSPCWLNITNQ-CYBMUJFWSA-N 2 2 298.415 2.725 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000898034810 620327401 /nfs/dbraw/zinc/32/74/01/620327401.db2.gz XQVUBPTUEOXMHS-CYBMUJFWSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000898034810 620327403 /nfs/dbraw/zinc/32/74/03/620327403.db2.gz XQVUBPTUEOXMHS-CYBMUJFWSA-N 2 2 251.418 2.636 20 30 CFEDLP C=CCC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CC1 ZINC000902435466 621079501 /nfs/dbraw/zinc/07/95/01/621079501.db2.gz BTNPFZPUVSOFBY-BRWVUGGUSA-N 2 2 256.393 2.946 20 30 CFEDLP C[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C[NH+]1CCCCC1 ZINC000902756039 621165666 /nfs/dbraw/zinc/16/56/66/621165666.db2.gz AVLGFQANGDWOSM-CABCVRRESA-N 2 2 286.423 2.726 20 30 CFEDLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902759469 621166821 /nfs/dbraw/zinc/16/68/21/621166821.db2.gz YCRFJHRZNZAGJS-XJKSGUPXSA-N 2 2 297.406 2.915 20 30 CFEDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cc(C#N)ccn1 ZINC000902788749 621176771 /nfs/dbraw/zinc/17/67/71/621176771.db2.gz CHGNWMNHZWOTRW-AWEZNQCLSA-N 2 2 295.390 2.891 20 30 CFEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000902793913 621178243 /nfs/dbraw/zinc/17/82/43/621178243.db2.gz ORVIGBXWHUVMDO-GOEBONIOSA-N 2 2 286.423 2.724 20 30 CFEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000902793913 621178245 /nfs/dbraw/zinc/17/82/45/621178245.db2.gz ORVIGBXWHUVMDO-GOEBONIOSA-N 2 2 286.423 2.724 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](OCC)C2)CC1 ZINC000902797012 621179712 /nfs/dbraw/zinc/17/97/12/621179712.db2.gz YIFRIFHMHGINFY-HOTGVXAUSA-N 2 2 266.429 2.574 20 30 CFEDLP C[C@H](CC[NH2+][C@H](C)c1cc(C#N)ccn1)[NH+]1CCCCC1 ZINC000902951967 621212850 /nfs/dbraw/zinc/21/28/50/621212850.db2.gz RQJRLLNIYVQXIZ-HUUCEWRRSA-N 2 2 286.423 2.868 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000904461940 621597139 /nfs/dbraw/zinc/59/71/39/621597139.db2.gz QAWCKZFBLSQJPV-RTBURBONSA-N 2 2 294.398 2.966 20 30 CFEDLP CCn1c[nH+]cc1/C=C/C(=O)c1cccc(C[NH+](C)C)c1 ZINC000905078142 621690516 /nfs/dbraw/zinc/69/05/16/621690516.db2.gz LUIAYNKZRHRLRW-CMDGGOBGSA-N 2 2 283.375 2.861 20 30 CFEDLP C#CCOc1ccccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000760830954 626775640 /nfs/dbraw/zinc/77/56/40/626775640.db2.gz LKTQMIBDKBDEPZ-UHFFFAOYSA-N 2 2 286.419 2.616 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000760830954 626775642 /nfs/dbraw/zinc/77/56/42/626775642.db2.gz LKTQMIBDKBDEPZ-UHFFFAOYSA-N 2 2 286.419 2.616 20 30 CFEDLP N#Cc1ccc(F)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000775412185 628023169 /nfs/dbraw/zinc/02/31/69/628023169.db2.gz KZWFTUHSOOFCGM-UHFFFAOYSA-N 2 2 287.382 2.661 20 30 CFEDLP C#C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000775575354 628042551 /nfs/dbraw/zinc/04/25/51/628042551.db2.gz WAKYZHLJGKCGTC-WBAXXEDZSA-N 2 2 295.386 2.704 20 30 CFEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc([N+](=O)[O-])cc1 ZINC000776177342 628111914 /nfs/dbraw/zinc/11/19/14/628111914.db2.gz MXSKLWIWCKRESW-UHFFFAOYSA-N 2 2 285.307 2.502 20 30 CFEDLP CC(C)c1[nH+]c(C=NNc2cc[nH+]cc2)c2ccccn21 ZINC000779809249 628408687 /nfs/dbraw/zinc/40/86/87/628408687.db2.gz HOUDLTGPNJPIEH-UHFFFAOYSA-N 2 2 279.347 2.721 20 30 CFEDLP C#CC(C)(C)[N@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000796045322 629868604 /nfs/dbraw/zinc/86/86/04/629868604.db2.gz UNLWNJBBLUCXQU-UHFFFAOYSA-N 2 2 299.462 2.542 20 30 CFEDLP C#CC(C)(C)[N@@H+](C)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000796045322 629868610 /nfs/dbraw/zinc/86/86/10/629868610.db2.gz UNLWNJBBLUCXQU-UHFFFAOYSA-N 2 2 299.462 2.542 20 30 CFEDLP C#CC[N@@H+](CCC[NH+](CC)CC)Cc1ccccc1 ZINC000796633325 629943112 /nfs/dbraw/zinc/94/31/12/629943112.db2.gz RZOWNZSOLXCDST-UHFFFAOYSA-N 2 2 258.409 2.854 20 30 CFEDLP C#CC[N@H+](CCC[NH+](CC)CC)Cc1ccccc1 ZINC000796633325 629943113 /nfs/dbraw/zinc/94/31/13/629943113.db2.gz RZOWNZSOLXCDST-UHFFFAOYSA-N 2 2 258.409 2.854 20 30 CFEDLP C=CCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044986 631320135 /nfs/dbraw/zinc/32/01/35/631320135.db2.gz HGERGFDRQCTSFX-BBRMVZONSA-N 2 2 261.413 2.697 20 30 CFEDLP C#C[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843408539 631946598 /nfs/dbraw/zinc/94/65/98/631946598.db2.gz GXLHNYKENUKMAS-NVXWUHKLSA-N 2 2 268.404 2.795 20 30 CFEDLP C#C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843408539 631946601 /nfs/dbraw/zinc/94/66/01/631946601.db2.gz GXLHNYKENUKMAS-NVXWUHKLSA-N 2 2 268.404 2.795 20 30 CFEDLP C=CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000817274630 632591413 /nfs/dbraw/zinc/59/14/13/632591413.db2.gz OTUJRJHJGHETTK-UHFFFAOYSA-N 2 2 288.435 2.915 20 30 CFEDLP C=CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000817274630 632591416 /nfs/dbraw/zinc/59/14/16/632591416.db2.gz OTUJRJHJGHETTK-UHFFFAOYSA-N 2 2 288.435 2.915 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000817916645 632733000 /nfs/dbraw/zinc/73/30/00/632733000.db2.gz ADNNZBOLLYZADD-UNEWFSDZSA-N 2 2 287.407 2.598 20 30 CFEDLP CCOc1cccc(/C=[NH+]\C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000846756890 632787778 /nfs/dbraw/zinc/78/77/78/632787778.db2.gz OLPSFEDIWYFRIW-CDWGSEQTSA-N 2 2 276.380 2.550 20 30 CFEDLP CCCCCCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000818341102 632832486 /nfs/dbraw/zinc/83/24/86/632832486.db2.gz UMSCMEJADDPGNF-JKSUJKDBSA-N 2 2 278.444 2.507 20 30 CFEDLP CCCCCCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000818341102 632832491 /nfs/dbraw/zinc/83/24/91/632832491.db2.gz UMSCMEJADDPGNF-JKSUJKDBSA-N 2 2 278.444 2.507 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C#N)c1O ZINC000866236355 638776637 /nfs/dbraw/zinc/77/66/37/638776637.db2.gz DCXJHYZKGMKDCH-CFVMTHIKSA-N 2 2 285.391 2.541 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C#N)c1O ZINC000866236355 638776638 /nfs/dbraw/zinc/77/66/38/638776638.db2.gz DCXJHYZKGMKDCH-CFVMTHIKSA-N 2 2 285.391 2.541 20 30 CFEDLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866259008 638781983 /nfs/dbraw/zinc/78/19/83/638781983.db2.gz FGYBJLNVFYPVSI-CHWSQXEVSA-N 2 2 298.390 2.756 20 30 CFEDLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866290452 638790218 /nfs/dbraw/zinc/79/02/18/638790218.db2.gz XVOSMMQIOBVJGF-CYBMUJFWSA-N 2 2 287.407 2.787 20 30 CFEDLP CC1(C)CC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)[NH2+]C1 ZINC000873234322 642088561 /nfs/dbraw/zinc/08/85/61/642088561.db2.gz DTJVIGUWHIGFEJ-RDJZCZTQSA-N 2 2 283.419 2.913 20 30 CFEDLP C=CC[C@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000879062348 644129693 /nfs/dbraw/zinc/12/96/93/644129693.db2.gz TXGUWRAHHVGLBT-HNNXBMFYSA-N 2 2 266.429 2.528 20 30 CFEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000091670045 650904671 /nfs/dbraw/zinc/90/46/71/650904671.db2.gz WJKHHUSDWBQRHX-AWEZNQCLSA-N 2 2 287.407 2.503 20 30 CFEDLP CCCCCCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+](C)C ZINC000303719220 651000306 /nfs/dbraw/zinc/00/03/06/651000306.db2.gz VRNRCVCVCCLZDY-MRXNPFEDSA-N 2 2 290.455 2.774 20 30 CFEDLP CCCCNC(=[NH2+])NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000303879098 651005575 /nfs/dbraw/zinc/00/55/75/651005575.db2.gz GLSAAKCDNNDKNG-CQSZACIVSA-N 2 2 296.484 2.835 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)[C@H]1CCCO1 ZINC000883165521 645634764 /nfs/dbraw/zinc/63/47/64/645634764.db2.gz GVCBAKNKYFBLNX-HRCADAONSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)[C@H]1CCCO1 ZINC000883165521 645634765 /nfs/dbraw/zinc/63/47/65/645634765.db2.gz GVCBAKNKYFBLNX-HRCADAONSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@@H]1CCCO1 ZINC000883194492 645655514 /nfs/dbraw/zinc/65/55/14/645655514.db2.gz XFAGGHCYKVODTI-PMPSAXMXSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@@H]1CCCO1 ZINC000883194492 645655516 /nfs/dbraw/zinc/65/55/16/645655516.db2.gz XFAGGHCYKVODTI-PMPSAXMXSA-N 2 2 266.429 2.574 20 30 CFEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCCCC1 ZINC000135159470 646481162 /nfs/dbraw/zinc/48/11/62/646481162.db2.gz YFHQFMQINWUMLE-CQSZACIVSA-N 2 2 251.418 2.780 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[NH+]1CCCCCC1 ZINC000924606156 648005942 /nfs/dbraw/zinc/00/59/42/648005942.db2.gz BAXQCABJNJJAKG-AWEZNQCLSA-N 2 2 251.418 2.780 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)C(C)C ZINC000924644181 648017118 /nfs/dbraw/zinc/01/71/18/648017118.db2.gz UOBRHBFYRAKRMP-XWTMOSNGSA-N 2 2 294.483 2.946 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C)C(C)C ZINC000924644180 648017566 /nfs/dbraw/zinc/01/75/66/648017566.db2.gz UOBRHBFYRAKRMP-XDNAFOTISA-N 2 2 294.483 2.946 20 30 CFEDLP CC[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924963956 648081183 /nfs/dbraw/zinc/08/11/83/648081183.db2.gz NZKCYVZSXCUWHB-INIZCTEOSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CCSCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925591635 648230822 /nfs/dbraw/zinc/23/08/22/648230822.db2.gz RMNDERYKZOLLJV-TZMCWYRMSA-N 2 2 250.411 2.584 20 30 CFEDLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000925620447 648244319 /nfs/dbraw/zinc/24/43/19/648244319.db2.gz GSFXUTMNTPLDHE-CZUORRHYSA-N 2 2 289.448 2.522 20 30 CFEDLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(C#N)ccc1F ZINC000925815066 648331545 /nfs/dbraw/zinc/33/15/45/648331545.db2.gz STWJVHOOSJFEPI-ACJLOTCBSA-N 2 2 297.377 2.745 20 30 CFEDLP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000926227862 648440934 /nfs/dbraw/zinc/44/09/34/648440934.db2.gz HZGOJUDXUAFBLJ-UHFFFAOYSA-N 2 2 286.423 2.553 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000926289864 648455861 /nfs/dbraw/zinc/45/58/61/648455861.db2.gz GQTKYRCIOMZWKZ-HIFRSBDPSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000926289864 648455866 /nfs/dbraw/zinc/45/58/66/648455866.db2.gz GQTKYRCIOMZWKZ-HIFRSBDPSA-N 2 2 263.429 2.921 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926427220 648484054 /nfs/dbraw/zinc/48/40/54/648484054.db2.gz XLKGMJKGZGHHFX-CABCVRRESA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926427220 648484059 /nfs/dbraw/zinc/48/40/59/648484059.db2.gz XLKGMJKGZGHHFX-CABCVRRESA-N 2 2 263.429 2.923 20 30 CFEDLP CCO[C@H](C[NH2+][C@@H](CC)c1ccc(C#N)cc1)C[NH+](C)C ZINC000926958225 648670686 /nfs/dbraw/zinc/67/06/86/648670686.db2.gz FDFVUEFFEKKZNW-SJORKVTESA-N 2 2 289.423 2.566 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927103862 648711835 /nfs/dbraw/zinc/71/18/35/648711835.db2.gz UJDIGGFKXXFFOV-NVXWUHKLSA-N 2 2 280.456 2.964 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927103862 648711840 /nfs/dbraw/zinc/71/18/40/648711840.db2.gz UJDIGGFKXXFFOV-NVXWUHKLSA-N 2 2 280.456 2.964 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931315572 649406184 /nfs/dbraw/zinc/40/61/84/649406184.db2.gz XZFINSAUAWKKDR-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931315572 649406186 /nfs/dbraw/zinc/40/61/86/649406186.db2.gz XZFINSAUAWKKDR-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315572 649406190 /nfs/dbraw/zinc/40/61/90/649406190.db2.gz XZFINSAUAWKKDR-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315572 649406193 /nfs/dbraw/zinc/40/61/93/649406193.db2.gz XZFINSAUAWKKDR-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP N#CC1(CCCC[N@@H+]2CCc3[nH+]ccc(N)c3C2)CCC1 ZINC000931516209 649445846 /nfs/dbraw/zinc/44/58/46/649445846.db2.gz JKXXCWMLGFGXHQ-UHFFFAOYSA-N 2 2 284.407 2.886 20 30 CFEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001232845115 777692151 /nfs/dbraw/zinc/69/21/51/777692151.db2.gz OBAJLQRSKKXKEA-ZDUSSCGKSA-N 2 2 299.399 2.977 20 30 CFEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232845115 777692154 /nfs/dbraw/zinc/69/21/54/777692154.db2.gz OBAJLQRSKKXKEA-ZDUSSCGKSA-N 2 2 299.399 2.977 20 30 CFEDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1C ZINC001233083633 777793267 /nfs/dbraw/zinc/79/32/67/777793267.db2.gz TXRKIWYZODFXCU-UHFFFAOYSA-N 2 2 268.364 2.585 20 30 CFEDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1C ZINC001233083633 777793277 /nfs/dbraw/zinc/79/32/77/777793277.db2.gz TXRKIWYZODFXCU-UHFFFAOYSA-N 2 2 268.364 2.585 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]CC[C@@H](C)[NH+](C)C ZINC000697903563 778516642 /nfs/dbraw/zinc/51/66/42/778516642.db2.gz KVWGQXLDSOQIEF-CQSZACIVSA-N 2 2 262.397 2.681 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236203401 778732546 /nfs/dbraw/zinc/73/25/46/778732546.db2.gz XZZXAXAMOOLIAU-KRWDZBQOSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236203401 778732550 /nfs/dbraw/zinc/73/25/50/778732550.db2.gz XZZXAXAMOOLIAU-KRWDZBQOSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236206233 778735176 /nfs/dbraw/zinc/73/51/76/778735176.db2.gz JHWZOBJOUZVMDI-KRWDZBQOSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1cccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236206233 778735178 /nfs/dbraw/zinc/73/51/78/778735178.db2.gz JHWZOBJOUZVMDI-KRWDZBQOSA-N 2 2 274.408 2.825 20 30 CFEDLP N#Cc1ccc(CCC[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236216535 778740246 /nfs/dbraw/zinc/74/02/46/778740246.db2.gz QLVCZRKUPLCZHP-SFHVURJKSA-N 2 2 283.419 2.707 20 30 CFEDLP N#Cc1ccc(CCC[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236216535 778740247 /nfs/dbraw/zinc/74/02/47/778740247.db2.gz QLVCZRKUPLCZHP-SFHVURJKSA-N 2 2 283.419 2.707 20 30 CFEDLP C#CCCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388577 778798308 /nfs/dbraw/zinc/79/83/08/778798308.db2.gz MOQOERVALLXONL-KRWDZBQOSA-N 2 2 274.383 2.793 20 30 CFEDLP C#CCCC[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388577 778798315 /nfs/dbraw/zinc/79/83/15/778798315.db2.gz MOQOERVALLXONL-KRWDZBQOSA-N 2 2 274.383 2.793 20 30 CFEDLP CCCCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236424275 778819276 /nfs/dbraw/zinc/81/92/76/778819276.db2.gz UHSKGWYUVCZVEP-JKSUJKDBSA-N 2 2 270.461 2.911 20 30 CFEDLP CCCCCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236424275 778819282 /nfs/dbraw/zinc/81/92/82/778819282.db2.gz UHSKGWYUVCZVEP-JKSUJKDBSA-N 2 2 270.461 2.911 20 30 CFEDLP C#Cc1cccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001231662171 778867324 /nfs/dbraw/zinc/86/73/24/778867324.db2.gz BSQQYRQNHNZDEV-UHFFFAOYSA-N 2 2 270.420 2.973 20 30 CFEDLP C#Cc1cccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1 ZINC001231662171 778867336 /nfs/dbraw/zinc/86/73/36/778867336.db2.gz BSQQYRQNHNZDEV-UHFFFAOYSA-N 2 2 270.420 2.973 20 30 CFEDLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(Cl)cc(C#N)c1 ZINC001237756222 779175729 /nfs/dbraw/zinc/17/57/29/779175729.db2.gz XSTVIPGNOOISHB-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Cl)cc(C#N)c1 ZINC001237756222 779175731 /nfs/dbraw/zinc/17/57/31/779175731.db2.gz XSTVIPGNOOISHB-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP N#Cc1ccc2c(c1)CC[N@@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238106633 779254675 /nfs/dbraw/zinc/25/46/75/779254675.db2.gz LTVWXRAYUGYZMH-UHFFFAOYSA-N 2 2 288.354 2.764 20 30 CFEDLP N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc3c[nH+]cn31)C2 ZINC001238106633 779254676 /nfs/dbraw/zinc/25/46/76/779254676.db2.gz LTVWXRAYUGYZMH-UHFFFAOYSA-N 2 2 288.354 2.764 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000921701961 780181061 /nfs/dbraw/zinc/18/10/61/780181061.db2.gz FPDCGWCPEQECLO-CQSZACIVSA-N 2 2 286.419 2.750 20 30 CFEDLP N#Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594522500 349441655 /nfs/dbraw/zinc/44/16/55/349441655.db2.gz YUPFFNZVMBBAIL-SJORKVTESA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594522500 349441658 /nfs/dbraw/zinc/44/16/58/349441658.db2.gz YUPFFNZVMBBAIL-SJORKVTESA-N 2 2 269.392 2.665 20 30 CFEDLP CC(C)(C)[NH2+]CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594736811 349484857 /nfs/dbraw/zinc/48/48/57/349484857.db2.gz WDQSVBOWLKYZHT-UHFFFAOYSA-N 2 2 259.397 2.771 20 30 CFEDLP N#CC1(c2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2)CC1 ZINC000594922262 349509563 /nfs/dbraw/zinc/50/95/63/349509563.db2.gz JOCCNDFVXNRKMG-UHFFFAOYSA-N 2 2 280.375 2.618 20 30 CFEDLP C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000595385911 349613620 /nfs/dbraw/zinc/61/36/20/349613620.db2.gz AVQFWURWGGYRIQ-CRAIPNDOSA-N 2 2 294.402 2.880 20 30 CFEDLP C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000595385911 349613621 /nfs/dbraw/zinc/61/36/21/349613621.db2.gz AVQFWURWGGYRIQ-CRAIPNDOSA-N 2 2 294.402 2.880 20 30 CFEDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000045094569 346403351 /nfs/dbraw/zinc/40/33/51/346403351.db2.gz WZUXIKXMKAVIOQ-CQSZACIVSA-N 2 2 268.364 2.886 20 30 CFEDLP Cc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2)[NH+](C)C)cc1 ZINC000066243778 346751344 /nfs/dbraw/zinc/75/13/44/346751344.db2.gz ABFUFXXJIISXCZ-QGZVFWFLSA-N 2 2 296.418 2.834 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000090047571 347536562 /nfs/dbraw/zinc/53/65/62/347536562.db2.gz MOHHOHXUUQAQJB-HOTGVXAUSA-N 2 2 268.445 2.822 20 30 CFEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000328388056 348440367 /nfs/dbraw/zinc/44/03/67/348440367.db2.gz XBHGLYCDPVVPJX-BBRMVZONSA-N 2 2 257.381 2.693 20 30 CFEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000328388056 348440370 /nfs/dbraw/zinc/44/03/70/348440370.db2.gz XBHGLYCDPVVPJX-BBRMVZONSA-N 2 2 257.381 2.693 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000589350024 348829197 /nfs/dbraw/zinc/82/91/97/348829197.db2.gz UFLQOKCKFAKOLW-GOEBONIOSA-N 2 2 292.386 2.806 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000589350024 348829201 /nfs/dbraw/zinc/82/92/01/348829201.db2.gz UFLQOKCKFAKOLW-GOEBONIOSA-N 2 2 292.386 2.806 20 30 CFEDLP Cc1cccc2[nH+]c(CC[NH2+]Cc3cc(C#N)cs3)cn21 ZINC000592379038 349112763 /nfs/dbraw/zinc/11/27/63/349112763.db2.gz JPVMSXMDMWWHDX-UHFFFAOYSA-N 2 2 296.399 2.908 20 30 CFEDLP N#CC1(C[NH2+]Cc2cccc3[nH+]ccn32)CCCC1 ZINC000593653645 349305215 /nfs/dbraw/zinc/30/52/15/349305215.db2.gz UTGWKMSNWOTPRC-UHFFFAOYSA-N 2 2 254.337 2.508 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721407 180031939 /nfs/dbraw/zinc/03/19/39/180031939.db2.gz STKIWLIQDKYINU-ZBFHGGJFSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721407 180031942 /nfs/dbraw/zinc/03/19/42/180031942.db2.gz STKIWLIQDKYINU-ZBFHGGJFSA-N 2 2 274.408 2.824 20 30 CFEDLP N#Cc1csc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000598918704 350346822 /nfs/dbraw/zinc/34/68/22/350346822.db2.gz VZNXUFVSVUDAOF-UHFFFAOYSA-N 2 2 299.390 2.686 20 30 CFEDLP C=CC(C)(C)CC[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000600182962 350533803 /nfs/dbraw/zinc/53/38/03/350533803.db2.gz BDFBWHXDYDFLNE-UHFFFAOYSA-N 2 2 296.455 2.596 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC000600711605 350600284 /nfs/dbraw/zinc/60/02/84/350600284.db2.gz SLGJPFBNGANTGE-WQVCFCJDSA-N 2 2 257.381 2.739 20 30 CFEDLP N#CCC[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601970068 350821691 /nfs/dbraw/zinc/82/16/91/350821691.db2.gz WWUWGVCCHCTKOT-QGZVFWFLSA-N 2 2 271.408 2.934 20 30 CFEDLP N#CCC[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601970068 350821693 /nfs/dbraw/zinc/82/16/93/350821693.db2.gz WWUWGVCCHCTKOT-QGZVFWFLSA-N 2 2 271.408 2.934 20 30 CFEDLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cccc(F)c1C#N ZINC000602021362 350833878 /nfs/dbraw/zinc/83/38/78/350833878.db2.gz SQPWDFZDPJLIBD-UHFFFAOYSA-N 2 2 277.387 2.765 20 30 CFEDLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1C#N ZINC000602021362 350833880 /nfs/dbraw/zinc/83/38/80/350833880.db2.gz SQPWDFZDPJLIBD-UHFFFAOYSA-N 2 2 277.387 2.765 20 30 CFEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000602482507 350900822 /nfs/dbraw/zinc/90/08/22/350900822.db2.gz HAOPKYFSGVNEDP-QLFBSQMISA-N 2 2 260.385 2.706 20 30 CFEDLP C[C@H](CCC#N)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000602482507 350900828 /nfs/dbraw/zinc/90/08/28/350900828.db2.gz HAOPKYFSGVNEDP-QLFBSQMISA-N 2 2 260.385 2.706 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000602530760 350916041 /nfs/dbraw/zinc/91/60/41/350916041.db2.gz SOWIPYZHLUHLDT-OAHLLOKOSA-N 2 2 259.397 2.648 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000602530760 350916044 /nfs/dbraw/zinc/91/60/44/350916044.db2.gz SOWIPYZHLUHLDT-OAHLLOKOSA-N 2 2 259.397 2.648 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000602551557 350921936 /nfs/dbraw/zinc/92/19/36/350921936.db2.gz PDODYBDNOFKSJQ-OAHLLOKOSA-N 2 2 285.435 2.615 20 30 CFEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611235431 351654303 /nfs/dbraw/zinc/65/43/03/351654303.db2.gz SLUACZXSGUHFSN-INIZCTEOSA-N 2 2 296.374 2.600 20 30 CFEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000611235431 351654306 /nfs/dbraw/zinc/65/43/06/351654306.db2.gz SLUACZXSGUHFSN-INIZCTEOSA-N 2 2 296.374 2.600 20 30 CFEDLP N#Cc1csc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000611268152 351660778 /nfs/dbraw/zinc/66/07/78/351660778.db2.gz WPNOXLUGUIQUMQ-ZDUSSCGKSA-N 2 2 272.377 2.653 20 30 CFEDLP N#Cc1csc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000611268152 351660780 /nfs/dbraw/zinc/66/07/80/351660780.db2.gz WPNOXLUGUIQUMQ-ZDUSSCGKSA-N 2 2 272.377 2.653 20 30 CFEDLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000610992576 351630310 /nfs/dbraw/zinc/63/03/10/351630310.db2.gz RURUXFNNHBAFCN-MRXNPFEDSA-N 2 2 296.374 2.600 20 30 CFEDLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000610992576 351630313 /nfs/dbraw/zinc/63/03/13/351630313.db2.gz RURUXFNNHBAFCN-MRXNPFEDSA-N 2 2 296.374 2.600 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnc(C)nc2C)CC1 ZINC000152979936 188056566 /nfs/dbraw/zinc/05/65/66/188056566.db2.gz CIWYXXOVNVZOSN-CQSZACIVSA-N 2 2 288.439 2.785 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000623889388 353750514 /nfs/dbraw/zinc/75/05/14/353750514.db2.gz LYHDHOQXJJWNME-GFCCVEGCSA-N 2 2 265.426 2.753 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628212114 354479287 /nfs/dbraw/zinc/47/92/87/354479287.db2.gz KKEBSFXFFNCYRA-UHFFFAOYSA-N 2 2 275.396 2.682 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cc(OC)ccc32)CC1 ZINC000631581857 355500669 /nfs/dbraw/zinc/50/06/69/355500669.db2.gz PZICZPNYGQSZNY-SFHVURJKSA-N 2 2 286.419 2.923 20 30 CFEDLP [NH2+]=C(NCCCc1[nH]c2ccccc2[nH+]1)NC1CCCCC1 ZINC000264077215 383693177 /nfs/dbraw/zinc/69/31/77/383693177.db2.gz GEKZCWDOUACUQT-UHFFFAOYSA-N 2 2 299.422 2.733 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000076091818 374533260 /nfs/dbraw/zinc/53/32/60/374533260.db2.gz ALTVLBXAXVIKNL-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP CC(C)(CCC#N)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092659337 375135041 /nfs/dbraw/zinc/13/50/41/375135041.db2.gz MFVVRXWSTLLDHR-UHFFFAOYSA-N 2 2 260.385 2.850 20 30 CFEDLP C#CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093644610 375281209 /nfs/dbraw/zinc/28/12/09/375281209.db2.gz MHKBPZWBRNLSIU-DOTOQJQBSA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093644610 375281212 /nfs/dbraw/zinc/28/12/12/375281212.db2.gz MHKBPZWBRNLSIU-DOTOQJQBSA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644610 375281216 /nfs/dbraw/zinc/28/12/16/375281216.db2.gz MHKBPZWBRNLSIU-DOTOQJQBSA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644610 375281221 /nfs/dbraw/zinc/28/12/21/375281221.db2.gz MHKBPZWBRNLSIU-DOTOQJQBSA-N 2 2 286.419 2.613 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CNc1cc[nH+]cc1F)C(C)C ZINC000678788773 542069885 /nfs/dbraw/zinc/06/98/85/542069885.db2.gz NTIUVCRKULRDOC-MRXNPFEDSA-N 2 2 277.387 2.753 20 30 CFEDLP COc1cc(C#N)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000121161929 376773017 /nfs/dbraw/zinc/77/30/17/376773017.db2.gz YDCVDGMIXCMKDW-UHFFFAOYSA-N 2 2 296.374 2.600 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150775477 378271359 /nfs/dbraw/zinc/27/13/59/378271359.db2.gz OBVMFCVUBDAWSB-OAHLLOKOSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150775477 378271369 /nfs/dbraw/zinc/27/13/69/378271369.db2.gz OBVMFCVUBDAWSB-OAHLLOKOSA-N 2 2 287.382 2.615 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)C(C)C ZINC000152067312 378389290 /nfs/dbraw/zinc/38/92/90/378389290.db2.gz IJTCHJNOKVOOEY-BBWFWOEESA-N 2 2 280.456 2.700 20 30 CFEDLP Cc1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)ccc1C#N ZINC000331778480 378714389 /nfs/dbraw/zinc/71/43/89/378714389.db2.gz KOMMJAVMZWMESQ-MRXNPFEDSA-N 2 2 280.375 2.730 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1C#N ZINC000335686330 379721037 /nfs/dbraw/zinc/72/10/37/379721037.db2.gz IAMLYBLEFQSQQO-IAGOWNOFSA-N 2 2 269.392 2.583 20 30 CFEDLP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)ccc1C#N ZINC000335686330 379721041 /nfs/dbraw/zinc/72/10/41/379721041.db2.gz IAMLYBLEFQSQQO-IAGOWNOFSA-N 2 2 269.392 2.583 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173875591 379790835 /nfs/dbraw/zinc/79/08/35/379790835.db2.gz KVGAZOSLDVEARY-MRXNPFEDSA-N 2 2 283.419 2.866 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173875591 379790839 /nfs/dbraw/zinc/79/08/39/379790839.db2.gz KVGAZOSLDVEARY-MRXNPFEDSA-N 2 2 283.419 2.866 20 30 CFEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000174945234 379967080 /nfs/dbraw/zinc/96/70/80/379967080.db2.gz AMURTVBPGNJAFS-OAHLLOKOSA-N 2 2 271.408 2.722 20 30 CFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000174945234 379967084 /nfs/dbraw/zinc/96/70/84/379967084.db2.gz AMURTVBPGNJAFS-OAHLLOKOSA-N 2 2 271.408 2.722 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000174945234 379967087 /nfs/dbraw/zinc/96/70/87/379967087.db2.gz AMURTVBPGNJAFS-OAHLLOKOSA-N 2 2 271.408 2.722 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000174945234 379967091 /nfs/dbraw/zinc/96/70/91/379967091.db2.gz AMURTVBPGNJAFS-OAHLLOKOSA-N 2 2 271.408 2.722 20 30 CFEDLP N#CC1(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000335815364 379933810 /nfs/dbraw/zinc/93/38/10/379933810.db2.gz QODGJDGGOYMVGE-CQSZACIVSA-N 2 2 284.407 2.703 20 30 CFEDLP N#CC1(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000335815364 379933813 /nfs/dbraw/zinc/93/38/13/379933813.db2.gz QODGJDGGOYMVGE-CQSZACIVSA-N 2 2 284.407 2.703 20 30 CFEDLP N#CC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000336390107 380336742 /nfs/dbraw/zinc/33/67/42/380336742.db2.gz VOXYIIFWKAXLHX-UHFFFAOYSA-N 2 2 272.377 2.669 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)s1 ZINC000176945834 380285999 /nfs/dbraw/zinc/28/59/99/380285999.db2.gz XSFZQANSEBAGAM-UHFFFAOYSA-N 2 2 282.372 2.600 20 30 CFEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)NC1CCCCCC1 ZINC000179861072 380588180 /nfs/dbraw/zinc/58/81/80/380588180.db2.gz FSUHAVCSIKPOPC-UHFFFAOYSA-N 2 2 289.427 2.511 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000181716570 380873077 /nfs/dbraw/zinc/87/30/77/380873077.db2.gz FOMVGPPJVLRRIG-AWEZNQCLSA-N 2 2 269.392 2.859 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000181716436 380874012 /nfs/dbraw/zinc/87/40/12/380874012.db2.gz UDUPCFFOCYFJGH-AWEZNQCLSA-N 2 2 269.392 2.859 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000368137288 380940825 /nfs/dbraw/zinc/94/08/25/380940825.db2.gz ZBNSDTVWQKWDJO-MRXNPFEDSA-N 2 2 297.402 2.974 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000368137288 380940834 /nfs/dbraw/zinc/94/08/34/380940834.db2.gz ZBNSDTVWQKWDJO-MRXNPFEDSA-N 2 2 297.402 2.974 20 30 CFEDLP CC[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000290110885 381303007 /nfs/dbraw/zinc/30/30/07/381303007.db2.gz SRLFTTKOXQAOMZ-CQSZACIVSA-N 2 2 282.391 2.917 20 30 CFEDLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000290110885 381303017 /nfs/dbraw/zinc/30/30/17/381303017.db2.gz SRLFTTKOXQAOMZ-CQSZACIVSA-N 2 2 282.391 2.917 20 30 CFEDLP CCC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000290052234 381278191 /nfs/dbraw/zinc/27/81/91/381278191.db2.gz OUMMLVZGEOBSAL-UHFFFAOYSA-N 2 2 282.391 2.746 20 30 CFEDLP CCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000290052234 381278197 /nfs/dbraw/zinc/27/81/97/381278197.db2.gz OUMMLVZGEOBSAL-UHFFFAOYSA-N 2 2 282.391 2.746 20 30 CFEDLP C=C[C@@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348348558 381523231 /nfs/dbraw/zinc/52/32/31/381523231.db2.gz APSAURVTJUJGBI-GFCCVEGCSA-N 2 2 265.426 2.745 20 30 CFEDLP C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348348558 381523234 /nfs/dbraw/zinc/52/32/34/381523234.db2.gz APSAURVTJUJGBI-GFCCVEGCSA-N 2 2 265.426 2.745 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000414551337 381595757 /nfs/dbraw/zinc/59/57/57/381595757.db2.gz OPELSRPSUOBDGD-ZDUSSCGKSA-N 2 2 297.324 2.761 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000414551337 381595767 /nfs/dbraw/zinc/59/57/67/381595767.db2.gz OPELSRPSUOBDGD-ZDUSSCGKSA-N 2 2 297.324 2.761 20 30 CFEDLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000371507132 381647753 /nfs/dbraw/zinc/64/77/53/381647753.db2.gz YDQZEILQJNGLQF-AWEZNQCLSA-N 2 2 294.402 2.984 20 30 CFEDLP C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675988 381701569 /nfs/dbraw/zinc/70/15/69/381701569.db2.gz DZESIXAWNHOUCB-JYJNAYRXSA-N 2 2 288.439 2.673 20 30 CFEDLP C[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675988 381701575 /nfs/dbraw/zinc/70/15/75/381701575.db2.gz DZESIXAWNHOUCB-JYJNAYRXSA-N 2 2 288.439 2.673 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ncccc2CC)CC1 ZINC000356870632 381876127 /nfs/dbraw/zinc/87/61/27/381876127.db2.gz OGKOBHYEJSLSDL-AWEZNQCLSA-N 2 2 273.424 2.945 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000373107608 381929027 /nfs/dbraw/zinc/92/90/27/381929027.db2.gz VDJWIRVVVCTBTO-CQSZACIVSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000373107608 381929031 /nfs/dbraw/zinc/92/90/31/381929031.db2.gz VDJWIRVVVCTBTO-CQSZACIVSA-N 2 2 298.365 2.810 20 30 CFEDLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1C#N ZINC000349423401 381933443 /nfs/dbraw/zinc/93/34/43/381933443.db2.gz XFTUPRLYGLRVMU-UHFFFAOYSA-N 2 2 268.364 2.585 20 30 CFEDLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1C#N ZINC000349423401 381933448 /nfs/dbraw/zinc/93/34/48/381933448.db2.gz XFTUPRLYGLRVMU-UHFFFAOYSA-N 2 2 268.364 2.585 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000352106478 382175591 /nfs/dbraw/zinc/17/55/91/382175591.db2.gz WOSLSLBBYWHWSD-SJORKVTESA-N 2 2 274.408 2.614 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000352106478 382175596 /nfs/dbraw/zinc/17/55/96/382175596.db2.gz WOSLSLBBYWHWSD-SJORKVTESA-N 2 2 274.408 2.614 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000293474174 382136821 /nfs/dbraw/zinc/13/68/21/382136821.db2.gz FFWFFRJKHYQTLB-UHFFFAOYSA-N 2 2 280.799 2.786 20 30 CFEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(C#N)c1)CCC2 ZINC000377830278 382354478 /nfs/dbraw/zinc/35/44/78/382354478.db2.gz CJCKLNLWXTWIAK-INIZCTEOSA-N 2 2 280.375 2.730 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000365673433 382430797 /nfs/dbraw/zinc/43/07/97/382430797.db2.gz WHTCTEOCLPGHOI-AWEZNQCLSA-N 2 2 274.412 2.929 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000365673433 382430801 /nfs/dbraw/zinc/43/08/01/382430801.db2.gz WHTCTEOCLPGHOI-AWEZNQCLSA-N 2 2 274.412 2.929 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c(F)c1 ZINC000365551139 382410913 /nfs/dbraw/zinc/41/09/13/382410913.db2.gz VKBYLLASXRHZGF-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c(F)c1 ZINC000365551139 382410918 /nfs/dbraw/zinc/41/09/18/382410918.db2.gz VKBYLLASXRHZGF-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c(F)c1 ZINC000365551139 382410922 /nfs/dbraw/zinc/41/09/22/382410922.db2.gz VKBYLLASXRHZGF-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c(F)c1 ZINC000365551139 382410932 /nfs/dbraw/zinc/41/09/32/382410932.db2.gz VKBYLLASXRHZGF-RYRKJORJSA-N 2 2 299.393 2.613 20 30 CFEDLP C=CCOc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000352929092 382482611 /nfs/dbraw/zinc/48/26/11/382482611.db2.gz GCCVSMDGJXDUDJ-NVXWUHKLSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000352929092 382482617 /nfs/dbraw/zinc/48/26/17/382482617.db2.gz GCCVSMDGJXDUDJ-NVXWUHKLSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000352929092 382482623 /nfs/dbraw/zinc/48/26/23/382482623.db2.gz GCCVSMDGJXDUDJ-NVXWUHKLSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000352929092 382482625 /nfs/dbraw/zinc/48/26/25/382482625.db2.gz GCCVSMDGJXDUDJ-NVXWUHKLSA-N 2 2 286.419 2.777 20 30 CFEDLP CC[NH+](CC)CCC[N@H+](CCC#N)CC(C)(C)C ZINC000191793799 382702559 /nfs/dbraw/zinc/70/25/59/382702559.db2.gz FVZNTPRUXHGXMC-UHFFFAOYSA-N 2 2 253.434 2.980 20 30 CFEDLP CC[NH+](CC)CCC[N@@H+](CCC#N)CC(C)(C)C ZINC000191793799 382702560 /nfs/dbraw/zinc/70/25/60/382702560.db2.gz FVZNTPRUXHGXMC-UHFFFAOYSA-N 2 2 253.434 2.980 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192047965 382704464 /nfs/dbraw/zinc/70/44/64/382704464.db2.gz OFZPFHLNXLZIHE-GOSISDBHSA-N 2 2 270.420 2.702 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192047965 382704465 /nfs/dbraw/zinc/70/44/65/382704465.db2.gz OFZPFHLNXLZIHE-GOSISDBHSA-N 2 2 270.420 2.702 20 30 CFEDLP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)CCC#N ZINC000192062965 382704470 /nfs/dbraw/zinc/70/44/70/382704470.db2.gz YXFGVSBMCVOGGU-UHFFFAOYSA-N 2 2 254.337 2.526 20 30 CFEDLP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)CCC#N ZINC000192062965 382704471 /nfs/dbraw/zinc/70/44/71/382704471.db2.gz YXFGVSBMCVOGGU-UHFFFAOYSA-N 2 2 254.337 2.526 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCC#N ZINC000192062965 382704472 /nfs/dbraw/zinc/70/44/72/382704472.db2.gz YXFGVSBMCVOGGU-UHFFFAOYSA-N 2 2 254.337 2.526 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCC#N ZINC000192062965 382704473 /nfs/dbraw/zinc/70/44/73/382704473.db2.gz YXFGVSBMCVOGGU-UHFFFAOYSA-N 2 2 254.337 2.526 20 30 CFEDLP C=CCSCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000222063844 382800718 /nfs/dbraw/zinc/80/07/18/382800718.db2.gz VDWAHNGYBDUKIJ-UHFFFAOYSA-N 2 2 273.405 2.881 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000442839773 382960170 /nfs/dbraw/zinc/96/01/70/382960170.db2.gz XXPNNNIAQSCWET-XJNFMUPTSA-N 2 2 271.408 2.960 20 30 CFEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000578589552 382933520 /nfs/dbraw/zinc/93/35/20/382933520.db2.gz ZFEBUTRNFVXQAV-HNNXBMFYSA-N 2 2 293.455 2.501 20 30 CFEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000578589552 382933524 /nfs/dbraw/zinc/93/35/24/382933524.db2.gz ZFEBUTRNFVXQAV-HNNXBMFYSA-N 2 2 293.455 2.501 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000245953325 383053222 /nfs/dbraw/zinc/05/32/22/383053222.db2.gz PWRBZEVRUVMJEJ-DLBZAZTESA-N 2 2 280.456 2.678 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000245953325 383053228 /nfs/dbraw/zinc/05/32/28/383053228.db2.gz PWRBZEVRUVMJEJ-DLBZAZTESA-N 2 2 280.456 2.678 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3cccnc3o2)CC1 ZINC000449120447 383179638 /nfs/dbraw/zinc/17/96/38/383179638.db2.gz CZOSFFIXUUFJHX-UHFFFAOYSA-N 2 2 285.391 2.958 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000516843185 383168455 /nfs/dbraw/zinc/16/84/55/383168455.db2.gz OWZXMXRVPUQJBI-XOKHGSTOSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000516843185 383168457 /nfs/dbraw/zinc/16/84/57/383168457.db2.gz OWZXMXRVPUQJBI-XOKHGSTOSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000516843185 383168460 /nfs/dbraw/zinc/16/84/60/383168460.db2.gz OWZXMXRVPUQJBI-XOKHGSTOSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000516843185 383168463 /nfs/dbraw/zinc/16/84/63/383168463.db2.gz OWZXMXRVPUQJBI-XOKHGSTOSA-N 2 2 269.392 2.788 20 30 CFEDLP Cc1cc(NC[C@H](c2ccco2)[NH+]2CCCC2)c(C#N)c[nH+]1 ZINC000425201714 383339458 /nfs/dbraw/zinc/33/94/58/383339458.db2.gz OCACKHFTNXFSHU-MRXNPFEDSA-N 2 2 296.374 2.526 20 30 CFEDLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000248845877 383297400 /nfs/dbraw/zinc/29/74/00/383297400.db2.gz OFQNSKHSQPKBTM-RBSFLKMASA-N 2 2 251.418 2.635 20 30 CFEDLP Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](CC#N)C2)c[nH+]1 ZINC000449445138 383297402 /nfs/dbraw/zinc/29/74/02/383297402.db2.gz GYAFBYODFVLANQ-HOCLYGCPSA-N 2 2 257.381 2.995 20 30 CFEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249034733 383319636 /nfs/dbraw/zinc/31/96/36/383319636.db2.gz SBRPMIAXESWHFZ-BZUAXINKSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249034733 383319639 /nfs/dbraw/zinc/31/96/39/383319639.db2.gz SBRPMIAXESWHFZ-BZUAXINKSA-N 2 2 263.429 2.923 20 30 CFEDLP Cc1cc(N2CCC(CCC[NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000425249035 383350097 /nfs/dbraw/zinc/35/00/97/383350097.db2.gz SHCLNBUGQKHMRR-UHFFFAOYSA-N 2 2 286.423 2.820 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449520843 383353501 /nfs/dbraw/zinc/35/35/01/383353501.db2.gz QQKNWGIAWKJISO-SPUZQDLCSA-N 2 2 286.419 2.583 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000449520843 383353503 /nfs/dbraw/zinc/35/35/03/383353503.db2.gz QQKNWGIAWKJISO-SPUZQDLCSA-N 2 2 286.419 2.583 20 30 CFEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]CCCc1c[nH+]ccc1C ZINC000449549654 383355822 /nfs/dbraw/zinc/35/58/22/383355822.db2.gz ZTALOOIVIJHKMX-CVEARBPZSA-N 2 2 260.381 2.646 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000634959893 383427401 /nfs/dbraw/zinc/42/74/01/383427401.db2.gz DPUILGZAYIRQBZ-UHFFFAOYSA-N 2 2 289.354 2.707 20 30 CFEDLP C=CC[N@H+](Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261903924 383578505 /nfs/dbraw/zinc/57/85/05/383578505.db2.gz WOISOZWJKKTSPQ-MRXNPFEDSA-N 2 2 262.372 2.813 20 30 CFEDLP C=CC[N@@H+](Cc1ccccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261903924 383578509 /nfs/dbraw/zinc/57/85/09/383578509.db2.gz WOISOZWJKKTSPQ-MRXNPFEDSA-N 2 2 262.372 2.813 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000435747613 383779979 /nfs/dbraw/zinc/77/99/79/383779979.db2.gz JZMPGDLZUDXZBW-ZBFHGGJFSA-N 2 2 285.391 2.714 20 30 CFEDLP N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266930465 384263075 /nfs/dbraw/zinc/26/30/75/384263075.db2.gz OMYHBQIDWAJWFO-HNNXBMFYSA-N 2 2 296.374 2.540 20 30 CFEDLP N#Cc1ccccc1OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266930465 384263079 /nfs/dbraw/zinc/26/30/79/384263079.db2.gz OMYHBQIDWAJWFO-HNNXBMFYSA-N 2 2 296.374 2.540 20 30 CFEDLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(C#N)c1 ZINC000289349808 197306860 /nfs/dbraw/zinc/30/68/60/197306860.db2.gz XHBXROVUHOOGLX-UHFFFAOYSA-N 2 2 265.360 2.984 20 30 CFEDLP C#CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272588934 385569868 /nfs/dbraw/zinc/56/98/68/385569868.db2.gz HPDVVYKWSBZTPY-PKOBYXMFSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272588934 385569869 /nfs/dbraw/zinc/56/98/69/385569869.db2.gz HPDVVYKWSBZTPY-PKOBYXMFSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272588934 385569871 /nfs/dbraw/zinc/56/98/71/385569871.db2.gz HPDVVYKWSBZTPY-PKOBYXMFSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCCOc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000272588934 385569873 /nfs/dbraw/zinc/56/98/73/385569873.db2.gz HPDVVYKWSBZTPY-PKOBYXMFSA-N 2 2 298.430 2.615 20 30 CFEDLP C[N@@H+](CC#Cc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000192043431 130356873 /nfs/dbraw/zinc/35/68/73/130356873.db2.gz XMIZURATVHWJBG-SFHVURJKSA-N 2 2 270.420 2.844 20 30 CFEDLP C[N@H+](CC#Cc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000192043431 130356874 /nfs/dbraw/zinc/35/68/74/130356874.db2.gz XMIZURATVHWJBG-SFHVURJKSA-N 2 2 270.420 2.844 20 30 CFEDLP C[NH+](CC#Cc1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000192043431 130356876 /nfs/dbraw/zinc/35/68/76/130356876.db2.gz XMIZURATVHWJBG-SFHVURJKSA-N 2 2 270.420 2.844 20 30 CFEDLP C[NH+](CC#Cc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000192043431 130356877 /nfs/dbraw/zinc/35/68/77/130356877.db2.gz XMIZURATVHWJBG-SFHVURJKSA-N 2 2 270.420 2.844 20 30 CFEDLP C#CCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282024182 394112991 /nfs/dbraw/zinc/11/29/91/394112991.db2.gz KMSZZKIHXUQRKT-OAHLLOKOSA-N 2 2 271.408 2.812 20 30 CFEDLP C#CCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282024182 394112996 /nfs/dbraw/zinc/11/29/96/394112996.db2.gz KMSZZKIHXUQRKT-OAHLLOKOSA-N 2 2 271.408 2.812 20 30 CFEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000159226396 394364661 /nfs/dbraw/zinc/36/46/61/394364661.db2.gz SPSQRQNJDKGUHS-UHFFFAOYSA-N 2 2 286.354 2.724 20 30 CFEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000159226396 394364662 /nfs/dbraw/zinc/36/46/62/394364662.db2.gz SPSQRQNJDKGUHS-UHFFFAOYSA-N 2 2 286.354 2.724 20 30 CFEDLP COc1ccc(C#N)cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367216358 156298814 /nfs/dbraw/zinc/29/88/14/156298814.db2.gz BZAFINSJJLXONH-SJPCQFCGSA-N 2 2 299.418 2.624 20 30 CFEDLP COc1ccc(C#N)cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367216358 156298819 /nfs/dbraw/zinc/29/88/19/156298819.db2.gz BZAFINSJJLXONH-SJPCQFCGSA-N 2 2 299.418 2.624 20 30 CFEDLP COc1ccc(C#N)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367216358 156298822 /nfs/dbraw/zinc/29/88/22/156298822.db2.gz BZAFINSJJLXONH-SJPCQFCGSA-N 2 2 299.418 2.624 20 30 CFEDLP COc1ccc(C#N)cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367216358 156298826 /nfs/dbraw/zinc/29/88/26/156298826.db2.gz BZAFINSJJLXONH-SJPCQFCGSA-N 2 2 299.418 2.624 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)C2 ZINC000376494325 157362545 /nfs/dbraw/zinc/36/25/45/157362545.db2.gz ZURFZTVHZXTHJS-CZUORRHYSA-N 2 2 280.375 2.729 20 30 CFEDLP N#Cc1ccc(C[NH2+]CC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000352839464 163249498 /nfs/dbraw/zinc/24/94/98/163249498.db2.gz KJLKXDHRWFXDCH-UHFFFAOYSA-N 2 2 297.324 2.762 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651700886 413579767 /nfs/dbraw/zinc/57/97/67/413579767.db2.gz XVUOEVZENUHOKW-UHFFFAOYSA-N 2 2 285.391 2.958 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)CCCOC ZINC000657888105 414027664 /nfs/dbraw/zinc/02/76/64/414027664.db2.gz JLGIAHUZLWIHIA-CVEARBPZSA-N 2 2 268.445 2.679 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)CCCOC ZINC000657888105 414027666 /nfs/dbraw/zinc/02/76/66/414027666.db2.gz JLGIAHUZLWIHIA-CVEARBPZSA-N 2 2 268.445 2.679 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000658025414 414113529 /nfs/dbraw/zinc/11/35/29/414113529.db2.gz BKOGPYJBAIIPEP-IKGGRYGDSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000658025414 414113535 /nfs/dbraw/zinc/11/35/35/414113535.db2.gz BKOGPYJBAIIPEP-IKGGRYGDSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000665238411 414196165 /nfs/dbraw/zinc/19/61/65/414196165.db2.gz XXIQWBWBABXQBG-JKSUJKDBSA-N 2 2 260.381 2.654 20 30 CFEDLP COC1CC[NH+](C(C)(C)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000344507803 225088459 /nfs/dbraw/zinc/08/84/59/225088459.db2.gz ADJLZRUIRDRBRJ-UHFFFAOYSA-N 2 2 295.471 2.795 20 30 CFEDLP N#CCc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000332391550 228157601 /nfs/dbraw/zinc/15/76/01/228157601.db2.gz ZSGKWKYDDVZZSJ-INIZCTEOSA-N 2 2 280.375 2.855 20 30 CFEDLP N#CCc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000332391550 228157602 /nfs/dbraw/zinc/15/76/02/228157602.db2.gz ZSGKWKYDDVZZSJ-INIZCTEOSA-N 2 2 280.375 2.855 20 30 CFEDLP C#CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000179453361 260048709 /nfs/dbraw/zinc/04/87/09/260048709.db2.gz OZKBUNVVOCTFMK-KRWDZBQOSA-N 2 2 265.360 2.506 20 30 CFEDLP C#CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000179453361 260048710 /nfs/dbraw/zinc/04/87/10/260048710.db2.gz OZKBUNVVOCTFMK-KRWDZBQOSA-N 2 2 265.360 2.506 20 30 CFEDLP C=CC[C@H](C)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356886791 260114436 /nfs/dbraw/zinc/11/44/36/260114436.db2.gz YLPDCNXNTBCRGO-NSHDSACASA-N 2 2 264.335 2.957 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000297775982 260133976 /nfs/dbraw/zinc/13/39/76/260133976.db2.gz PKFCBNIRMUQXKE-HIFRSBDPSA-N 2 2 274.412 2.519 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCCC#N ZINC000088701807 260234497 /nfs/dbraw/zinc/23/44/97/260234497.db2.gz PJPWQVKUOYWWHD-RDJZCZTQSA-N 2 2 271.408 2.790 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCCC#N ZINC000088701807 260234498 /nfs/dbraw/zinc/23/44/98/260234498.db2.gz PJPWQVKUOYWWHD-RDJZCZTQSA-N 2 2 271.408 2.790 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248915374 261217053 /nfs/dbraw/zinc/21/70/53/261217053.db2.gz ZNPSRPVYZZVWBC-ICSRJNTNSA-N 2 2 294.442 2.987 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248915374 261217054 /nfs/dbraw/zinc/21/70/54/261217054.db2.gz ZNPSRPVYZZVWBC-ICSRJNTNSA-N 2 2 294.442 2.987 20 30 CFEDLP C(#Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248915374 261217057 /nfs/dbraw/zinc/21/70/57/261217057.db2.gz ZNPSRPVYZZVWBC-ICSRJNTNSA-N 2 2 294.442 2.987 20 30 CFEDLP N#CCCC[NH2+][C@H]1C[C@@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000368582514 262091550 /nfs/dbraw/zinc/09/15/50/262091550.db2.gz GHHKRJVUMZJJSS-ROUUACIJSA-N 2 2 283.419 2.933 20 30 CFEDLP N#CCCC[NH2+][C@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000368582514 262091553 /nfs/dbraw/zinc/09/15/53/262091553.db2.gz GHHKRJVUMZJJSS-ROUUACIJSA-N 2 2 283.419 2.933 20 30 CFEDLP C=CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c(C)cn2C1)C1CC1 ZINC000120779800 262240646 /nfs/dbraw/zinc/24/06/46/262240646.db2.gz GSDYWGOERAFAAT-LSDHHAIUSA-N 2 2 259.397 2.841 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000414765390 263040874 /nfs/dbraw/zinc/04/08/74/263040874.db2.gz FUDINDKVCMGUTL-HOCLYGCPSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])c1 ZINC000414765390 263040875 /nfs/dbraw/zinc/04/08/75/263040875.db2.gz FUDINDKVCMGUTL-HOCLYGCPSA-N 2 2 274.408 2.811 20 30 CFEDLP Cc1[nH+]ccn1CCC[N@@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000277922848 263044765 /nfs/dbraw/zinc/04/47/65/263044765.db2.gz YCBRPTTYAXLGFI-AWEZNQCLSA-N 2 2 260.385 2.596 20 30 CFEDLP Cc1[nH+]ccn1CCC[N@H+]1CCCC(C)(C)[C@@H]1C#N ZINC000277922848 263044766 /nfs/dbraw/zinc/04/47/66/263044766.db2.gz YCBRPTTYAXLGFI-AWEZNQCLSA-N 2 2 260.385 2.596 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]CC([NH3+])(CC)CC ZINC000414798787 263050340 /nfs/dbraw/zinc/05/03/40/263050340.db2.gz FUQPVZDIYBOPMV-UHFFFAOYSA-N 2 2 262.397 2.859 20 30 CFEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000356921343 266211519 /nfs/dbraw/zinc/21/15/19/266211519.db2.gz PINBZJDNLHLNAV-MRXNPFEDSA-N 2 2 299.418 2.695 20 30 CFEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000356921343 266211524 /nfs/dbraw/zinc/21/15/24/266211524.db2.gz PINBZJDNLHLNAV-MRXNPFEDSA-N 2 2 299.418 2.695 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000370665463 267336394 /nfs/dbraw/zinc/33/63/94/267336394.db2.gz BTUSJFWFJCFDCE-WBVHZDCISA-N 2 2 298.434 2.575 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000370665463 267336397 /nfs/dbraw/zinc/33/63/97/267336397.db2.gz BTUSJFWFJCFDCE-WBVHZDCISA-N 2 2 298.434 2.575 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000418139649 267361887 /nfs/dbraw/zinc/36/18/87/267361887.db2.gz IBORMSZKASTVHP-UHFFFAOYSA-N 2 2 297.446 2.977 20 30 CFEDLP C=CCOCC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000376843600 268023350 /nfs/dbraw/zinc/02/33/50/268023350.db2.gz GYHGXVLVSBHEML-WBVHZDCISA-N 2 2 274.408 2.614 20 30 CFEDLP C=CCOCC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000376843600 268023351 /nfs/dbraw/zinc/02/33/51/268023351.db2.gz GYHGXVLVSBHEML-WBVHZDCISA-N 2 2 274.408 2.614 20 30 CFEDLP C=CCOCC[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000376846133 268023479 /nfs/dbraw/zinc/02/34/79/268023479.db2.gz QBARCZYQCCPOOT-UHFFFAOYSA-N 2 2 280.437 2.505 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000248530673 276175095 /nfs/dbraw/zinc/17/50/95/276175095.db2.gz NQBSGOPWRUCPJU-CZUORRHYSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000248530673 276175097 /nfs/dbraw/zinc/17/50/97/276175097.db2.gz NQBSGOPWRUCPJU-CZUORRHYSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019959986 276187289 /nfs/dbraw/zinc/18/72/89/276187289.db2.gz NQBSGOPWRUCPJU-BBRMVZONSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019959986 276187291 /nfs/dbraw/zinc/18/72/91/276187291.db2.gz NQBSGOPWRUCPJU-BBRMVZONSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000562603365 290059022 /nfs/dbraw/zinc/05/90/22/290059022.db2.gz HGMPDQQGSOECDB-HZPDHXFCSA-N 2 2 280.375 2.810 20 30 CFEDLP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000564822237 290236018 /nfs/dbraw/zinc/23/60/18/290236018.db2.gz GRUPFEBMNKWSFK-GFCCVEGCSA-N 2 2 263.360 2.736 20 30 CFEDLP CC#CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339660521 328012564 /nfs/dbraw/zinc/01/25/64/328012564.db2.gz XTMGSDPWTJZPCZ-HNNXBMFYSA-N 2 2 267.376 2.832 20 30 CFEDLP CC#CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339660521 328012565 /nfs/dbraw/zinc/01/25/65/328012565.db2.gz XTMGSDPWTJZPCZ-HNNXBMFYSA-N 2 2 267.376 2.832 20 30 CFEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000278533987 328226331 /nfs/dbraw/zinc/22/63/31/328226331.db2.gz FMINOWBFMXNBRL-ILXRZTDVSA-N 2 2 270.380 2.508 20 30 CFEDLP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000278533987 328226333 /nfs/dbraw/zinc/22/63/33/328226333.db2.gz FMINOWBFMXNBRL-ILXRZTDVSA-N 2 2 270.380 2.508 20 30 CFEDLP COCC1(C#N)CC[NH+](CCCc2ccc(C)[nH+]c2)CC1 ZINC000342833946 328421026 /nfs/dbraw/zinc/42/10/26/328421026.db2.gz CTKVNHCSOUGZMJ-UHFFFAOYSA-N 2 2 287.407 2.575 20 30 CFEDLP CC(C)(C#N)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000087595212 326993114 /nfs/dbraw/zinc/99/31/14/326993114.db2.gz BZFJATMIPFRQPE-UHFFFAOYSA-N 2 2 263.429 2.877 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377774222 329028848 /nfs/dbraw/zinc/02/88/48/329028848.db2.gz GPQVBSUSSWHRCC-AWEZNQCLSA-N 2 2 283.375 2.622 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377774222 329028850 /nfs/dbraw/zinc/02/88/50/329028850.db2.gz GPQVBSUSSWHRCC-AWEZNQCLSA-N 2 2 283.375 2.622 20 30 CFEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000378162633 329041986 /nfs/dbraw/zinc/04/19/86/329041986.db2.gz XJIXSTYIBFKASH-HZPDHXFCSA-N 2 2 291.439 2.798 20 30 CFEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000378162633 329041988 /nfs/dbraw/zinc/04/19/88/329041988.db2.gz XJIXSTYIBFKASH-HZPDHXFCSA-N 2 2 291.439 2.798 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000177911864 329190374 /nfs/dbraw/zinc/19/03/74/329190374.db2.gz NCJQFUNKVZFGLZ-CYBMUJFWSA-N 2 2 289.379 2.896 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194031991 329684884 /nfs/dbraw/zinc/68/48/84/329684884.db2.gz PMJNWMODLKWEEJ-BRWVUGGUSA-N 2 2 290.451 2.574 20 30 CFEDLP N#CC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000572381112 330027783 /nfs/dbraw/zinc/02/77/83/330027783.db2.gz ZLCDOEKITXSCHD-UHFFFAOYSA-N 2 2 272.377 2.717 20 30 CFEDLP C=CCC[C@H](CC)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423224819 330180042 /nfs/dbraw/zinc/18/00/42/330180042.db2.gz CTWRYVOWDFNQGP-AWEZNQCLSA-N 2 2 274.412 2.648 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000423415634 330197620 /nfs/dbraw/zinc/19/76/20/330197620.db2.gz DYSNKXBGYJEIJV-UKPHBRMFSA-N 2 2 269.392 2.545 20 30 CFEDLP C=CCC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000119960150 330381907 /nfs/dbraw/zinc/38/19/07/330381907.db2.gz WNPAMSWSGCMLIH-INMHGKMJSA-N 2 2 280.456 2.820 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449213240 330906720 /nfs/dbraw/zinc/90/67/20/330906720.db2.gz UZEZYLZQJFZTNB-UHFFFAOYSA-N 2 2 257.381 2.995 20 30 CFEDLP C=CCOCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452117864 331054789 /nfs/dbraw/zinc/05/47/89/331054789.db2.gz OMCTZGLTYMYWQU-UHFFFAOYSA-N 2 2 294.361 2.538 20 30 CFEDLP C=CCOCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452117864 331054790 /nfs/dbraw/zinc/05/47/90/331054790.db2.gz OMCTZGLTYMYWQU-UHFFFAOYSA-N 2 2 294.361 2.538 20 30 CFEDLP CC#CCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000166301530 331307063 /nfs/dbraw/zinc/30/70/63/331307063.db2.gz UBXYDKFNVRWVQG-UHFFFAOYSA-N 2 2 253.349 2.684 20 30 CFEDLP C#C[C@H](C)[N@H+](C)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000491494262 332222007 /nfs/dbraw/zinc/22/20/07/332222007.db2.gz BRCUPOGZMDLWRI-ZDUSSCGKSA-N 2 2 253.349 2.634 20 30 CFEDLP C#C[C@H](C)[N@@H+](C)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000491494262 332222009 /nfs/dbraw/zinc/22/20/09/332222009.db2.gz BRCUPOGZMDLWRI-ZDUSSCGKSA-N 2 2 253.349 2.634 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000493874005 332457218 /nfs/dbraw/zinc/45/72/18/332457218.db2.gz NXXOCJWUCCNBNH-QGZVFWFLSA-N 2 2 286.419 2.620 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173398221 332970800 /nfs/dbraw/zinc/97/08/00/332970800.db2.gz KBEUOXKITNJQFX-CYBMUJFWSA-N 2 2 289.379 2.896 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(CC)o2)CC1 ZINC000133109486 334017145 /nfs/dbraw/zinc/01/71/45/334017145.db2.gz VDODICMRRBCHMB-UHFFFAOYSA-N 2 2 262.397 2.972 20 30 CFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000248623217 334309577 /nfs/dbraw/zinc/30/95/77/334309577.db2.gz NLJIJPRTZKCZPZ-FMKPAKJESA-N 2 2 263.429 2.779 20 30 CFEDLP C[N@@H+]1CCC[C@H](C[NH2+]CCC#N)[C@H]1c1cccs1 ZINC000577216851 335324487 /nfs/dbraw/zinc/32/44/87/335324487.db2.gz VSOHZZFHPURNHJ-OCCSQVGLSA-N 2 2 263.410 2.634 20 30 CFEDLP C[N@H+]1CCC[C@H](C[NH2+]CCC#N)[C@H]1c1cccs1 ZINC000577216851 335324489 /nfs/dbraw/zinc/32/44/89/335324489.db2.gz VSOHZZFHPURNHJ-OCCSQVGLSA-N 2 2 263.410 2.634 20 30 CFEDLP COc1ccc(C#N)cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360701151 523521440 /nfs/dbraw/zinc/52/14/40/523521440.db2.gz VPHNFQJSHCBAIX-UHFFFAOYSA-N 2 2 296.374 2.670 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)CC[C@@H]21 ZINC000192075706 523835035 /nfs/dbraw/zinc/83/50/35/523835035.db2.gz ZEBLKERRCLHFJI-WBVHZDCISA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)CC[C@@H]21 ZINC000192075706 523835040 /nfs/dbraw/zinc/83/50/40/523835040.db2.gz ZEBLKERRCLHFJI-WBVHZDCISA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)CC[C@@H]21 ZINC000192075706 523835042 /nfs/dbraw/zinc/83/50/42/523835042.db2.gz ZEBLKERRCLHFJI-WBVHZDCISA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)CC[C@@H]21 ZINC000192075706 523835044 /nfs/dbraw/zinc/83/50/44/523835044.db2.gz ZEBLKERRCLHFJI-WBVHZDCISA-N 2 2 287.382 2.613 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000192119301 524509213 /nfs/dbraw/zinc/50/92/13/524509213.db2.gz YDZKTOAMDDDMQG-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000192119301 524509220 /nfs/dbraw/zinc/50/92/20/524509220.db2.gz YDZKTOAMDDDMQG-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352719455 526451376 /nfs/dbraw/zinc/45/13/76/526451376.db2.gz KLXOOSMBYQGVCP-UHFFFAOYSA-N 2 2 266.429 2.573 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000361834672 526616945 /nfs/dbraw/zinc/61/69/45/526616945.db2.gz WGZDPXPYIDNUQH-MRXNPFEDSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000361834672 526616947 /nfs/dbraw/zinc/61/69/47/526616947.db2.gz WGZDPXPYIDNUQH-MRXNPFEDSA-N 2 2 297.333 2.746 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](CCC)[C@@H]2CC[NH2+]C2)c1 ZINC000347205601 526898593 /nfs/dbraw/zinc/89/85/93/526898593.db2.gz LZGHTTQRZZVEEL-MRXNPFEDSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1cccc(C[N@H+](CCC)[C@@H]2CC[NH2+]C2)c1 ZINC000347205601 526898601 /nfs/dbraw/zinc/89/86/01/526898601.db2.gz LZGHTTQRZZVEEL-MRXNPFEDSA-N 2 2 274.408 2.825 20 30 CFEDLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423302900 528820669 /nfs/dbraw/zinc/82/06/69/528820669.db2.gz WGFMFQUFJCXJPC-AAEUAGOBSA-N 2 2 263.360 2.865 20 30 CFEDLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423300212 528957502 /nfs/dbraw/zinc/95/75/02/528957502.db2.gz RFJZXSBYFSLPLX-BXUZGUMPSA-N 2 2 263.360 2.865 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000090408635 545501361 /nfs/dbraw/zinc/50/13/61/545501361.db2.gz HYKTVXADFTVBHD-NSHDSACASA-N 2 2 265.426 2.753 20 30 CFEDLP Cc1ccccc1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747838697 574215266 /nfs/dbraw/zinc/21/52/66/574215266.db2.gz IACLCZZADPERLU-UHFFFAOYSA-N 2 2 297.402 2.894 20 30 CFEDLP CCc1cccc(NC(=[NH2+])NCCCNc2cccc[nH+]2)c1 ZINC000170905273 618729008 /nfs/dbraw/zinc/72/90/08/618729008.db2.gz XGNPPVWQDQUCKK-UHFFFAOYSA-N 2 2 297.406 2.873 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000892881447 618762544 /nfs/dbraw/zinc/76/25/44/618762544.db2.gz WMWBKDXUBUJEKH-UHFFFAOYSA-N 2 2 268.404 2.668 20 30 CFEDLP CCC[N@H+](CCC[NH+](C)C)Cc1csc(C#N)c1 ZINC000894480834 619398001 /nfs/dbraw/zinc/39/80/01/619398001.db2.gz LQCHVBZPJLWHDS-UHFFFAOYSA-N 2 2 265.426 2.783 20 30 CFEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1csc(C#N)c1 ZINC000894480834 619398004 /nfs/dbraw/zinc/39/80/04/619398004.db2.gz LQCHVBZPJLWHDS-UHFFFAOYSA-N 2 2 265.426 2.783 20 30 CFEDLP COc1cccc(/C=[NH+]/CCCC[N@H+](C)C2CC2)c1O ZINC000840708633 619881775 /nfs/dbraw/zinc/88/17/75/619881775.db2.gz CMCSZYPEMQLTCN-SFQUDFHCSA-N 2 2 276.380 2.694 20 30 CFEDLP COc1cccc(/C=[NH+]/CCCC[N@@H+](C)C2CC2)c1O ZINC000840708633 619881779 /nfs/dbraw/zinc/88/17/79/619881779.db2.gz CMCSZYPEMQLTCN-SFQUDFHCSA-N 2 2 276.380 2.694 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925173213 620005133 /nfs/dbraw/zinc/00/51/33/620005133.db2.gz XKABAQZVFQFOIO-STQMWFEESA-N 2 2 260.385 2.678 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841759259 620254294 /nfs/dbraw/zinc/25/42/94/620254294.db2.gz XTUDSGKGADDGRC-LBPRGKRZSA-N 2 2 280.799 2.651 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841759259 620254295 /nfs/dbraw/zinc/25/42/95/620254295.db2.gz XTUDSGKGADDGRC-LBPRGKRZSA-N 2 2 280.799 2.651 20 30 CFEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000898316257 620372040 /nfs/dbraw/zinc/37/20/40/620372040.db2.gz NASVCNGCKHEXHE-ILXRZTDVSA-N 2 2 251.418 2.635 20 30 CFEDLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000926966793 620434332 /nfs/dbraw/zinc/43/43/32/620434332.db2.gz YEICZWYMZJOXTJ-MSOLQXFVSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000926966793 620434335 /nfs/dbraw/zinc/43/43/35/620434335.db2.gz YEICZWYMZJOXTJ-MSOLQXFVSA-N 2 2 283.419 2.973 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000924670897 620437726 /nfs/dbraw/zinc/43/77/26/620437726.db2.gz DZAOVNJPLHMHOY-KBPBESRZSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000924670897 620437729 /nfs/dbraw/zinc/43/77/29/620437729.db2.gz DZAOVNJPLHMHOY-KBPBESRZSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000902438303 621080130 /nfs/dbraw/zinc/08/01/30/621080130.db2.gz MFCDLVZXAHHVFX-NXOUGTEYSA-N 2 2 277.371 2.834 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cccc(C#N)c1 ZINC000902484546 621110988 /nfs/dbraw/zinc/11/09/88/621110988.db2.gz WGZGGDNYTKWCGL-CJNGLKHVSA-N 2 2 257.381 2.741 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cccc(C#N)c1 ZINC000902484547 621111086 /nfs/dbraw/zinc/11/10/86/621111086.db2.gz WGZGGDNYTKWCGL-CZUORRHYSA-N 2 2 257.381 2.741 20 30 CFEDLP C#CC[N@H+](Cc1cc(C)cc(C)c1O)C1CC[NH+](C)CC1 ZINC000902538768 621113498 /nfs/dbraw/zinc/11/34/98/621113498.db2.gz VMWPHRBCFIKKNN-UHFFFAOYSA-N 2 2 286.419 2.538 20 30 CFEDLP C#CC[N@@H+](Cc1cc(C)cc(C)c1O)C1CC[NH+](C)CC1 ZINC000902538768 621113502 /nfs/dbraw/zinc/11/35/02/621113502.db2.gz VMWPHRBCFIKKNN-UHFFFAOYSA-N 2 2 286.419 2.538 20 30 CFEDLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000902720469 621156613 /nfs/dbraw/zinc/15/66/13/621156613.db2.gz KNCVLLXYVIBEIL-INIZCTEOSA-N 2 2 268.364 2.886 20 30 CFEDLP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cc(C#N)ccn1 ZINC000902728233 621159479 /nfs/dbraw/zinc/15/94/79/621159479.db2.gz OCWZGSLZGCIONR-OAHLLOKOSA-N 2 2 286.423 2.726 20 30 CFEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cc(C#N)ccn1 ZINC000902756045 621165855 /nfs/dbraw/zinc/16/58/55/621165855.db2.gz AVLGFQANGDWOSM-LSDHHAIUSA-N 2 2 286.423 2.726 20 30 CFEDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc(C#N)ccn1 ZINC000902777126 621171349 /nfs/dbraw/zinc/17/13/49/621171349.db2.gz RPVNAYNADSAHSM-ZDUSSCGKSA-N 2 2 284.407 2.621 20 30 CFEDLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902779138 621171793 /nfs/dbraw/zinc/17/17/93/621171793.db2.gz OGWYEHQDZDEKGB-CQSZACIVSA-N 2 2 286.423 2.868 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@]1(C)CCCCO1 ZINC000902793927 621178172 /nfs/dbraw/zinc/17/81/72/621178172.db2.gz OWLSZLZMQRBLTM-JYJNAYRXSA-N 2 2 268.445 2.820 20 30 CFEDLP C#CCSCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902871498 621193447 /nfs/dbraw/zinc/19/34/47/621193447.db2.gz PHADENXBUKNWPO-AWEZNQCLSA-N 2 2 285.416 2.889 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902894171 621201148 /nfs/dbraw/zinc/20/11/48/621201148.db2.gz JHLPXLVLRINTNU-GJZGRUSLSA-N 2 2 285.391 2.708 20 30 CFEDLP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cc(C#N)ccn1 ZINC000902971438 621221056 /nfs/dbraw/zinc/22/10/56/621221056.db2.gz UETIBYSNMRXKTE-AWEZNQCLSA-N 2 2 286.423 2.726 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000903091970 621257539 /nfs/dbraw/zinc/25/75/39/621257539.db2.gz DXGWDFQRFCBNLR-JKSUJKDBSA-N 2 2 296.842 2.859 20 30 CFEDLP C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903092695 621257661 /nfs/dbraw/zinc/25/76/61/621257661.db2.gz DMRJRJPYPFZBGP-ZBFHGGJFSA-N 2 2 285.391 2.850 20 30 CFEDLP N#CC1CCC(C[N@@H+]2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000903460794 621381110 /nfs/dbraw/zinc/38/11/10/621381110.db2.gz IGHROQJENURVJX-JTTJXQCZSA-N 2 2 283.419 2.874 20 30 CFEDLP N#CC1CCC(C[N@H+]2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000903460794 621381111 /nfs/dbraw/zinc/38/11/11/621381111.db2.gz IGHROQJENURVJX-JTTJXQCZSA-N 2 2 283.419 2.874 20 30 CFEDLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1C#N ZINC000903481551 621391618 /nfs/dbraw/zinc/39/16/18/621391618.db2.gz FXMNIJCSBDWMBJ-INIZCTEOSA-N 2 2 269.392 2.631 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000921472260 624901884 /nfs/dbraw/zinc/90/18/84/624901884.db2.gz ACXHAEHLECCXIK-UHFFFAOYSA-N 2 2 268.364 2.552 20 30 CFEDLP C#CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000796632587 629943168 /nfs/dbraw/zinc/94/31/68/629943168.db2.gz MSCKWXKPPDFXLC-QGZVFWFLSA-N 2 2 256.393 2.606 20 30 CFEDLP C#CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000796632587 629943170 /nfs/dbraw/zinc/94/31/70/629943170.db2.gz MSCKWXKPPDFXLC-QGZVFWFLSA-N 2 2 256.393 2.606 20 30 CFEDLP C#CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000796632587 629943172 /nfs/dbraw/zinc/94/31/72/629943172.db2.gz MSCKWXKPPDFXLC-QGZVFWFLSA-N 2 2 256.393 2.606 20 30 CFEDLP C#CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000796632587 629943173 /nfs/dbraw/zinc/94/31/73/629943173.db2.gz MSCKWXKPPDFXLC-QGZVFWFLSA-N 2 2 256.393 2.606 20 30 CFEDLP C=CCCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000842037259 631509035 /nfs/dbraw/zinc/50/90/35/631509035.db2.gz VBFRYLABBKVOGO-UHFFFAOYSA-N 2 2 275.396 2.741 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000818338704 632832433 /nfs/dbraw/zinc/83/24/33/632832433.db2.gz AEXJRUOPVAVOSK-CYBMUJFWSA-N 2 2 294.826 2.954 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)cc1Cl ZINC000818338704 632832437 /nfs/dbraw/zinc/83/24/37/632832437.db2.gz AEXJRUOPVAVOSK-CYBMUJFWSA-N 2 2 294.826 2.954 20 30 CFEDLP C#CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000848536526 633281827 /nfs/dbraw/zinc/28/18/27/633281827.db2.gz QUOBKNRYIZRMBG-RBUKOAKNSA-N 2 2 298.430 2.594 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000850553714 634051027 /nfs/dbraw/zinc/05/10/27/634051027.db2.gz BHRMGOGVGYPYNE-WBVHZDCISA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CCC)C2)cc1 ZINC000850553714 634051035 /nfs/dbraw/zinc/05/10/35/634051035.db2.gz BHRMGOGVGYPYNE-WBVHZDCISA-N 2 2 286.419 2.834 20 30 CFEDLP CC(=[NH+]Nc1cc[nH+]c(C)c1)c1ccc(F)cc1N(C)C ZINC000863159342 637574010 /nfs/dbraw/zinc/57/40/10/637574010.db2.gz MQPGFOUXWZEXFM-UHFFFAOYSA-N 2 2 286.354 2.853 20 30 CFEDLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866259009 638782062 /nfs/dbraw/zinc/78/20/62/638782062.db2.gz FGYBJLNVFYPVSI-OLZOCXBDSA-N 2 2 298.390 2.756 20 30 CFEDLP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000866378014 638809455 /nfs/dbraw/zinc/80/94/55/638809455.db2.gz LNKMOYADZNAZPF-GRTSSRMGSA-N 2 2 287.407 2.787 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872032966 641563644 /nfs/dbraw/zinc/56/36/44/641563644.db2.gz DEEZEXRPVUHQBG-CVEARBPZSA-N 2 2 280.456 2.820 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc(C#N)cc1 ZINC000873236707 642088190 /nfs/dbraw/zinc/08/81/90/642088190.db2.gz IWPCGVOUXDDFAC-BBRMVZONSA-N 2 2 271.408 2.987 20 30 CFEDLP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[NH+]1CCCCC1 ZINC000876956000 643079028 /nfs/dbraw/zinc/07/90/28/643079028.db2.gz DLDSXGCWCVSORL-JKSUJKDBSA-N 2 2 293.455 2.549 20 30 CFEDLP C#CCCCCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000877620803 643405866 /nfs/dbraw/zinc/40/58/66/643405866.db2.gz JKNPJXZZUWUIBH-GOSISDBHSA-N 2 2 292.467 2.757 20 30 CFEDLP C#CCCCCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000877620803 643405872 /nfs/dbraw/zinc/40/58/72/643405872.db2.gz JKNPJXZZUWUIBH-GOSISDBHSA-N 2 2 292.467 2.757 20 30 CFEDLP CCC1([NH+]2CCCCC2)CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000880255760 644614702 /nfs/dbraw/zinc/61/47/02/644614702.db2.gz XOSYUFQPFAAOAP-INIZCTEOSA-N 2 2 293.455 2.646 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000883131223 645617866 /nfs/dbraw/zinc/61/78/66/645617866.db2.gz PQJZLCKDIQZELZ-UHFFFAOYSA-N 2 2 291.782 2.526 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000883131223 645617870 /nfs/dbraw/zinc/61/78/70/645617870.db2.gz PQJZLCKDIQZELZ-UHFFFAOYSA-N 2 2 291.782 2.526 20 30 CFEDLP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CCCO1 ZINC000883217855 645671051 /nfs/dbraw/zinc/67/10/51/645671051.db2.gz OZSJMIJVZUXFHQ-HUUCEWRRSA-N 2 2 266.429 2.574 20 30 CFEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCCCC1 ZINC000135159448 646481219 /nfs/dbraw/zinc/48/12/19/646481219.db2.gz YFHQFMQINWUMLE-AWEZNQCLSA-N 2 2 251.418 2.780 20 30 CFEDLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)c1cccc(C#N)c1O ZINC000926473735 648500997 /nfs/dbraw/zinc/50/09/97/648500997.db2.gz NISTZGHYCRKQMP-IUODEOHRSA-N 2 2 275.396 2.502 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC000929259344 649017263 /nfs/dbraw/zinc/01/72/63/649017263.db2.gz CMVIGOSVVOMICP-UHFFFAOYSA-N 2 2 271.408 2.701 20 30 CFEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000932396695 649593010 /nfs/dbraw/zinc/59/30/10/649593010.db2.gz TYQKJPJOXQTTGL-UHFFFAOYSA-N 2 2 253.349 2.716 20 30 CFEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000932396695 649593013 /nfs/dbraw/zinc/59/30/13/649593013.db2.gz TYQKJPJOXQTTGL-UHFFFAOYSA-N 2 2 253.349 2.716 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000328057167 775702254 /nfs/dbraw/zinc/70/22/54/775702254.db2.gz ASEVSHXYFOZYKF-UHFFFAOYSA-N 2 2 268.763 2.524 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000328057167 775702259 /nfs/dbraw/zinc/70/22/59/775702259.db2.gz ASEVSHXYFOZYKF-UHFFFAOYSA-N 2 2 268.763 2.524 20 30 CFEDLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@H]1C#N ZINC001167833531 776570188 /nfs/dbraw/zinc/57/01/88/776570188.db2.gz CAXFNVGLDVOZTM-GJZGRUSLSA-N 2 2 251.418 2.875 20 30 CFEDLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@H]1C#N ZINC001167833531 776570193 /nfs/dbraw/zinc/57/01/93/776570193.db2.gz CAXFNVGLDVOZTM-GJZGRUSLSA-N 2 2 251.418 2.875 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)o1 ZINC001167973111 777439928 /nfs/dbraw/zinc/43/99/28/777439928.db2.gz GWJPXFNEBFRVFK-GOOCMWNKSA-N 2 2 285.391 2.646 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)o1 ZINC001167973111 777439934 /nfs/dbraw/zinc/43/99/34/777439934.db2.gz GWJPXFNEBFRVFK-GOOCMWNKSA-N 2 2 285.391 2.646 20 30 CFEDLP C=CC[NH2+]CC[NH+]1CCC2(CCc3ccccc32)CC1 ZINC001235150933 778397872 /nfs/dbraw/zinc/39/78/72/778397872.db2.gz BIQILQJDGMFDTL-UHFFFAOYSA-N 2 2 270.420 2.742 20 30 CFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC1 ZINC001235210340 778417048 /nfs/dbraw/zinc/41/70/48/778417048.db2.gz YEAIYTNHTOEXRX-ZACQAIPSSA-N 2 2 260.425 2.973 20 30 CFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CC1 ZINC001235210340 778417050 /nfs/dbraw/zinc/41/70/50/778417050.db2.gz YEAIYTNHTOEXRX-ZACQAIPSSA-N 2 2 260.425 2.973 20 30 CFEDLP CCCCCCC[N@H+](CC)CC1=CS[C@H]([NH3+])N1 ZINC001235663449 778530813 /nfs/dbraw/zinc/53/08/13/778530813.db2.gz VXLMUOLDDBMFMU-CYBMUJFWSA-N 2 2 257.447 2.699 20 30 CFEDLP CCCCCCC[N@@H+](CC)CC1=CS[C@H]([NH3+])N1 ZINC001235663449 778530815 /nfs/dbraw/zinc/53/08/15/778530815.db2.gz VXLMUOLDDBMFMU-CYBMUJFWSA-N 2 2 257.447 2.699 20 30 CFEDLP CCCCCCC[N@H+](CC)CC1=CS[C@@H]([NH3+])N1 ZINC001235663556 778530711 /nfs/dbraw/zinc/53/07/11/778530711.db2.gz VXLMUOLDDBMFMU-ZDUSSCGKSA-N 2 2 257.447 2.699 20 30 CFEDLP CCCCCCC[N@@H+](CC)CC1=CS[C@@H]([NH3+])N1 ZINC001235663556 778530712 /nfs/dbraw/zinc/53/07/12/778530712.db2.gz VXLMUOLDDBMFMU-ZDUSSCGKSA-N 2 2 257.447 2.699 20 30 CFEDLP C=C(C)COc1ccccc1C[N@@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095815 778691138 /nfs/dbraw/zinc/69/11/38/778691138.db2.gz ZKGAPTGVDHEOPS-HNNXBMFYSA-N 2 2 274.408 2.825 20 30 CFEDLP C=C(C)COc1ccccc1C[N@H+]1CCC[NH2+][C@@H](C)C1 ZINC001236095815 778691143 /nfs/dbraw/zinc/69/11/43/778691143.db2.gz ZKGAPTGVDHEOPS-HNNXBMFYSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236206235 778734628 /nfs/dbraw/zinc/73/46/28/778734628.db2.gz JHWZOBJOUZVMDI-QGZVFWFLSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1cccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236206235 778734633 /nfs/dbraw/zinc/73/46/33/778734633.db2.gz JHWZOBJOUZVMDI-QGZVFWFLSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCCCCCCC[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236333204 778784396 /nfs/dbraw/zinc/78/43/96/778784396.db2.gz JNSQQZZUVUNZIL-INIZCTEOSA-N 2 2 268.445 2.823 20 30 CFEDLP C=CCCCCCCC[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236333204 778784402 /nfs/dbraw/zinc/78/44/02/778784402.db2.gz JNSQQZZUVUNZIL-INIZCTEOSA-N 2 2 268.445 2.823 20 30 CFEDLP C#CCCC[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236395871 778802182 /nfs/dbraw/zinc/80/21/82/778802182.db2.gz UQBUVHLUDQGTGN-QGZVFWFLSA-N 2 2 274.383 2.793 20 30 CFEDLP C#CCCC[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236395871 778802190 /nfs/dbraw/zinc/80/21/90/778802190.db2.gz UQBUVHLUDQGTGN-QGZVFWFLSA-N 2 2 274.383 2.793 20 30 CFEDLP CCCCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236424020 778819208 /nfs/dbraw/zinc/81/92/08/778819208.db2.gz QDOKYSUDGSYDNC-LSDHHAIUSA-N 2 2 256.434 2.521 20 30 CFEDLP CCCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236424020 778819204 /nfs/dbraw/zinc/81/92/04/778819204.db2.gz QDOKYSUDGSYDNC-LSDHHAIUSA-N 2 2 256.434 2.521 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921702261 780182390 /nfs/dbraw/zinc/18/23/90/780182390.db2.gz IRVVMWNTSQFRHM-UHFFFAOYSA-N 2 2 288.439 2.738 20 30 CFEDLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709975076 781324166 /nfs/dbraw/zinc/32/41/66/781324166.db2.gz HMIRLEUAVRSRLV-KBPBESRZSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000822658688 781906632 /nfs/dbraw/zinc/90/66/32/781906632.db2.gz QGOSUIWHDLKOIV-CXAGYDPISA-N 2 2 299.418 2.789 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000822658688 781906637 /nfs/dbraw/zinc/90/66/37/781906637.db2.gz QGOSUIWHDLKOIV-CXAGYDPISA-N 2 2 299.418 2.789 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000594522109 349441050 /nfs/dbraw/zinc/44/10/50/349441050.db2.gz HSEUEVTXNHFHLQ-SJORKVTESA-N 2 2 287.382 2.804 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000594522109 349441053 /nfs/dbraw/zinc/44/10/53/349441053.db2.gz HSEUEVTXNHFHLQ-SJORKVTESA-N 2 2 287.382 2.804 20 30 CFEDLP N#Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1Cl ZINC000594940991 349520637 /nfs/dbraw/zinc/52/06/37/349520637.db2.gz OYITUUAUEHCBOY-UHFFFAOYSA-N 2 2 286.766 2.644 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000594956514 349527918 /nfs/dbraw/zinc/52/79/18/349527918.db2.gz KVKOCMHMPSDTGC-CYBMUJFWSA-N 2 2 251.418 2.779 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000594956514 349527921 /nfs/dbraw/zinc/52/79/21/349527921.db2.gz KVKOCMHMPSDTGC-CYBMUJFWSA-N 2 2 251.418 2.779 20 30 CFEDLP C=CCCSCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000594960886 349530623 /nfs/dbraw/zinc/53/06/23/349530623.db2.gz ZLDURKRXMOSCQY-STQMWFEESA-N 2 2 254.443 2.511 20 30 CFEDLP C=CCCSCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000594960886 349530626 /nfs/dbraw/zinc/53/06/26/349530626.db2.gz ZLDURKRXMOSCQY-STQMWFEESA-N 2 2 254.443 2.511 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081503 349576245 /nfs/dbraw/zinc/57/62/45/349576245.db2.gz RMSCCUNEXKSWPJ-QLFBSQMISA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081503 349576247 /nfs/dbraw/zinc/57/62/47/349576247.db2.gz RMSCCUNEXKSWPJ-QLFBSQMISA-N 2 2 261.413 2.675 20 30 CFEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595505029 349644236 /nfs/dbraw/zinc/64/42/36/349644236.db2.gz PNXLQPSSOOZKDP-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595505029 349644238 /nfs/dbraw/zinc/64/42/38/349644238.db2.gz PNXLQPSSOOZKDP-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595505029 349644242 /nfs/dbraw/zinc/64/42/42/349644242.db2.gz PNXLQPSSOOZKDP-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595505029 349644243 /nfs/dbraw/zinc/64/42/43/349644243.db2.gz PNXLQPSSOOZKDP-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000595892432 349763608 /nfs/dbraw/zinc/76/36/08/349763608.db2.gz QXSGDACPIUEAMU-QMTHXVAHSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000595892432 349763611 /nfs/dbraw/zinc/76/36/11/349763611.db2.gz QXSGDACPIUEAMU-QMTHXVAHSA-N 2 2 297.324 2.746 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842539 349753043 /nfs/dbraw/zinc/75/30/43/349753043.db2.gz FKPWQDOYFQFQDK-QGZVFWFLSA-N 2 2 280.375 2.916 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595842539 349753046 /nfs/dbraw/zinc/75/30/46/349753046.db2.gz FKPWQDOYFQFQDK-QGZVFWFLSA-N 2 2 280.375 2.916 20 30 CFEDLP CCC[N@H+](Cc1ccccc1C#N)C1CC[NH2+]CC1 ZINC000037538865 346330422 /nfs/dbraw/zinc/33/04/22/346330422.db2.gz SSDQNUFJOAHAPB-UHFFFAOYSA-N 2 2 257.381 2.522 20 30 CFEDLP CCC[N@@H+](Cc1ccccc1C#N)C1CC[NH2+]CC1 ZINC000037538865 346330426 /nfs/dbraw/zinc/33/04/26/346330426.db2.gz SSDQNUFJOAHAPB-UHFFFAOYSA-N 2 2 257.381 2.522 20 30 CFEDLP [NH2+]=C(NCCc1[nH]c2ccccc2[nH+]1)NC1CCCCCC1 ZINC000092276931 347615723 /nfs/dbraw/zinc/61/57/23/347615723.db2.gz RPYRSAFJUDWAOQ-UHFFFAOYSA-N 2 2 299.422 2.733 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092746979 347643968 /nfs/dbraw/zinc/64/39/68/347643968.db2.gz KRBJPADTIBVOKM-LBPRGKRZSA-N 2 2 263.360 2.522 20 30 CFEDLP CC#CCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185102923 348128307 /nfs/dbraw/zinc/12/83/07/348128307.db2.gz ACHRNHUIJANXHV-UHFFFAOYSA-N 2 2 270.420 2.996 20 30 CFEDLP CC#CCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000185102923 348128311 /nfs/dbraw/zinc/12/83/11/348128311.db2.gz ACHRNHUIJANXHV-UHFFFAOYSA-N 2 2 270.420 2.996 20 30 CFEDLP C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248546791 348274305 /nfs/dbraw/zinc/27/43/05/348274305.db2.gz DZESIXAWNHOUCB-XHSDSOJGSA-N 2 2 288.439 2.673 20 30 CFEDLP C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248546791 348274307 /nfs/dbraw/zinc/27/43/07/348274307.db2.gz DZESIXAWNHOUCB-XHSDSOJGSA-N 2 2 288.439 2.673 20 30 CFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000590648789 348921286 /nfs/dbraw/zinc/92/12/86/348921286.db2.gz DSJJAHHNRXTCFS-CVEARBPZSA-N 2 2 285.435 2.831 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591578095 349031633 /nfs/dbraw/zinc/03/16/33/349031633.db2.gz YGSYCYOBNFDZBT-DOTOQJQBSA-N 2 2 269.392 2.667 20 30 CFEDLP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000593644386 349302957 /nfs/dbraw/zinc/30/29/57/349302957.db2.gz DABBIAVQRHVADL-UHFFFAOYSA-N 2 2 277.387 2.765 20 30 CFEDLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000593644386 349302960 /nfs/dbraw/zinc/30/29/60/349302960.db2.gz DABBIAVQRHVADL-UHFFFAOYSA-N 2 2 277.387 2.765 20 30 CFEDLP C[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593702292 349313325 /nfs/dbraw/zinc/31/33/25/349313325.db2.gz LBOVKESWLTZDSK-WMLDXEAASA-N 2 2 283.419 2.768 20 30 CFEDLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593722641 349314665 /nfs/dbraw/zinc/31/46/65/349314665.db2.gz YAHOSOGPPHVFOK-AWEZNQCLSA-N 2 2 271.408 2.911 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000600725946 350602046 /nfs/dbraw/zinc/60/20/46/350602046.db2.gz KVVZZDBDROSKCQ-KGLIPLIRSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000600725946 350602048 /nfs/dbraw/zinc/60/20/48/350602048.db2.gz KVVZZDBDROSKCQ-KGLIPLIRSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600721889 350601429 /nfs/dbraw/zinc/60/14/29/350601429.db2.gz NEYZFMNLTZTKKN-KBPBESRZSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600721889 350601431 /nfs/dbraw/zinc/60/14/31/350601431.db2.gz NEYZFMNLTZTKKN-KBPBESRZSA-N 2 2 297.324 2.517 20 30 CFEDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602016295 350832428 /nfs/dbraw/zinc/83/24/28/350832428.db2.gz BMAAKEMZQGUBEA-CYBMUJFWSA-N 2 2 275.371 2.519 20 30 CFEDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602016295 350832430 /nfs/dbraw/zinc/83/24/30/350832430.db2.gz BMAAKEMZQGUBEA-CYBMUJFWSA-N 2 2 275.371 2.519 20 30 CFEDLP C[NH+](C)[C@@H](C[NH2+]C1CCC(C#N)CC1)Cc1ccccc1 ZINC000602503334 350907102 /nfs/dbraw/zinc/90/71/02/350907102.db2.gz MLTXYUCAELNWJN-DAWZGUTISA-N 2 2 285.435 2.831 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000602515248 350911599 /nfs/dbraw/zinc/91/15/99/350911599.db2.gz PCRPBWYHJZKMKY-CVEARBPZSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000602515248 350911602 /nfs/dbraw/zinc/91/16/02/350911602.db2.gz PCRPBWYHJZKMKY-CVEARBPZSA-N 2 2 293.455 2.549 20 30 CFEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)n1 ZINC000602529761 350915725 /nfs/dbraw/zinc/91/57/25/350915725.db2.gz CQEYZDXDRVJLNS-UHFFFAOYSA-N 2 2 298.434 2.697 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@H](C)CC#N ZINC000602869756 351053296 /nfs/dbraw/zinc/05/32/96/351053296.db2.gz IDTBKLRKTNXOFS-CYBMUJFWSA-N 2 2 254.337 2.573 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000609258033 351494110 /nfs/dbraw/zinc/49/41/10/351494110.db2.gz JBPFOWBWJVGEBZ-OAHLLOKOSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000609258033 351494113 /nfs/dbraw/zinc/49/41/13/351494113.db2.gz JBPFOWBWJVGEBZ-OAHLLOKOSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609157374 351489548 /nfs/dbraw/zinc/48/95/48/351489548.db2.gz GTBVBZRQBSDCKJ-INIZCTEOSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609157374 351489551 /nfs/dbraw/zinc/48/95/51/351489551.db2.gz GTBVBZRQBSDCKJ-INIZCTEOSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609157390 351489593 /nfs/dbraw/zinc/48/95/93/351489593.db2.gz IBSSGYCFZORIOE-INIZCTEOSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609157390 351489596 /nfs/dbraw/zinc/48/95/96/351489596.db2.gz IBSSGYCFZORIOE-INIZCTEOSA-N 2 2 266.348 2.592 20 30 CFEDLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390777 351679177 /nfs/dbraw/zinc/67/91/77/351679177.db2.gz DAARUHUZOKYQMT-NVXWUHKLSA-N 2 2 269.392 2.619 20 30 CFEDLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390777 351679182 /nfs/dbraw/zinc/67/91/82/351679182.db2.gz DAARUHUZOKYQMT-NVXWUHKLSA-N 2 2 269.392 2.619 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000616752135 352427084 /nfs/dbraw/zinc/42/70/84/352427084.db2.gz DRLXBAAWRSFCKV-HNNXBMFYSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1F ZINC000616752135 352427086 /nfs/dbraw/zinc/42/70/86/352427086.db2.gz DRLXBAAWRSFCKV-HNNXBMFYSA-N 2 2 284.338 2.731 20 30 CFEDLP Cn1cc[nH+]c1C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000619672832 353047815 /nfs/dbraw/zinc/04/78/15/353047815.db2.gz KNKRGGXMRFPORY-UAGQMJEPSA-N 2 2 294.402 2.986 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cnn(C)c2)CC1 ZINC000152940279 188054376 /nfs/dbraw/zinc/05/43/76/188054376.db2.gz KQZVZXYUJKNKDT-MRXNPFEDSA-N 2 2 276.428 2.501 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629668059 354884079 /nfs/dbraw/zinc/88/40/79/354884079.db2.gz XQOUDGDIIDUEAH-HDICACEKSA-N 2 2 286.419 2.683 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629668059 354884082 /nfs/dbraw/zinc/88/40/82/354884082.db2.gz XQOUDGDIIDUEAH-HDICACEKSA-N 2 2 286.419 2.683 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000271124976 283140213 /nfs/dbraw/zinc/14/02/13/283140213.db2.gz MGFKXWKDQJHOHA-LLVKDONJSA-N 2 2 272.377 2.722 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000271124976 283140215 /nfs/dbraw/zinc/14/02/15/283140215.db2.gz MGFKXWKDQJHOHA-LLVKDONJSA-N 2 2 272.377 2.722 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1ccco1 ZINC000356061798 540303503 /nfs/dbraw/zinc/30/35/03/540303503.db2.gz CSBBEQPZGWGFKK-CVEARBPZSA-N 2 2 292.423 2.987 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1ccco1 ZINC000356061798 540303507 /nfs/dbraw/zinc/30/35/07/540303507.db2.gz CSBBEQPZGWGFKK-CVEARBPZSA-N 2 2 292.423 2.987 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000177908353 189078556 /nfs/dbraw/zinc/07/85/56/189078556.db2.gz RWSVZHRDPWCVHU-CQSZACIVSA-N 2 2 286.419 2.923 20 30 CFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCCC1)c1ccccc1 ZINC000264118507 383698199 /nfs/dbraw/zinc/69/81/99/383698199.db2.gz QPFACWGSDPYLEL-INIZCTEOSA-N 2 2 288.439 2.526 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C#N)[C@H](C)C1 ZINC000081095178 374686267 /nfs/dbraw/zinc/68/62/67/374686267.db2.gz QCIJVQBAFBPZLC-RHSMWYFYSA-N 2 2 271.408 2.720 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C#N)[C@H](C)C1 ZINC000081095178 374686270 /nfs/dbraw/zinc/68/62/70/374686270.db2.gz QCIJVQBAFBPZLC-RHSMWYFYSA-N 2 2 271.408 2.720 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)[C@H](C)C1 ZINC000081095178 374686274 /nfs/dbraw/zinc/68/62/74/374686274.db2.gz QCIJVQBAFBPZLC-RHSMWYFYSA-N 2 2 271.408 2.720 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)[C@H](C)C1 ZINC000081095178 374686276 /nfs/dbraw/zinc/68/62/76/374686276.db2.gz QCIJVQBAFBPZLC-RHSMWYFYSA-N 2 2 271.408 2.720 20 30 CFEDLP C[NH+]1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000090665362 375023780 /nfs/dbraw/zinc/02/37/80/375023780.db2.gz CAIPWWWIJMFKRO-MRXNPFEDSA-N 2 2 257.381 2.715 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC[NH+](CC(C)(C)CCC#N)CC2)CCO1 ZINC000092091317 375088248 /nfs/dbraw/zinc/08/82/48/375088248.db2.gz VODBCSSHMIRYGM-HNNXBMFYSA-N 2 2 293.455 2.501 20 30 CFEDLP C[C@H]1C[N@H+](C2CC[NH+](CC(C)(C)CCC#N)CC2)CCO1 ZINC000092091317 375088254 /nfs/dbraw/zinc/08/82/54/375088254.db2.gz VODBCSSHMIRYGM-HNNXBMFYSA-N 2 2 293.455 2.501 20 30 CFEDLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](C)C#N ZINC000101545319 375639792 /nfs/dbraw/zinc/63/97/92/375639792.db2.gz YGMZHJAVGYYPAP-AWEZNQCLSA-N 2 2 268.364 2.854 20 30 CFEDLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](C)C#N ZINC000101545319 375639793 /nfs/dbraw/zinc/63/97/93/375639793.db2.gz YGMZHJAVGYYPAP-AWEZNQCLSA-N 2 2 268.364 2.854 20 30 CFEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000123831406 376986191 /nfs/dbraw/zinc/98/61/91/376986191.db2.gz WLKCMVXNUPWPMD-KRWDZBQOSA-N 2 2 294.402 2.746 20 30 CFEDLP C#CCCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000150729607 378268664 /nfs/dbraw/zinc/26/86/64/378268664.db2.gz XRGGSLAAHXHCRA-UHFFFAOYSA-N 2 2 253.349 2.765 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1F ZINC000336002515 380221641 /nfs/dbraw/zinc/22/16/41/380221641.db2.gz IJMRVWRYEGXKIG-ZYHUDNBSSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1F ZINC000336002515 380221646 /nfs/dbraw/zinc/22/16/46/380221646.db2.gz IJMRVWRYEGXKIG-ZYHUDNBSSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@H]([NH2+]CCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180660562 380687438 /nfs/dbraw/zinc/68/74/38/380687438.db2.gz CMDUGQKTYUWSRS-ZDUSSCGKSA-N 2 2 254.337 2.827 20 30 CFEDLP CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181393724 380785704 /nfs/dbraw/zinc/78/57/04/380785704.db2.gz DSPWJPVEXKAHPO-AWEZNQCLSA-N 2 2 271.408 2.911 20 30 CFEDLP CCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181388973 380785936 /nfs/dbraw/zinc/78/59/36/380785936.db2.gz GAQGLEDGQOPBJC-UHFFFAOYSA-N 2 2 271.408 2.912 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)s1 ZINC000367991946 380878331 /nfs/dbraw/zinc/87/83/31/380878331.db2.gz FKBWEPQECWXDJB-ZJUUUORDSA-N 2 2 272.377 2.551 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)s1 ZINC000367991946 380878338 /nfs/dbraw/zinc/87/83/38/380878338.db2.gz FKBWEPQECWXDJB-ZJUUUORDSA-N 2 2 272.377 2.551 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OCC#N)cc1 ZINC000368101220 380924250 /nfs/dbraw/zinc/92/42/50/380924250.db2.gz KAEKSQLTRNHHQS-JSGCOSHPSA-N 2 2 296.374 2.520 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(OCC#N)cc1 ZINC000368101220 380924257 /nfs/dbraw/zinc/92/42/57/380924257.db2.gz KAEKSQLTRNHHQS-JSGCOSHPSA-N 2 2 296.374 2.520 20 30 CFEDLP C=C[C@H]1CCCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348348559 381523173 /nfs/dbraw/zinc/52/31/73/381523173.db2.gz APSAURVTJUJGBI-LBPRGKRZSA-N 2 2 265.426 2.745 20 30 CFEDLP C=C[C@H]1CCCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348348559 381523179 /nfs/dbraw/zinc/52/31/79/381523179.db2.gz APSAURVTJUJGBI-LBPRGKRZSA-N 2 2 265.426 2.745 20 30 CFEDLP C#CC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000359884745 381658316 /nfs/dbraw/zinc/65/83/16/381658316.db2.gz ZBNJUJPVCSXTHM-CYBMUJFWSA-N 2 2 262.422 2.714 20 30 CFEDLP C=C(Cl)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000298559562 381674520 /nfs/dbraw/zinc/67/45/20/381674520.db2.gz PFDNYSCBGVTOGJ-UHFFFAOYSA-N 2 2 255.793 2.910 20 30 CFEDLP C=C(Cl)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000298559562 381674529 /nfs/dbraw/zinc/67/45/29/381674529.db2.gz PFDNYSCBGVTOGJ-UHFFFAOYSA-N 2 2 255.793 2.910 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ncccc2CC)CC1 ZINC000356870635 381875673 /nfs/dbraw/zinc/87/56/73/381875673.db2.gz OGKOBHYEJSLSDL-CQSZACIVSA-N 2 2 273.424 2.945 20 30 CFEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000372782511 381868658 /nfs/dbraw/zinc/86/86/58/381868658.db2.gz FRIBUPHWRSPHMU-HZPDHXFCSA-N 2 2 289.423 2.593 20 30 CFEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000372782511 381868663 /nfs/dbraw/zinc/86/86/63/381868663.db2.gz FRIBUPHWRSPHMU-HZPDHXFCSA-N 2 2 289.423 2.593 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000373112360 381930225 /nfs/dbraw/zinc/93/02/25/381930225.db2.gz OFIPZTUDGMYQCJ-INIZCTEOSA-N 2 2 297.377 2.790 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000373112360 381930228 /nfs/dbraw/zinc/93/02/28/381930228.db2.gz OFIPZTUDGMYQCJ-INIZCTEOSA-N 2 2 297.377 2.790 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000373096467 381926187 /nfs/dbraw/zinc/92/61/87/381926187.db2.gz DDXSKMFNDGNOHV-CQSZACIVSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000373096467 381926191 /nfs/dbraw/zinc/92/61/91/381926191.db2.gz DDXSKMFNDGNOHV-CQSZACIVSA-N 2 2 298.365 2.810 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000349805367 381990793 /nfs/dbraw/zinc/99/07/93/381990793.db2.gz VMKYSKWNXAVULH-OCCSQVGLSA-N 2 2 284.338 2.793 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000376034227 382117793 /nfs/dbraw/zinc/11/77/93/382117793.db2.gz XWJJEGOZORPIHW-SFHVURJKSA-N 2 2 293.414 2.856 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000376034227 382117798 /nfs/dbraw/zinc/11/77/98/382117798.db2.gz XWJJEGOZORPIHW-SFHVURJKSA-N 2 2 293.414 2.856 20 30 CFEDLP C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000187074557 382093394 /nfs/dbraw/zinc/09/33/94/382093394.db2.gz UQCFOASANKFOMT-CYBMUJFWSA-N 2 2 291.826 2.985 20 30 CFEDLP C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000187074557 382093402 /nfs/dbraw/zinc/09/34/02/382093402.db2.gz UQCFOASANKFOMT-CYBMUJFWSA-N 2 2 291.826 2.985 20 30 CFEDLP C[NH+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000187074557 382093410 /nfs/dbraw/zinc/09/34/10/382093410.db2.gz UQCFOASANKFOMT-CYBMUJFWSA-N 2 2 291.826 2.985 20 30 CFEDLP C[NH+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000187074557 382093415 /nfs/dbraw/zinc/09/34/15/382093415.db2.gz UQCFOASANKFOMT-CYBMUJFWSA-N 2 2 291.826 2.985 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365622300 382425912 /nfs/dbraw/zinc/42/59/12/382425912.db2.gz DZFADSPHYXJNAH-OAHLLOKOSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365622300 382425917 /nfs/dbraw/zinc/42/59/17/382425917.db2.gz DZFADSPHYXJNAH-OAHLLOKOSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000365641003 382429075 /nfs/dbraw/zinc/42/90/75/382429075.db2.gz UCDUFRBDSZVULD-CQSZACIVSA-N 2 2 298.365 2.810 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365549507 382411309 /nfs/dbraw/zinc/41/13/09/382411309.db2.gz RPJBDRYXDYQVQV-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365549507 382411313 /nfs/dbraw/zinc/41/13/13/382411313.db2.gz RPJBDRYXDYQVQV-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365549507 382411319 /nfs/dbraw/zinc/41/13/19/382411319.db2.gz RPJBDRYXDYQVQV-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365549507 382411324 /nfs/dbraw/zinc/41/13/24/382411324.db2.gz RPJBDRYXDYQVQV-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#CCC[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309987322 382492679 /nfs/dbraw/zinc/49/26/79/382492679.db2.gz YGSXUTXKKKZPST-KRWDZBQOSA-N 2 2 271.408 2.792 20 30 CFEDLP N#CCC[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309987322 382492682 /nfs/dbraw/zinc/49/26/82/382492682.db2.gz YGSXUTXKKKZPST-KRWDZBQOSA-N 2 2 271.408 2.792 20 30 CFEDLP CC[N@H+]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000358329122 382570932 /nfs/dbraw/zinc/57/09/32/382570932.db2.gz OBZFUVXWHQUMNW-XIRDDKMYSA-N 2 2 271.408 2.961 20 30 CFEDLP CC[N@@H+]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000358329122 382570935 /nfs/dbraw/zinc/57/09/35/382570935.db2.gz OBZFUVXWHQUMNW-XIRDDKMYSA-N 2 2 271.408 2.961 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000366633079 382535847 /nfs/dbraw/zinc/53/58/47/382535847.db2.gz IXOALSIUDBJRQE-RDJZCZTQSA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000366633079 382535848 /nfs/dbraw/zinc/53/58/48/382535848.db2.gz IXOALSIUDBJRQE-RDJZCZTQSA-N 2 2 283.419 2.790 20 30 CFEDLP C=C(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000346961983 382588333 /nfs/dbraw/zinc/58/83/33/382588333.db2.gz AIXCJUXAZWYTFB-DOTOQJQBSA-N 2 2 273.424 2.848 20 30 CFEDLP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000346961983 382588339 /nfs/dbraw/zinc/58/83/39/382588339.db2.gz AIXCJUXAZWYTFB-DOTOQJQBSA-N 2 2 273.424 2.848 20 30 CFEDLP C=CC[N@@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191760525 382702308 /nfs/dbraw/zinc/70/23/08/382702308.db2.gz VHIJAOWAFFUBNN-UHFFFAOYSA-N 2 2 271.364 2.507 20 30 CFEDLP C=CC[N@H+](CCOC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191760525 382702309 /nfs/dbraw/zinc/70/23/09/382702309.db2.gz VHIJAOWAFFUBNN-UHFFFAOYSA-N 2 2 271.364 2.507 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000218133598 382789250 /nfs/dbraw/zinc/78/92/50/382789250.db2.gz ZMKFWIIEXXTNQW-JQFCIGGWSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000218133598 382789252 /nfs/dbraw/zinc/78/92/52/382789252.db2.gz ZMKFWIIEXXTNQW-JQFCIGGWSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578263648 382905111 /nfs/dbraw/zinc/90/51/11/382905111.db2.gz OQEMKDQYCKDVIP-CZUORRHYSA-N 2 2 280.375 2.842 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)C1 ZINC000442785309 382956901 /nfs/dbraw/zinc/95/69/01/382956901.db2.gz VGDZXEHZUUJSBX-ZFWWWQNUSA-N 2 2 266.348 2.654 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1n1cc[nH+]c1 ZINC000246911340 383120591 /nfs/dbraw/zinc/12/05/91/383120591.db2.gz UREMXVMKLOSTAE-IUODEOHRSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1n1cc[nH+]c1 ZINC000246911340 383120600 /nfs/dbraw/zinc/12/06/00/383120600.db2.gz UREMXVMKLOSTAE-IUODEOHRSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC#N ZINC000246996218 383130456 /nfs/dbraw/zinc/13/04/56/383130456.db2.gz LDCFJZQDMBSESN-NVXWUHKLSA-N 2 2 286.423 2.575 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCC#N ZINC000246996218 383130459 /nfs/dbraw/zinc/13/04/59/383130459.db2.gz LDCFJZQDMBSESN-NVXWUHKLSA-N 2 2 286.423 2.575 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC000248008096 383205878 /nfs/dbraw/zinc/20/58/78/383205878.db2.gz KZYBQKIOYMHPMT-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC000248008096 383205881 /nfs/dbraw/zinc/20/58/81/383205881.db2.gz KZYBQKIOYMHPMT-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC000248008096 383205885 /nfs/dbraw/zinc/20/58/85/383205885.db2.gz KZYBQKIOYMHPMT-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC000248008096 383205892 /nfs/dbraw/zinc/20/58/92/383205892.db2.gz KZYBQKIOYMHPMT-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449078332 383164028 /nfs/dbraw/zinc/16/40/28/383164028.db2.gz LYFGSYDEGAKACJ-FHERZECASA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449078332 383164030 /nfs/dbraw/zinc/16/40/30/383164030.db2.gz LYFGSYDEGAKACJ-FHERZECASA-N 2 2 263.429 2.923 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389480 383258781 /nfs/dbraw/zinc/25/87/81/383258781.db2.gz DCPSTWKHDNYZRG-HZPDHXFCSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389480 383258785 /nfs/dbraw/zinc/25/87/85/383258785.db2.gz DCPSTWKHDNYZRG-HZPDHXFCSA-N 2 2 268.445 2.558 20 30 CFEDLP C[C@H](F)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000339499012 383217551 /nfs/dbraw/zinc/21/75/51/383217551.db2.gz VKBPYDFRXGTRTC-AWEZNQCLSA-N 2 2 289.398 2.860 20 30 CFEDLP CC[NH+](CC)CC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425206542 383340742 /nfs/dbraw/zinc/34/07/42/383340742.db2.gz LERQSQODTVCELF-UHFFFAOYSA-N 2 2 286.423 2.820 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248739289 383286595 /nfs/dbraw/zinc/28/65/95/383286595.db2.gz DZEZJLCMXZEMNW-FPCVCCKLSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000248739289 383286599 /nfs/dbraw/zinc/28/65/99/383286599.db2.gz DZEZJLCMXZEMNW-FPCVCCKLSA-N 2 2 263.429 2.779 20 30 CFEDLP CC#CCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000482162051 383431897 /nfs/dbraw/zinc/43/18/97/383431897.db2.gz FXDCCUPMHHZLAT-SJLPKXTDSA-N 2 2 270.420 2.900 20 30 CFEDLP CC#CCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000482162051 383431902 /nfs/dbraw/zinc/43/19/02/383431902.db2.gz FXDCCUPMHHZLAT-SJLPKXTDSA-N 2 2 270.420 2.900 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000437572601 383905361 /nfs/dbraw/zinc/90/53/61/383905361.db2.gz WFRVYRMACXFUNR-MAUKXSAKSA-N 2 2 288.410 2.982 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000437572601 383905373 /nfs/dbraw/zinc/90/53/73/383905373.db2.gz WFRVYRMACXFUNR-MAUKXSAKSA-N 2 2 288.410 2.982 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000437572601 383905380 /nfs/dbraw/zinc/90/53/80/383905380.db2.gz WFRVYRMACXFUNR-MAUKXSAKSA-N 2 2 288.410 2.982 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000437572601 383905386 /nfs/dbraw/zinc/90/53/86/383905386.db2.gz WFRVYRMACXFUNR-MAUKXSAKSA-N 2 2 288.410 2.982 20 30 CFEDLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271974218 385415517 /nfs/dbraw/zinc/41/55/17/385415517.db2.gz XJGLGGGZUBNCRY-GFCCVEGCSA-N 2 2 275.371 2.832 20 30 CFEDLP C=CCCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000274606791 385833025 /nfs/dbraw/zinc/83/30/25/385833025.db2.gz RXTNBWSEBUNMJZ-UHFFFAOYSA-N 2 2 273.424 2.992 20 30 CFEDLP N#Cc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)o1 ZINC000355706311 130338504 /nfs/dbraw/zinc/33/85/04/130338504.db2.gz OZNOUOZERHTGRD-UHFFFAOYSA-N 2 2 278.315 2.627 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000268786843 132065733 /nfs/dbraw/zinc/06/57/33/132065733.db2.gz BTDPFJANJUSTRH-CABCVRRESA-N 2 2 283.375 2.634 20 30 CFEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192860917 393633746 /nfs/dbraw/zinc/63/37/46/393633746.db2.gz SBRPMIAXESWHFZ-ARFHVFGLSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192860917 393633751 /nfs/dbraw/zinc/63/37/51/393633751.db2.gz SBRPMIAXESWHFZ-ARFHVFGLSA-N 2 2 263.429 2.923 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4C[C@H]4C3)CC2)cc1 ZINC000424211353 393798293 /nfs/dbraw/zinc/79/82/93/393798293.db2.gz XTMMLZPEOUQIJL-IZZQQSIFSA-N 2 2 295.430 2.911 20 30 CFEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000338953161 393807554 /nfs/dbraw/zinc/80/75/54/393807554.db2.gz RBLDTAZZTDDSMB-OAHLLOKOSA-N 2 2 298.390 2.744 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccc(C#N)cc1 ZINC000342748653 393870236 /nfs/dbraw/zinc/87/02/36/393870236.db2.gz XDUONZCKJLTKBD-XEZPLFJOSA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccc(C#N)cc1 ZINC000342748653 393870237 /nfs/dbraw/zinc/87/02/37/393870237.db2.gz XDUONZCKJLTKBD-XEZPLFJOSA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000268786761 393994411 /nfs/dbraw/zinc/99/44/11/393994411.db2.gz CUTFBGRTVMOIJR-IGCXYCKISA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000268786761 393994414 /nfs/dbraw/zinc/99/44/14/393994414.db2.gz CUTFBGRTVMOIJR-IGCXYCKISA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C[N@@H+]1C1CC1 ZINC000353237748 394026445 /nfs/dbraw/zinc/02/64/45/394026445.db2.gz FTSUKXPDGFMHEY-CDHAZOANSA-N 2 2 281.403 2.760 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C[N@H+]1C1CC1 ZINC000353237748 394026450 /nfs/dbraw/zinc/02/64/50/394026450.db2.gz FTSUKXPDGFMHEY-CDHAZOANSA-N 2 2 281.403 2.760 20 30 CFEDLP C#C[C@@H](CC)[NH2+]Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000491668582 394055921 /nfs/dbraw/zinc/05/59/21/394055921.db2.gz ZDENSWKZOLYECT-ZDUSSCGKSA-N 2 2 255.365 2.959 20 30 CFEDLP N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131918842 394144190 /nfs/dbraw/zinc/14/41/90/394144190.db2.gz BFGFTVKQGBLOCQ-QGZVFWFLSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131918842 394144194 /nfs/dbraw/zinc/14/41/94/394144194.db2.gz BFGFTVKQGBLOCQ-QGZVFWFLSA-N 2 2 297.333 2.746 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684954557 542876580 /nfs/dbraw/zinc/87/65/80/542876580.db2.gz ASGLKJDVBCPIGI-MRXNPFEDSA-N 2 2 271.408 2.699 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151118381 394261365 /nfs/dbraw/zinc/26/13/65/394261365.db2.gz MKQKOBCFVMUYDC-HOCLYGCPSA-N 2 2 286.419 2.966 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151118381 394261368 /nfs/dbraw/zinc/26/13/68/394261368.db2.gz MKQKOBCFVMUYDC-HOCLYGCPSA-N 2 2 286.419 2.966 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450731433 394328874 /nfs/dbraw/zinc/32/88/74/394328874.db2.gz ZYJKKMZJWYCPIK-HUUCEWRRSA-N 2 2 275.440 2.923 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450731433 394328876 /nfs/dbraw/zinc/32/88/76/394328876.db2.gz ZYJKKMZJWYCPIK-HUUCEWRRSA-N 2 2 275.440 2.923 20 30 CFEDLP CC[N@H+](CCCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390364 394378523 /nfs/dbraw/zinc/37/85/23/394378523.db2.gz WIYYBLYTTCDMLW-UHFFFAOYSA-N 2 2 286.423 2.924 20 30 CFEDLP CC[N@@H+](CCCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390364 394378524 /nfs/dbraw/zinc/37/85/24/394378524.db2.gz WIYYBLYTTCDMLW-UHFFFAOYSA-N 2 2 286.423 2.924 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000651670415 413556443 /nfs/dbraw/zinc/55/64/43/413556443.db2.gz HIKZBKCBEFVLKL-TWMKSMIVSA-N 2 2 280.456 2.820 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000651670415 413556455 /nfs/dbraw/zinc/55/64/55/413556455.db2.gz HIKZBKCBEFVLKL-TWMKSMIVSA-N 2 2 280.456 2.820 20 30 CFEDLP C=CCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657583190 413770425 /nfs/dbraw/zinc/77/04/25/413770425.db2.gz GEEHMTPLLXANOL-UHFFFAOYSA-N 2 2 250.308 2.569 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657876505 414020304 /nfs/dbraw/zinc/02/03/04/414020304.db2.gz XIJTUTBFZRDNHM-CYBMUJFWSA-N 2 2 254.443 2.512 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000657890666 414032622 /nfs/dbraw/zinc/03/26/22/414032622.db2.gz LWODZSOPJVUERD-BRWVUGGUSA-N 2 2 280.456 2.679 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657981413 414086891 /nfs/dbraw/zinc/08/68/91/414086891.db2.gz QSNHSNNVCMWCRH-QLFBSQMISA-N 2 2 259.397 2.922 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000658026398 414111792 /nfs/dbraw/zinc/11/17/92/414111792.db2.gz UEXXOTSODBCKED-BRWVUGGUSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000658026398 414111838 /nfs/dbraw/zinc/11/18/38/414111838.db2.gz UEXXOTSODBCKED-BRWVUGGUSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000658025415 414112130 /nfs/dbraw/zinc/11/21/30/414112130.db2.gz BKOGPYJBAIIPEP-IXDOHACOSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000658025415 414112140 /nfs/dbraw/zinc/11/21/40/414112140.db2.gz BKOGPYJBAIIPEP-IXDOHACOSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000658294198 414353884 /nfs/dbraw/zinc/35/38/84/414353884.db2.gz MEXOPTDASUAZQH-IRXDYDNUSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655735828 414400158 /nfs/dbraw/zinc/40/01/58/414400158.db2.gz KNDYPFSUFFLPGA-DOTOQJQBSA-N 2 2 280.456 2.964 20 30 CFEDLP C=CC[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCC[NH2+]1 ZINC000662672505 414590236 /nfs/dbraw/zinc/59/02/36/414590236.db2.gz AEPVPAAHPJZIOE-QGZVFWFLSA-N 2 2 296.374 2.509 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347963407 226389651 /nfs/dbraw/zinc/38/96/51/226389651.db2.gz QODOTKSLRNURNL-KBPBESRZSA-N 2 2 261.413 2.533 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347963407 226389652 /nfs/dbraw/zinc/38/96/52/226389652.db2.gz QODOTKSLRNURNL-KBPBESRZSA-N 2 2 261.413 2.533 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000187977560 260068916 /nfs/dbraw/zinc/06/89/16/260068916.db2.gz PHCHPRNOAPIXMF-CQSZACIVSA-N 2 2 276.399 2.997 20 30 CFEDLP CCCC[N@H+](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449140791 260249306 /nfs/dbraw/zinc/24/93/06/260249306.db2.gz CUVAJJIEAZOWGG-UHFFFAOYSA-N 2 2 251.418 2.780 20 30 CFEDLP CCCC[N@@H+](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449140791 260249307 /nfs/dbraw/zinc/24/93/07/260249307.db2.gz CUVAJJIEAZOWGG-UHFFFAOYSA-N 2 2 251.418 2.780 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248877595 261207711 /nfs/dbraw/zinc/20/77/11/261207711.db2.gz OISNYENHTABGIF-WMZOPIPTSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248877595 261207713 /nfs/dbraw/zinc/20/77/13/261207713.db2.gz OISNYENHTABGIF-WMZOPIPTSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248877595 261207714 /nfs/dbraw/zinc/20/77/14/261207714.db2.gz OISNYENHTABGIF-WMZOPIPTSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)[C@@H](C)C1 ZINC000248877595 261207716 /nfs/dbraw/zinc/20/77/16/261207716.db2.gz OISNYENHTABGIF-WMZOPIPTSA-N 2 2 270.420 2.700 20 30 CFEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000364860397 262263310 /nfs/dbraw/zinc/26/33/10/262263310.db2.gz WXOXWMJBKDKLQN-CYBMUJFWSA-N 2 2 277.437 2.994 20 30 CFEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCCC#N)[C@H](C)C2)s1 ZINC000364917560 262264594 /nfs/dbraw/zinc/26/45/94/262264594.db2.gz QSGRNMOUPCYFLI-IUODEOHRSA-N 2 2 292.452 2.555 20 30 CFEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCCC#N)[C@H](C)C2)s1 ZINC000364917560 262264595 /nfs/dbraw/zinc/26/45/95/262264595.db2.gz QSGRNMOUPCYFLI-IUODEOHRSA-N 2 2 292.452 2.555 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCCC#N)CC1 ZINC000278759354 263050615 /nfs/dbraw/zinc/05/06/15/263050615.db2.gz XRMHTBLFCIGGJL-UHFFFAOYSA-N 2 2 259.353 2.537 20 30 CFEDLP Cc1cn2cc(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)ccc2[nH+]1 ZINC000328915850 263901416 /nfs/dbraw/zinc/90/14/16/263901416.db2.gz JYQGDXWBZMQAKO-GFCCVEGCSA-N 2 2 295.346 2.690 20 30 CFEDLP Cc1cc(C)c(NC(=O)NCC[NH+]2CCCCC2)c(C)[nH+]1 ZINC000331241807 264177077 /nfs/dbraw/zinc/17/70/77/264177077.db2.gz QNPSMSIFXCRZAD-UHFFFAOYSA-N 2 2 290.411 2.819 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC[NH+](CCCC(C)(C)C#N)CC2)CCO1 ZINC000363308712 267086974 /nfs/dbraw/zinc/08/69/74/267086974.db2.gz ICWAYWDHFRLAKE-OAHLLOKOSA-N 2 2 293.455 2.501 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC[NH+](CCCC(C)(C)C#N)CC2)CCO1 ZINC000363308712 267086975 /nfs/dbraw/zinc/08/69/75/267086975.db2.gz ICWAYWDHFRLAKE-OAHLLOKOSA-N 2 2 293.455 2.501 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000370665461 267336642 /nfs/dbraw/zinc/33/66/42/267336642.db2.gz BTUSJFWFJCFDCE-NVXWUHKLSA-N 2 2 298.434 2.575 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000370665461 267336644 /nfs/dbraw/zinc/33/66/44/267336644.db2.gz BTUSJFWFJCFDCE-NVXWUHKLSA-N 2 2 298.434 2.575 20 30 CFEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527810113 268233303 /nfs/dbraw/zinc/23/33/03/268233303.db2.gz UVSLTZIKRNZWOQ-QGZVFWFLSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527810113 268233306 /nfs/dbraw/zinc/23/33/06/268233306.db2.gz UVSLTZIKRNZWOQ-QGZVFWFLSA-N 2 2 269.392 2.665 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1F ZINC000547979803 281762306 /nfs/dbraw/zinc/76/23/06/281762306.db2.gz MDKWPMDRWVLOOI-YPMHNXCESA-N 2 2 284.338 2.559 20 30 CFEDLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000264555733 328160312 /nfs/dbraw/zinc/16/03/12/328160312.db2.gz MRMWLCLAHXSDCC-UHFFFAOYSA-N 2 2 287.407 2.551 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000184090816 329256227 /nfs/dbraw/zinc/25/62/27/329256227.db2.gz CJKDHUVCTJNRGC-NSHDSACASA-N 2 2 277.334 2.685 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363414225 327089780 /nfs/dbraw/zinc/08/97/80/327089780.db2.gz LIHVTEPLGYQFHB-AWEZNQCLSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000363414225 327089781 /nfs/dbraw/zinc/08/97/81/327089781.db2.gz LIHVTEPLGYQFHB-AWEZNQCLSA-N 2 2 263.429 2.923 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000179122754 329205594 /nfs/dbraw/zinc/20/55/94/329205594.db2.gz PMJNWMODLKWEEJ-BBWFWOEESA-N 2 2 290.451 2.574 20 30 CFEDLP CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000185756062 329331093 /nfs/dbraw/zinc/33/10/93/329331093.db2.gz DSCJINPBNCQLCO-CABCVRRESA-N 2 2 263.429 2.923 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000264956909 330062042 /nfs/dbraw/zinc/06/20/42/330062042.db2.gz MTZQAAVOHOLVBR-UHFFFAOYSA-N 2 2 280.799 2.786 20 30 CFEDLP C=CCOc1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422564323 330149356 /nfs/dbraw/zinc/14/93/56/330149356.db2.gz VQNYYCNYKUYFFL-UHFFFAOYSA-N 2 2 272.392 2.579 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422828020 330156577 /nfs/dbraw/zinc/15/65/77/330156577.db2.gz FOVZMIPLNOIRHD-KZNAEPCWSA-N 3 2 293.499 2.935 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000422837699 330157286 /nfs/dbraw/zinc/15/72/86/330157286.db2.gz VEEVWOPJODVXGQ-FGTMMUONSA-N 3 2 293.499 2.792 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000423106665 330170564 /nfs/dbraw/zinc/17/05/64/330170564.db2.gz OPRGYMMSRZOUAF-RHSMWYFYSA-N 2 2 274.408 2.872 20 30 CFEDLP N#C[C@H]1CCC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000423280222 330185453 /nfs/dbraw/zinc/18/54/53/330185453.db2.gz SMOPKYPXEZRDES-HOCLYGCPSA-N 2 2 263.429 2.971 20 30 CFEDLP C=CCC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000119960041 330381843 /nfs/dbraw/zinc/38/18/43/330381843.db2.gz WNPAMSWSGCMLIH-ZOBUZTSGSA-N 2 2 280.456 2.820 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000491781483 332345532 /nfs/dbraw/zinc/34/55/32/332345532.db2.gz KLYBDUCRCLOJKV-HNNXBMFYSA-N 2 2 288.439 2.604 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000491781483 332345533 /nfs/dbraw/zinc/34/55/33/332345533.db2.gz KLYBDUCRCLOJKV-HNNXBMFYSA-N 2 2 288.439 2.604 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCCC#N ZINC000246250605 334246586 /nfs/dbraw/zinc/24/65/86/334246586.db2.gz PJPWQVKUOYWWHD-DOTOQJQBSA-N 2 2 271.408 2.790 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCCC#N ZINC000246250605 334246587 /nfs/dbraw/zinc/24/65/87/334246587.db2.gz PJPWQVKUOYWWHD-DOTOQJQBSA-N 2 2 271.408 2.790 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000249332469 334332165 /nfs/dbraw/zinc/33/21/65/334332165.db2.gz XJVKAJZBQIQWAB-ZBFHGGJFSA-N 2 2 287.407 2.724 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000249332469 334332167 /nfs/dbraw/zinc/33/21/67/334332167.db2.gz XJVKAJZBQIQWAB-ZBFHGGJFSA-N 2 2 287.407 2.724 20 30 CFEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192054866 521498392 /nfs/dbraw/zinc/49/83/92/521498392.db2.gz MFUHHGGSUQUIBQ-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192054866 521498401 /nfs/dbraw/zinc/49/84/01/521498401.db2.gz MFUHHGGSUQUIBQ-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192054866 521498410 /nfs/dbraw/zinc/49/84/10/521498410.db2.gz MFUHHGGSUQUIBQ-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192054866 521498425 /nfs/dbraw/zinc/49/84/25/521498425.db2.gz MFUHHGGSUQUIBQ-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP N#CCCCOc1cccc(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353690694 534614905 /nfs/dbraw/zinc/61/49/05/534614905.db2.gz SDESPUINKULCBH-FUHWJXTLSA-N 2 2 299.418 2.553 20 30 CFEDLP N#CCCCOc1cccc(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000353690694 534614912 /nfs/dbraw/zinc/61/49/12/534614912.db2.gz SDESPUINKULCBH-FUHWJXTLSA-N 2 2 299.418 2.553 20 30 CFEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000354100152 522626216 /nfs/dbraw/zinc/62/62/16/522626216.db2.gz JVJKWPCNORNVKJ-INIZCTEOSA-N 2 2 283.419 2.722 20 30 CFEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000354100152 522626224 /nfs/dbraw/zinc/62/62/24/522626224.db2.gz JVJKWPCNORNVKJ-INIZCTEOSA-N 2 2 283.419 2.722 20 30 CFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000354100152 522626238 /nfs/dbraw/zinc/62/62/38/522626238.db2.gz JVJKWPCNORNVKJ-INIZCTEOSA-N 2 2 283.419 2.722 20 30 CFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000354100152 522626245 /nfs/dbraw/zinc/62/62/45/522626245.db2.gz JVJKWPCNORNVKJ-INIZCTEOSA-N 2 2 283.419 2.722 20 30 CFEDLP C[N@H+](Cc1cccc(C#N)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335071850 523298382 /nfs/dbraw/zinc/29/83/82/523298382.db2.gz PUTVIDGPRYTBET-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C[N@@H+](Cc1cccc(C#N)c1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335071850 523298398 /nfs/dbraw/zinc/29/83/98/523298398.db2.gz PUTVIDGPRYTBET-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C[NH+](Cc1cccc(C#N)c1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335071850 523298405 /nfs/dbraw/zinc/29/84/05/523298405.db2.gz PUTVIDGPRYTBET-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C[NH+](Cc1cccc(C#N)c1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335071850 523298415 /nfs/dbraw/zinc/29/84/15/523298415.db2.gz PUTVIDGPRYTBET-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000334877512 524514065 /nfs/dbraw/zinc/51/40/65/524514065.db2.gz VXZBXLLMTUSICY-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000334877512 524514073 /nfs/dbraw/zinc/51/40/73/524514073.db2.gz VXZBXLLMTUSICY-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP N#Cc1c(F)cccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000336110089 526523271 /nfs/dbraw/zinc/52/32/71/526523271.db2.gz LLQONVVLMAMPNA-UHFFFAOYSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000192036464 526616803 /nfs/dbraw/zinc/61/68/03/526616803.db2.gz MEIYKHPLRYLXCN-OAHLLOKOSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000192036464 526616805 /nfs/dbraw/zinc/61/68/05/526616805.db2.gz MEIYKHPLRYLXCN-OAHLLOKOSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000192923999 526623937 /nfs/dbraw/zinc/62/39/37/526623937.db2.gz PSWMCYPYHQFCQU-INIZCTEOSA-N 2 2 295.386 2.763 20 30 CFEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192923999 526623942 /nfs/dbraw/zinc/62/39/42/526623942.db2.gz PSWMCYPYHQFCQU-INIZCTEOSA-N 2 2 295.386 2.763 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000335177481 526691610 /nfs/dbraw/zinc/69/16/10/526691610.db2.gz HKGVRBVUMCPRNJ-WBVHZDCISA-N 2 2 269.392 2.667 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347183356 526864302 /nfs/dbraw/zinc/86/43/02/526864302.db2.gz WPVMDNNMUYRLMG-INIZCTEOSA-N 2 2 272.392 2.578 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347183356 526864308 /nfs/dbraw/zinc/86/43/08/526864308.db2.gz WPVMDNNMUYRLMG-INIZCTEOSA-N 2 2 272.392 2.578 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1OC ZINC000347024898 526865049 /nfs/dbraw/zinc/86/50/49/526865049.db2.gz RMYSQHBZLPDNOF-HNNXBMFYSA-N 2 2 290.407 2.573 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1OC ZINC000347024898 526865056 /nfs/dbraw/zinc/86/50/56/526865056.db2.gz RMYSQHBZLPDNOF-HNNXBMFYSA-N 2 2 290.407 2.573 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000347106906 526866013 /nfs/dbraw/zinc/86/60/13/526866013.db2.gz NXUWBXHJIHYNLZ-RHSMWYFYSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000347106906 526866015 /nfs/dbraw/zinc/86/60/15/526866015.db2.gz NXUWBXHJIHYNLZ-RHSMWYFYSA-N 2 2 274.408 2.953 20 30 CFEDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]CC#Cc1ccccc1 ZINC000051814017 618079546 /nfs/dbraw/zinc/07/95/46/618079546.db2.gz DSOHJYAABRSBMY-KRWDZBQOSA-N 2 2 270.420 2.892 20 30 CFEDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC#Cc1ccccc1 ZINC000051814017 618079549 /nfs/dbraw/zinc/07/95/49/618079549.db2.gz DSOHJYAABRSBMY-KRWDZBQOSA-N 2 2 270.420 2.892 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000248063991 618193069 /nfs/dbraw/zinc/19/30/69/618193069.db2.gz ZBSHVTDIANGESW-WBVHZDCISA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000248063991 618193070 /nfs/dbraw/zinc/19/30/70/618193070.db2.gz ZBSHVTDIANGESW-WBVHZDCISA-N 2 2 286.419 2.834 20 30 CFEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000895378493 618557674 /nfs/dbraw/zinc/55/76/74/618557674.db2.gz QNOQEMNMGFUFAZ-CZUORRHYSA-N 2 2 275.396 2.703 20 30 CFEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000895378493 618557680 /nfs/dbraw/zinc/55/76/80/618557680.db2.gz QNOQEMNMGFUFAZ-CZUORRHYSA-N 2 2 275.396 2.703 20 30 CFEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926841195 618735931 /nfs/dbraw/zinc/73/59/31/618735931.db2.gz XNLMXJOCOVSMQM-VQHPVUNQSA-N 2 2 260.425 2.785 20 30 CFEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926841195 618735934 /nfs/dbraw/zinc/73/59/34/618735934.db2.gz XNLMXJOCOVSMQM-VQHPVUNQSA-N 2 2 260.425 2.785 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000925547707 618908303 /nfs/dbraw/zinc/90/83/03/618908303.db2.gz COCFUXGBYHVDAT-SFHVURJKSA-N 3 2 287.451 2.707 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000893607060 619091236 /nfs/dbraw/zinc/09/12/36/619091236.db2.gz TZWHYFFQIVJMKK-AWEZNQCLSA-N 2 2 251.418 2.779 20 30 CFEDLP C#CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895671975 619582885 /nfs/dbraw/zinc/58/28/85/619582885.db2.gz SAGBQHMMJLZSMI-UHFFFAOYSA-N 2 2 298.430 2.759 20 30 CFEDLP CCO[C@H](C[NH2+][C@H](CC)c1cccc(C#N)c1)C[NH+](C)C ZINC000926964399 620433767 /nfs/dbraw/zinc/43/37/67/620433767.db2.gz ROAIZOXBJAUFIO-IAGOWNOFSA-N 2 2 289.423 2.566 20 30 CFEDLP C#CC[N@H+](Cc1cc(C)c(C)cc1O)C1CC[NH+](C)CC1 ZINC000902538284 621113529 /nfs/dbraw/zinc/11/35/29/621113529.db2.gz SAEATVUHGOMVDB-UHFFFAOYSA-N 2 2 286.419 2.538 20 30 CFEDLP C#CC[N@@H+](Cc1cc(C)c(C)cc1O)C1CC[NH+](C)CC1 ZINC000902538284 621113530 /nfs/dbraw/zinc/11/35/30/621113530.db2.gz SAEATVUHGOMVDB-UHFFFAOYSA-N 2 2 286.419 2.538 20 30 CFEDLP C#C[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@H]1CCCO1 ZINC000902958769 621214425 /nfs/dbraw/zinc/21/44/25/621214425.db2.gz SRFMRCRJYHGNOA-FHLIZLRMSA-N 2 2 295.386 2.704 20 30 CFEDLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc(C#N)c1 ZINC000902962806 621215093 /nfs/dbraw/zinc/21/50/93/621215093.db2.gz MHBOSKLMDCYNQF-HZPDHXFCSA-N 2 2 280.375 2.810 20 30 CFEDLP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@]1(C)CCCCO1 ZINC000903022308 621233374 /nfs/dbraw/zinc/23/33/74/621233374.db2.gz HDIXFKOTVCMYCW-JKSUJKDBSA-N 2 2 280.456 2.964 20 30 CFEDLP C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903092690 621257792 /nfs/dbraw/zinc/25/77/92/621257792.db2.gz DMRJRJPYPFZBGP-GDBMZVCRSA-N 2 2 285.391 2.850 20 30 CFEDLP N#CC1(CCCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000903716882 621424701 /nfs/dbraw/zinc/42/47/01/621424701.db2.gz CYSMQGYVIWZSHX-CABCVRRESA-N 2 2 261.413 2.677 20 30 CFEDLP N#CC1(CCCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000903716882 621424703 /nfs/dbraw/zinc/42/47/03/621424703.db2.gz CYSMQGYVIWZSHX-CABCVRRESA-N 2 2 261.413 2.677 20 30 CFEDLP C=CC[N@@H+](CCc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903885883 621464501 /nfs/dbraw/zinc/46/45/01/621464501.db2.gz LNOUHPJBCXIBBR-CQSZACIVSA-N 2 2 268.351 2.700 20 30 CFEDLP C=CC[N@H+](CCc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC000903885883 621464502 /nfs/dbraw/zinc/46/45/02/621464502.db2.gz LNOUHPJBCXIBBR-CQSZACIVSA-N 2 2 268.351 2.700 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000820809735 622762420 /nfs/dbraw/zinc/76/24/20/622762420.db2.gz HJWJTCXQBYWENP-RDJZCZTQSA-N 2 2 280.456 2.558 20 30 CFEDLP N#Cc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cs1 ZINC000921554830 625985933 /nfs/dbraw/zinc/98/59/33/625985933.db2.gz BGQHVMGZBOWNEA-UHFFFAOYSA-N 2 2 275.421 2.584 20 30 CFEDLP C#C[C@@H](CC)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000809685832 626548959 /nfs/dbraw/zinc/54/89/59/626548959.db2.gz ULFGOPQBWUOREL-HNNXBMFYSA-N 2 2 285.435 2.723 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2c(C)onc2CC)CC1 ZINC000769871279 627482339 /nfs/dbraw/zinc/48/23/39/627482339.db2.gz FXNMKHUPXVQQLX-LBPRGKRZSA-N 2 2 277.412 2.846 20 30 CFEDLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776163769 628109498 /nfs/dbraw/zinc/10/94/98/628109498.db2.gz WEUSNHMCSAKTGG-GJZGRUSLSA-N 2 2 287.407 2.724 20 30 CFEDLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776163769 628109500 /nfs/dbraw/zinc/10/95/00/628109500.db2.gz WEUSNHMCSAKTGG-GJZGRUSLSA-N 2 2 287.407 2.724 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(OCC#N)cc1 ZINC000817955298 632755155 /nfs/dbraw/zinc/75/51/55/632755155.db2.gz VIXUVOXMPQWUIM-KDOFPFPSSA-N 2 2 295.386 2.940 20 30 CFEDLP C#Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575304 633294407 /nfs/dbraw/zinc/29/44/07/633294407.db2.gz OAMMUXQWFJJDDP-ROUUACIJSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575304 633294413 /nfs/dbraw/zinc/29/44/13/633294413.db2.gz OAMMUXQWFJJDDP-ROUUACIJSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000850342575 633946442 /nfs/dbraw/zinc/94/64/42/633946442.db2.gz HTOVKTBFVCEMGC-INIZCTEOSA-N 2 2 256.393 2.630 20 30 CFEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000850342575 633946444 /nfs/dbraw/zinc/94/64/44/633946444.db2.gz HTOVKTBFVCEMGC-INIZCTEOSA-N 2 2 256.393 2.630 20 30 CFEDLP C#CC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000862443650 637383929 /nfs/dbraw/zinc/38/39/29/637383929.db2.gz RQCZYVXUBZKLNR-HNNXBMFYSA-N 2 2 265.360 2.718 20 30 CFEDLP C#CC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000862443650 637383937 /nfs/dbraw/zinc/38/39/37/637383937.db2.gz RQCZYVXUBZKLNR-HNNXBMFYSA-N 2 2 265.360 2.718 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OCC#N)cc1 ZINC000863543300 637690062 /nfs/dbraw/zinc/69/00/62/637690062.db2.gz XWOOXCDXVVIZEC-XJKSGUPXSA-N 2 2 285.391 2.524 20 30 CFEDLP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866272248 638785941 /nfs/dbraw/zinc/78/59/41/638785941.db2.gz LTVPVUHEHAJGPH-CYBMUJFWSA-N 2 2 298.390 2.900 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866400347 638815509 /nfs/dbraw/zinc/81/55/09/638815509.db2.gz YXRXGUINCIZJRA-UONOGXRCSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866400347 638815510 /nfs/dbraw/zinc/81/55/10/638815510.db2.gz YXRXGUINCIZJRA-UONOGXRCSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872032969 641562849 /nfs/dbraw/zinc/56/28/49/641562849.db2.gz DEEZEXRPVUHQBG-JKSUJKDBSA-N 2 2 280.456 2.820 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000876837309 643033253 /nfs/dbraw/zinc/03/32/53/643033253.db2.gz CINFEZPTAXEXHX-OAHLLOKOSA-N 2 2 286.423 2.790 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000876991403 643096753 /nfs/dbraw/zinc/09/67/53/643096753.db2.gz XHZOYNNYCDYKPQ-AWEZNQCLSA-N 2 2 268.364 2.902 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000245741903 650832110 /nfs/dbraw/zinc/83/21/10/650832110.db2.gz GHNRXRZOHDLVAD-FUHWJXTLSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000245741903 650832112 /nfs/dbraw/zinc/83/21/12/650832112.db2.gz GHNRXRZOHDLVAD-FUHWJXTLSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245741903 650832114 /nfs/dbraw/zinc/83/21/14/650832114.db2.gz GHNRXRZOHDLVAD-FUHWJXTLSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000245741903 650832115 /nfs/dbraw/zinc/83/21/15/650832115.db2.gz GHNRXRZOHDLVAD-FUHWJXTLSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000245741907 650832252 /nfs/dbraw/zinc/83/22/52/650832252.db2.gz GHNRXRZOHDLVAD-SJLPKXTDSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000245741907 650832254 /nfs/dbraw/zinc/83/22/54/650832254.db2.gz GHNRXRZOHDLVAD-SJLPKXTDSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000245741907 650832256 /nfs/dbraw/zinc/83/22/56/650832256.db2.gz GHNRXRZOHDLVAD-SJLPKXTDSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000245741907 650832259 /nfs/dbraw/zinc/83/22/59/650832259.db2.gz GHNRXRZOHDLVAD-SJLPKXTDSA-N 2 2 298.430 2.615 20 30 CFEDLP C=CCCCCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206129 644582021 /nfs/dbraw/zinc/58/20/21/644582021.db2.gz YRQLRPTWKJPTKQ-QGZVFWFLSA-N 2 2 280.456 2.966 20 30 CFEDLP C=CCCCCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880206129 644582025 /nfs/dbraw/zinc/58/20/25/644582025.db2.gz YRQLRPTWKJPTKQ-QGZVFWFLSA-N 2 2 280.456 2.966 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)[C@@H]1CCCO1 ZINC000883165522 645634637 /nfs/dbraw/zinc/63/46/37/645634637.db2.gz GVCBAKNKYFBLNX-JYJNAYRXSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)[C@@H]1CCCO1 ZINC000883165522 645634639 /nfs/dbraw/zinc/63/46/39/645634639.db2.gz GVCBAKNKYFBLNX-JYJNAYRXSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CC=C)CC1)[C@@H]1CCCO1 ZINC000883187708 645648885 /nfs/dbraw/zinc/64/88/85/645648885.db2.gz UKFSECBNIKAYRZ-SJORKVTESA-N 2 2 278.440 2.740 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883387930 645785409 /nfs/dbraw/zinc/78/54/09/645785409.db2.gz ILMKMFIAAYLQCB-DJIMGWMZSA-N 2 2 280.375 2.906 20 30 CFEDLP CC[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(C#N)c1O ZINC000924855803 648061139 /nfs/dbraw/zinc/06/11/39/648061139.db2.gz SRFFWRANGKGTJG-HNNXBMFYSA-N 2 2 275.396 2.646 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924984963 648083870 /nfs/dbraw/zinc/08/38/70/648083870.db2.gz ZGWZRFRCBASJFD-LBPRGKRZSA-N 2 2 278.371 2.832 20 30 CFEDLP CSc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1C#N ZINC000925774322 648317272 /nfs/dbraw/zinc/31/72/72/648317272.db2.gz ULXAHSQJIQPTLY-BXUZGUMPSA-N 2 2 275.421 2.510 20 30 CFEDLP N#CC1CCC(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000929803027 649126682 /nfs/dbraw/zinc/12/66/82/649126682.db2.gz AMQCPXINWTVASJ-UHFFFAOYSA-N 2 2 272.396 2.850 20 30 CFEDLP C=CC[C@H]1CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000934465475 649789374 /nfs/dbraw/zinc/78/93/74/649789374.db2.gz UQQHBVUBBXROKP-SFHVURJKSA-N 2 2 299.462 2.849 20 30 CFEDLP C=CC[C@H]1CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000934465475 649789377 /nfs/dbraw/zinc/78/93/77/649789377.db2.gz UQQHBVUBBXROKP-SFHVURJKSA-N 2 2 299.462 2.849 20 30 CFEDLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC000925728985 776341009 /nfs/dbraw/zinc/34/10/09/776341009.db2.gz MZFFSGOHSNAZSU-BKTGTZMESA-N 2 2 291.398 2.704 20 30 CFEDLP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000925757734 776448680 /nfs/dbraw/zinc/44/86/80/776448680.db2.gz JARFZNLRKJJRFB-LBPRGKRZSA-N 2 2 275.371 2.962 20 30 CFEDLP CC[N@H+](CCC#N)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145802 777451837 /nfs/dbraw/zinc/45/18/37/777451837.db2.gz AXBFOOHBDQUCJM-UHFFFAOYSA-N 2 2 263.360 2.623 20 30 CFEDLP CC[N@@H+](CCC#N)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232145802 777451839 /nfs/dbraw/zinc/45/18/39/777451839.db2.gz AXBFOOHBDQUCJM-UHFFFAOYSA-N 2 2 263.360 2.623 20 30 CFEDLP CC[N@H+](C)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235527573 778512160 /nfs/dbraw/zinc/51/21/60/778512160.db2.gz JQISHAWUVUBJJG-UHFFFAOYSA-N 2 2 271.408 2.669 20 30 CFEDLP CC[N@@H+](C)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235527573 778512163 /nfs/dbraw/zinc/51/21/63/778512163.db2.gz JQISHAWUVUBJJG-UHFFFAOYSA-N 2 2 271.408 2.669 20 30 CFEDLP CCCCCCCC[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927125 778612380 /nfs/dbraw/zinc/61/23/80/778612380.db2.gz CVQFZHDXUKKEEY-UHFFFAOYSA-N 2 2 268.445 2.800 20 30 CFEDLP CCCCCCCC[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927125 778612387 /nfs/dbraw/zinc/61/23/87/778612387.db2.gz CVQFZHDXUKKEEY-UHFFFAOYSA-N 2 2 268.445 2.800 20 30 CFEDLP C#CCCC[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236395870 778802199 /nfs/dbraw/zinc/80/21/99/778802199.db2.gz UQBUVHLUDQGTGN-KRWDZBQOSA-N 2 2 274.383 2.793 20 30 CFEDLP C#CCCC[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236395870 778802202 /nfs/dbraw/zinc/80/22/02/778802202.db2.gz UQBUVHLUDQGTGN-KRWDZBQOSA-N 2 2 274.383 2.793 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236471258 778840032 /nfs/dbraw/zinc/84/00/32/778840032.db2.gz ZERQXAYNAAQXCJ-QGZVFWFLSA-N 2 2 271.408 2.829 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236471258 778840042 /nfs/dbraw/zinc/84/00/42/778840042.db2.gz ZERQXAYNAAQXCJ-QGZVFWFLSA-N 2 2 271.408 2.829 20 30 CFEDLP Cc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C#N ZINC001237155871 779030306 /nfs/dbraw/zinc/03/03/06/779030306.db2.gz UGRIKPGSCTWMND-SFHVURJKSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1C#N ZINC001237155871 779030312 /nfs/dbraw/zinc/03/03/12/779030312.db2.gz UGRIKPGSCTWMND-SFHVURJKSA-N 2 2 283.419 2.973 20 30 CFEDLP N#Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001240161106 779981319 /nfs/dbraw/zinc/98/13/19/779981319.db2.gz XJZBXCFDXGLCNU-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001240161106 779981325 /nfs/dbraw/zinc/98/13/25/779981325.db2.gz XJZBXCFDXGLCNU-KRWDZBQOSA-N 2 2 295.361 2.897 20 30 CFEDLP C#Cc1cccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241920370 781182701 /nfs/dbraw/zinc/18/27/01/781182701.db2.gz XXEJCQULQRVMPF-GOSISDBHSA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1cccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001241920370 781182704 /nfs/dbraw/zinc/18/27/04/781182704.db2.gz XXEJCQULQRVMPF-GOSISDBHSA-N 2 2 276.383 2.868 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000594522108 349441171 /nfs/dbraw/zinc/44/11/71/349441171.db2.gz HSEUEVTXNHFHLQ-IRXDYDNUSA-N 2 2 287.382 2.804 20 30 CFEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000594522108 349441175 /nfs/dbraw/zinc/44/11/75/349441175.db2.gz HSEUEVTXNHFHLQ-IRXDYDNUSA-N 2 2 287.382 2.804 20 30 CFEDLP Cc1[nH+]cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1C ZINC000594951258 349526388 /nfs/dbraw/zinc/52/63/88/349526388.db2.gz PWFYEIVVUURQIM-UHFFFAOYSA-N 2 2 280.375 2.769 20 30 CFEDLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000595639492 349685411 /nfs/dbraw/zinc/68/54/11/349685411.db2.gz KBTLSWPIBVPFTF-UHFFFAOYSA-N 2 2 268.364 2.670 20 30 CFEDLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595896902 349764219 /nfs/dbraw/zinc/76/42/19/349764219.db2.gz ZFNOEEYXDKBNLV-GXFFZTMASA-N 2 2 297.324 2.889 20 30 CFEDLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595896902 349764223 /nfs/dbraw/zinc/76/42/23/349764223.db2.gz ZFNOEEYXDKBNLV-GXFFZTMASA-N 2 2 297.324 2.889 20 30 CFEDLP N#Cc1cccc2c1C[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000595896420 349764538 /nfs/dbraw/zinc/76/45/38/349764538.db2.gz NZBVXHFBCVCJFR-UHFFFAOYSA-N 2 2 289.382 2.720 20 30 CFEDLP N#Cc1cccc2c1C[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000595896420 349764542 /nfs/dbraw/zinc/76/45/42/349764542.db2.gz NZBVXHFBCVCJFR-UHFFFAOYSA-N 2 2 289.382 2.720 20 30 CFEDLP C[C@@]1(C#N)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000595840874 349751432 /nfs/dbraw/zinc/75/14/32/349751432.db2.gz QJAYFIDFDNDKPK-INIZCTEOSA-N 2 2 266.348 2.608 20 30 CFEDLP C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000595840874 349751435 /nfs/dbraw/zinc/75/14/35/349751435.db2.gz QJAYFIDFDNDKPK-INIZCTEOSA-N 2 2 266.348 2.608 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842536 349752913 /nfs/dbraw/zinc/75/29/13/349752913.db2.gz FKPWQDOYFQFQDK-KRWDZBQOSA-N 2 2 280.375 2.916 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595842536 349752916 /nfs/dbraw/zinc/75/29/16/349752916.db2.gz FKPWQDOYFQFQDK-KRWDZBQOSA-N 2 2 280.375 2.916 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295127309 199358879 /nfs/dbraw/zinc/35/88/79/199358879.db2.gz ZKTLGLPBAMLTJA-CQSZACIVSA-N 2 2 289.379 2.509 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295127309 199358881 /nfs/dbraw/zinc/35/88/81/199358881.db2.gz ZKTLGLPBAMLTJA-CQSZACIVSA-N 2 2 289.379 2.509 20 30 CFEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000328388057 348440760 /nfs/dbraw/zinc/44/07/60/348440760.db2.gz XBHGLYCDPVVPJX-CJNGLKHVSA-N 2 2 257.381 2.693 20 30 CFEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000328388057 348440761 /nfs/dbraw/zinc/44/07/61/348440761.db2.gz XBHGLYCDPVVPJX-CJNGLKHVSA-N 2 2 257.381 2.693 20 30 CFEDLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591580657 349032879 /nfs/dbraw/zinc/03/28/79/349032879.db2.gz ILJFCGAAKCVPRV-WBMJQRKESA-N 2 2 257.381 2.523 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccncc1C#N ZINC000592111618 349084307 /nfs/dbraw/zinc/08/43/07/349084307.db2.gz HAUYEMMPTYJVGV-UHFFFAOYSA-N 2 2 297.406 2.624 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccncc1C#N ZINC000592111618 349084309 /nfs/dbraw/zinc/08/43/09/349084309.db2.gz HAUYEMMPTYJVGV-UHFFFAOYSA-N 2 2 297.406 2.624 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109795574 186273009 /nfs/dbraw/zinc/27/30/09/186273009.db2.gz KXTXKNRWOXXWGF-UHFFFAOYSA-N 2 2 266.348 2.592 20 30 CFEDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602002848 350827547 /nfs/dbraw/zinc/82/75/47/350827547.db2.gz BQQOFOOGJUGZGH-CYBMUJFWSA-N 2 2 275.371 2.519 20 30 CFEDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602002848 350827552 /nfs/dbraw/zinc/82/75/52/350827552.db2.gz BQQOFOOGJUGZGH-CYBMUJFWSA-N 2 2 275.371 2.519 20 30 CFEDLP C[N@H+](CCC[NH2+]Cc1cccc(C#N)n1)C1CCCCC1 ZINC000602504033 350908261 /nfs/dbraw/zinc/90/82/61/350908261.db2.gz RBVOPGPQBDARPR-UHFFFAOYSA-N 2 2 286.423 2.697 20 30 CFEDLP C[N@@H+](CCC[NH2+]Cc1cccc(C#N)n1)C1CCCCC1 ZINC000602504033 350908264 /nfs/dbraw/zinc/90/82/64/350908264.db2.gz RBVOPGPQBDARPR-UHFFFAOYSA-N 2 2 286.423 2.697 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000602705505 350990132 /nfs/dbraw/zinc/99/01/32/350990132.db2.gz HDDDQKFPGQDHHP-HUUCEWRRSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000602705505 350990135 /nfs/dbraw/zinc/99/01/35/350990135.db2.gz HDDDQKFPGQDHHP-HUUCEWRRSA-N 2 2 293.455 2.548 20 30 CFEDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602980608 351082537 /nfs/dbraw/zinc/08/25/37/351082537.db2.gz SFVJHJSVHRZBKJ-WBVHZDCISA-N 2 2 280.375 2.996 20 30 CFEDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602980608 351082541 /nfs/dbraw/zinc/08/25/41/351082541.db2.gz SFVJHJSVHRZBKJ-WBVHZDCISA-N 2 2 280.375 2.996 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157573 351489685 /nfs/dbraw/zinc/48/96/85/351489685.db2.gz GKLHZBDXRJLDIW-INIZCTEOSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157573 351489688 /nfs/dbraw/zinc/48/96/88/351489688.db2.gz GKLHZBDXRJLDIW-INIZCTEOSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609157375 351489875 /nfs/dbraw/zinc/48/98/75/351489875.db2.gz GTBVBZRQBSDCKJ-MRXNPFEDSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609157375 351489878 /nfs/dbraw/zinc/48/98/78/351489878.db2.gz GTBVBZRQBSDCKJ-MRXNPFEDSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000610719595 351597418 /nfs/dbraw/zinc/59/74/18/351597418.db2.gz DRDDBVULFHGMSJ-OAHLLOKOSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1F ZINC000610719595 351597420 /nfs/dbraw/zinc/59/74/20/351597420.db2.gz DRDDBVULFHGMSJ-OAHLLOKOSA-N 2 2 284.338 2.731 20 30 CFEDLP Cc1cc(C)[nH+]c(NCc2c[nH+]c3ccc(C#N)cn23)c1 ZINC000122367057 187028839 /nfs/dbraw/zinc/02/88/39/187028839.db2.gz VSGGMXQUWWYRJV-UHFFFAOYSA-N 2 2 277.331 2.830 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000614403664 352090365 /nfs/dbraw/zinc/09/03/65/352090365.db2.gz PIJQZLSMQFDDFG-UHFFFAOYSA-N 2 2 280.375 2.969 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000614637276 352108549 /nfs/dbraw/zinc/10/85/49/352108549.db2.gz AAZIDTFQFAZHSQ-WBVHZDCISA-N 2 2 292.386 2.737 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622006208 353465341 /nfs/dbraw/zinc/46/53/41/353465341.db2.gz WJRZVPDNULNRHB-RDJZCZTQSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622006208 353465344 /nfs/dbraw/zinc/46/53/44/353465344.db2.gz WJRZVPDNULNRHB-RDJZCZTQSA-N 2 2 272.392 2.565 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628212136 354478736 /nfs/dbraw/zinc/47/87/36/354478736.db2.gz MBQPADLGMQLVHG-UHFFFAOYSA-N 2 2 296.418 2.760 20 30 CFEDLP C=CCOCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000679487092 540066166 /nfs/dbraw/zinc/06/61/66/540066166.db2.gz XEMLRMZBAQTLOL-QGZVFWFLSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CCOCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000679487092 540066170 /nfs/dbraw/zinc/06/61/70/540066170.db2.gz XEMLRMZBAQTLOL-QGZVFWFLSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000177907856 189078395 /nfs/dbraw/zinc/07/83/95/189078395.db2.gz PNZJJCVUULVSAE-AWEZNQCLSA-N 2 2 274.408 2.996 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000177913466 189078719 /nfs/dbraw/zinc/07/87/19/189078719.db2.gz CRNGVHXKQVPUFE-CYBMUJFWSA-N 2 2 288.391 2.716 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CC2 ZINC000423254662 238312396 /nfs/dbraw/zinc/31/23/96/238312396.db2.gz ZBEBSNSJIZNDLP-ROUUACIJSA-N 2 2 277.371 2.835 20 30 CFEDLP C=CCOCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000348026878 781940811 /nfs/dbraw/zinc/94/08/11/781940811.db2.gz AXNVOPFPMZTSKR-OAHLLOKOSA-N 2 2 277.412 2.675 20 30 CFEDLP C=CCOCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000348026878 781940822 /nfs/dbraw/zinc/94/08/22/781940822.db2.gz AXNVOPFPMZTSKR-OAHLLOKOSA-N 2 2 277.412 2.675 20 30 CFEDLP C=CC[N@@H+](CCc1ccco1)Cc1c[nH+]c(C)n1C ZINC000667947071 541348208 /nfs/dbraw/zinc/34/82/08/541348208.db2.gz FNQKOEIAABTWOP-UHFFFAOYSA-N 2 2 259.353 2.552 20 30 CFEDLP C=CC[N@H+](CCc1ccco1)Cc1c[nH+]c(C)n1C ZINC000667947071 541348210 /nfs/dbraw/zinc/34/82/10/541348210.db2.gz FNQKOEIAABTWOP-UHFFFAOYSA-N 2 2 259.353 2.552 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000054183655 373504586 /nfs/dbraw/zinc/50/45/86/373504586.db2.gz UIKVUNRPECIXST-AWEZNQCLSA-N 2 2 254.337 2.654 20 30 CFEDLP CCCCCCCCNC(=[NH2+])NCCCn1cc[nH+]c1 ZINC000264118457 383698053 /nfs/dbraw/zinc/69/80/53/383698053.db2.gz QNBNKMLLADIBNX-UHFFFAOYSA-N 2 2 279.432 2.538 20 30 CFEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)NC1CCCCC1 ZINC000264132789 383699285 /nfs/dbraw/zinc/69/92/85/383699285.db2.gz YOTULMMABFDYDN-UHFFFAOYSA-N 2 2 297.406 2.609 20 30 CFEDLP C#CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093644612 375280142 /nfs/dbraw/zinc/28/01/42/375280142.db2.gz MHKBPZWBRNLSIU-RDJZCZTQSA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093644612 375280150 /nfs/dbraw/zinc/28/01/50/375280150.db2.gz MHKBPZWBRNLSIU-RDJZCZTQSA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644612 375280155 /nfs/dbraw/zinc/28/01/55/375280155.db2.gz MHKBPZWBRNLSIU-RDJZCZTQSA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644612 375280161 /nfs/dbraw/zinc/28/01/61/375280161.db2.gz MHKBPZWBRNLSIU-RDJZCZTQSA-N 2 2 286.419 2.613 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093693773 375299715 /nfs/dbraw/zinc/29/97/15/375299715.db2.gz HARFAWJBHJYREB-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000093693773 375299721 /nfs/dbraw/zinc/29/97/21/375299721.db2.gz HARFAWJBHJYREB-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000157309942 378652712 /nfs/dbraw/zinc/65/27/12/378652712.db2.gz VBEJWOJWGCISQY-GOSISDBHSA-N 2 2 296.345 2.726 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000157309942 378652716 /nfs/dbraw/zinc/65/27/16/378652716.db2.gz VBEJWOJWGCISQY-GOSISDBHSA-N 2 2 296.345 2.726 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)c(F)c1 ZINC000335727688 379793460 /nfs/dbraw/zinc/79/34/60/379793460.db2.gz GSSAURHOBBIDLE-GWCFXTLKSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)c(F)c1 ZINC000335727688 379793466 /nfs/dbraw/zinc/79/34/66/379793466.db2.gz GSSAURHOBBIDLE-GWCFXTLKSA-N 2 2 284.338 2.629 20 30 CFEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn3ccccc3c2C#N)C1 ZINC000173900451 379797961 /nfs/dbraw/zinc/79/79/61/379797961.db2.gz ZHNFXFITJVHUNE-OAHLLOKOSA-N 2 2 296.418 2.585 20 30 CFEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn3ccccc3c2C#N)C1 ZINC000173900451 379797967 /nfs/dbraw/zinc/79/79/67/379797967.db2.gz ZHNFXFITJVHUNE-OAHLLOKOSA-N 2 2 296.418 2.585 20 30 CFEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000173900451 379797971 /nfs/dbraw/zinc/79/79/71/379797971.db2.gz ZHNFXFITJVHUNE-OAHLLOKOSA-N 2 2 296.418 2.585 20 30 CFEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000173900451 379797977 /nfs/dbraw/zinc/79/79/77/379797977.db2.gz ZHNFXFITJVHUNE-OAHLLOKOSA-N 2 2 296.418 2.585 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)o1 ZINC000174323110 379865899 /nfs/dbraw/zinc/86/58/99/379865899.db2.gz SFKARXVQXKDBNZ-UHFFFAOYSA-N 2 2 287.407 2.895 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2scnc2C)CC1 ZINC000174363234 379873026 /nfs/dbraw/zinc/87/30/26/379873026.db2.gz LELZHQNNLNJQPG-UHFFFAOYSA-N 2 2 265.426 2.582 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1F ZINC000336002513 380220885 /nfs/dbraw/zinc/22/08/85/380220885.db2.gz IJMRVWRYEGXKIG-JQWIXIFHSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1F ZINC000336002513 380220888 /nfs/dbraw/zinc/22/08/88/380220888.db2.gz IJMRVWRYEGXKIG-JQWIXIFHSA-N 2 2 284.338 2.629 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542491 380674336 /nfs/dbraw/zinc/67/43/36/380674336.db2.gz NZOHOJFBRVBXMH-OFQRWUPVSA-N 2 2 299.418 2.865 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000180542491 380674339 /nfs/dbraw/zinc/67/43/39/380674339.db2.gz NZOHOJFBRVBXMH-OFQRWUPVSA-N 2 2 299.418 2.865 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1F ZINC000358560196 380927727 /nfs/dbraw/zinc/92/77/27/380927727.db2.gz QGMJAXYQFJYGTA-CFVMTHIKSA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1F ZINC000358560196 380927733 /nfs/dbraw/zinc/92/77/33/380927733.db2.gz QGMJAXYQFJYGTA-CFVMTHIKSA-N 2 2 287.382 2.975 20 30 CFEDLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358553651 380919610 /nfs/dbraw/zinc/91/96/10/380919610.db2.gz JFIRWAQZBLPBMS-LBPRGKRZSA-N 2 2 275.371 2.832 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347122335 380954391 /nfs/dbraw/zinc/95/43/91/380954391.db2.gz MYPHLQYRLFTSMB-QGZVFWFLSA-N 2 2 279.343 2.607 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000347122335 380954400 /nfs/dbraw/zinc/95/44/00/380954400.db2.gz MYPHLQYRLFTSMB-QGZVFWFLSA-N 2 2 279.343 2.607 20 30 CFEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358569932 380936579 /nfs/dbraw/zinc/93/65/79/380936579.db2.gz MSPQBONMESBRQY-RYUDHWBXSA-N 2 2 272.327 2.633 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1[nH+]ccn1C)C(C)C ZINC000182371518 381075768 /nfs/dbraw/zinc/07/57/68/381075768.db2.gz MMLNETXDXWRDBE-HZPDHXFCSA-N 2 2 290.455 2.769 20 30 CFEDLP C[C@@H](C#N)C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000183822126 381325022 /nfs/dbraw/zinc/32/50/22/381325022.db2.gz VYCSTLDKFCFQEA-HNNXBMFYSA-N 2 2 273.424 2.894 20 30 CFEDLP C[C@@H](C#N)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000183822126 381325027 /nfs/dbraw/zinc/32/50/27/381325027.db2.gz VYCSTLDKFCFQEA-HNNXBMFYSA-N 2 2 273.424 2.894 20 30 CFEDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000348274572 381478702 /nfs/dbraw/zinc/47/87/02/381478702.db2.gz BFWXBWVTSDAFDL-ZLPCBKJTSA-N 2 2 285.435 2.930 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000414298427 381575916 /nfs/dbraw/zinc/57/59/16/381575916.db2.gz INJAIMNWTJOHPQ-DJIMGWMZSA-N 2 2 258.409 2.714 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000414298427 381575921 /nfs/dbraw/zinc/57/59/21/381575921.db2.gz INJAIMNWTJOHPQ-DJIMGWMZSA-N 2 2 258.409 2.714 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000291172098 381695224 /nfs/dbraw/zinc/69/52/24/381695224.db2.gz JWTDWCQKOPPGLJ-UHFFFAOYSA-N 2 2 292.398 2.964 20 30 CFEDLP C[N@@H+]1CC[C@]2(CC[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000292195901 381794817 /nfs/dbraw/zinc/79/48/17/381794817.db2.gz RVCBOAHAPAJHHV-KRWDZBQOSA-N 2 2 288.822 2.719 20 30 CFEDLP C[N@H+]1CC[C@]2(CC[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000292195901 381794822 /nfs/dbraw/zinc/79/48/22/381794822.db2.gz RVCBOAHAPAJHHV-KRWDZBQOSA-N 2 2 288.822 2.719 20 30 CFEDLP C[NH+]1CC[C@]2(CC[N@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000292195901 381794829 /nfs/dbraw/zinc/79/48/29/381794829.db2.gz RVCBOAHAPAJHHV-KRWDZBQOSA-N 2 2 288.822 2.719 20 30 CFEDLP C[NH+]1CC[C@]2(CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000292195901 381794834 /nfs/dbraw/zinc/79/48/34/381794834.db2.gz RVCBOAHAPAJHHV-KRWDZBQOSA-N 2 2 288.822 2.719 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@@H+]1CCCC[C@H]1C ZINC000361457935 381831873 /nfs/dbraw/zinc/83/18/73/381831873.db2.gz CNQCTROUJUZOEC-WCVJEAGWSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@H+]1CCCC[C@H]1C ZINC000361457935 381831878 /nfs/dbraw/zinc/83/18/78/381831878.db2.gz CNQCTROUJUZOEC-WCVJEAGWSA-N 2 2 263.429 2.921 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000373108243 381928129 /nfs/dbraw/zinc/92/81/29/381928129.db2.gz ASHYASXMHZCJOY-HNNXBMFYSA-N 2 2 298.365 2.810 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000373108243 381928134 /nfs/dbraw/zinc/92/81/34/381928134.db2.gz ASHYASXMHZCJOY-HNNXBMFYSA-N 2 2 298.365 2.810 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000374402061 382045185 /nfs/dbraw/zinc/04/51/85/382045185.db2.gz SBGQLMUYBZEPGV-NZSAHSFTSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000374402061 382045189 /nfs/dbraw/zinc/04/51/89/382045189.db2.gz SBGQLMUYBZEPGV-NZSAHSFTSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000374402061 382045190 /nfs/dbraw/zinc/04/51/90/382045190.db2.gz SBGQLMUYBZEPGV-NZSAHSFTSA-N 2 2 298.405 2.593 20 30 CFEDLP Fc1ccc(C#CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000374402061 382045193 /nfs/dbraw/zinc/04/51/93/382045193.db2.gz SBGQLMUYBZEPGV-NZSAHSFTSA-N 2 2 298.405 2.593 20 30 CFEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000344091143 382122496 /nfs/dbraw/zinc/12/24/96/382122496.db2.gz QUBHKIXEPCYMMU-DJIMGWMZSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000344091143 382122501 /nfs/dbraw/zinc/12/25/01/382122501.db2.gz QUBHKIXEPCYMMU-DJIMGWMZSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000344161616 382170930 /nfs/dbraw/zinc/17/09/30/382170930.db2.gz GULDYMMSIFRIQL-DCGLDWPTSA-N 2 2 269.392 2.692 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000344161616 382170935 /nfs/dbraw/zinc/17/09/35/382170935.db2.gz GULDYMMSIFRIQL-DCGLDWPTSA-N 2 2 269.392 2.692 20 30 CFEDLP C=C(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000352404616 382309990 /nfs/dbraw/zinc/30/99/90/382309990.db2.gz CKPJBBWJQKTAAI-WBVHZDCISA-N 2 2 273.424 2.848 20 30 CFEDLP C=C(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000352404616 382309993 /nfs/dbraw/zinc/30/99/93/382309993.db2.gz CKPJBBWJQKTAAI-WBVHZDCISA-N 2 2 273.424 2.848 20 30 CFEDLP C[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352840577 382478243 /nfs/dbraw/zinc/47/82/43/382478243.db2.gz NWLNWCILAUZPRT-UHFFFAOYSA-N 2 2 297.324 2.761 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000421326708 382510700 /nfs/dbraw/zinc/51/07/00/382510700.db2.gz OPMVAVLFSYZQJJ-UHFFFAOYSA-N 2 2 287.382 2.827 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)C1CC1 ZINC000367390980 382567781 /nfs/dbraw/zinc/56/77/81/382567781.db2.gz WPHJCAIQLQQRNN-BBWFWOEESA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCCC[C@H]2CO1)C1CC1 ZINC000367390980 382567783 /nfs/dbraw/zinc/56/77/83/382567783.db2.gz WPHJCAIQLQQRNN-BBWFWOEESA-N 2 2 278.440 2.574 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000442783095 382955310 /nfs/dbraw/zinc/95/53/10/382955310.db2.gz MVVNRAPPCCRHDM-CHWSQXEVSA-N 2 2 268.364 2.777 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000442783097 382955781 /nfs/dbraw/zinc/95/57/81/382955781.db2.gz MVVNRAPPCCRHDM-QWHCGFSZSA-N 2 2 268.364 2.777 20 30 CFEDLP C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245571417 383009350 /nfs/dbraw/zinc/00/93/50/383009350.db2.gz GRUXVKWDYAGGDN-CRAIPNDOSA-N 2 2 297.377 2.957 20 30 CFEDLP C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245571417 383009358 /nfs/dbraw/zinc/00/93/58/383009358.db2.gz GRUXVKWDYAGGDN-CRAIPNDOSA-N 2 2 297.377 2.957 20 30 CFEDLP C#CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246428801 383076234 /nfs/dbraw/zinc/07/62/34/383076234.db2.gz NTUWOTLNIKEYFT-SJLPKXTDSA-N 2 2 285.435 2.685 20 30 CFEDLP C#CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246428801 383076235 /nfs/dbraw/zinc/07/62/35/383076235.db2.gz NTUWOTLNIKEYFT-SJLPKXTDSA-N 2 2 285.435 2.685 20 30 CFEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449142341 383180791 /nfs/dbraw/zinc/18/07/91/383180791.db2.gz NPKVQXFZTQXMQJ-PCKAHOCUSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449142341 383180797 /nfs/dbraw/zinc/18/07/97/383180797.db2.gz NPKVQXFZTQXMQJ-PCKAHOCUSA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@@H](C#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563150378 383165166 /nfs/dbraw/zinc/16/51/66/383165166.db2.gz NBSTYHQXCKFXPQ-DOTOQJQBSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@@H](C#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563150378 383165172 /nfs/dbraw/zinc/16/51/72/383165172.db2.gz NBSTYHQXCKFXPQ-DOTOQJQBSA-N 2 2 283.419 2.933 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394578 383260774 /nfs/dbraw/zinc/26/07/74/383260774.db2.gz GQPKBPWOFKSLMP-CVEARBPZSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394578 383260775 /nfs/dbraw/zinc/26/07/75/383260775.db2.gz GQPKBPWOFKSLMP-CVEARBPZSA-N 2 2 268.445 2.558 20 30 CFEDLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000519857852 383242696 /nfs/dbraw/zinc/24/26/96/383242696.db2.gz BYTUITSRGCVQHL-ZBFHGGJFSA-N 2 2 275.440 2.923 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248739291 383286650 /nfs/dbraw/zinc/28/66/50/383286650.db2.gz DZEZJLCMXZEMNW-KLHDSHLOSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000248739291 383286654 /nfs/dbraw/zinc/28/66/54/383286654.db2.gz DZEZJLCMXZEMNW-KLHDSHLOSA-N 2 2 263.429 2.779 20 30 CFEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000449546949 383354306 /nfs/dbraw/zinc/35/43/06/383354306.db2.gz FVVSBISHDHSBFE-SJORKVTESA-N 2 2 283.375 2.696 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429518742 383539427 /nfs/dbraw/zinc/53/94/27/383539427.db2.gz MGHDHYWOJXKTBM-CQSZACIVSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@]1(C)CC[NH2+]C1 ZINC000261879570 383573881 /nfs/dbraw/zinc/57/38/81/383573881.db2.gz QOVOQZDWHZKVRX-MRXNPFEDSA-N 2 2 289.379 2.582 20 30 CFEDLP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@]1(C)CC[NH2+]C1 ZINC000261879570 383573888 /nfs/dbraw/zinc/57/38/88/383573888.db2.gz QOVOQZDWHZKVRX-MRXNPFEDSA-N 2 2 289.379 2.582 20 30 CFEDLP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000570320913 383593205 /nfs/dbraw/zinc/59/32/05/383593205.db2.gz MCOHKFHNXDAECP-LLVKDONJSA-N 2 2 265.788 2.862 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000570765898 383632783 /nfs/dbraw/zinc/63/27/83/383632783.db2.gz ONIJZKZITCTMAX-DLBZAZTESA-N 2 2 294.402 2.756 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265473912 383926850 /nfs/dbraw/zinc/92/68/50/383926850.db2.gz ISBHWLCLVNPYNO-UHFFFAOYSA-N 2 2 266.348 2.661 20 30 CFEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000437243762 383901727 /nfs/dbraw/zinc/90/17/27/383901727.db2.gz CHFNXQOAOGMFFM-IAGOWNOFSA-N 2 2 274.408 2.893 20 30 CFEDLP N#Cc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265524846 383938863 /nfs/dbraw/zinc/93/88/63/383938863.db2.gz UIGRXGZLLSYMTB-UHFFFAOYSA-N 2 2 266.348 2.661 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)ns2)CC1 ZINC000638523855 384720709 /nfs/dbraw/zinc/72/07/09/384720709.db2.gz HRQCPSYBZOUOSN-UHFFFAOYSA-N 2 2 265.426 2.582 20 30 CFEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000280698071 385118895 /nfs/dbraw/zinc/11/88/95/385118895.db2.gz SERQEADLVGZROI-RHSMWYFYSA-N 2 2 285.391 2.714 20 30 CFEDLP CC(C)(CCC#N)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271210624 385377552 /nfs/dbraw/zinc/37/75/52/385377552.db2.gz UYFSHTAXYBLQLE-UHFFFAOYSA-N 2 2 260.385 2.919 20 30 CFEDLP C=CCC[N@@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283999525 385522473 /nfs/dbraw/zinc/52/24/73/385522473.db2.gz GQRKOJJKXCTTNF-SFHVURJKSA-N 2 2 288.435 2.785 20 30 CFEDLP C=CCC[N@H+](C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000283999525 385522477 /nfs/dbraw/zinc/52/24/77/385522477.db2.gz GQRKOJJKXCTTNF-SFHVURJKSA-N 2 2 288.435 2.785 20 30 CFEDLP C=CCC[NH+](C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283999525 385522484 /nfs/dbraw/zinc/52/24/84/385522484.db2.gz GQRKOJJKXCTTNF-SFHVURJKSA-N 2 2 288.435 2.785 20 30 CFEDLP C=CCC[NH+](C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283999525 385522488 /nfs/dbraw/zinc/52/24/88/385522488.db2.gz GQRKOJJKXCTTNF-SFHVURJKSA-N 2 2 288.435 2.785 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000268786845 132066000 /nfs/dbraw/zinc/06/60/00/132066000.db2.gz BTDPFJANJUSTRH-GJZGRUSLSA-N 2 2 283.375 2.634 20 30 CFEDLP Cc1cc[nH+]c(N2CC[NH+](CC(C)(C)CCC#N)CC2)c1 ZINC000120927138 393943908 /nfs/dbraw/zinc/94/39/08/393943908.db2.gz MPEUPSIETZJTMA-UHFFFAOYSA-N 2 2 286.423 2.842 20 30 CFEDLP N#CCC[C@@H](C#N)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072170 394163857 /nfs/dbraw/zinc/16/38/57/394163857.db2.gz FIHJOJJXBYZGCF-KRWDZBQOSA-N 2 2 299.422 2.819 20 30 CFEDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1F ZINC000423507154 394285410 /nfs/dbraw/zinc/28/54/10/394285410.db2.gz PRQPCRMGOSVMAI-ZBEGNZNMSA-N 2 2 275.371 2.865 20 30 CFEDLP N#Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810008 394411468 /nfs/dbraw/zinc/41/14/68/394411468.db2.gz SZNIJQBXUKJKBF-QGZVFWFLSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810008 394411469 /nfs/dbraw/zinc/41/14/69/394411469.db2.gz SZNIJQBXUKJKBF-QGZVFWFLSA-N 2 2 269.392 2.665 20 30 CFEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+]C1 ZINC000647872643 395448338 /nfs/dbraw/zinc/44/83/38/395448338.db2.gz MTXNHXAHCVLKSR-LLVKDONJSA-N 2 2 270.829 2.999 20 30 CFEDLP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CC[NH2+]C1 ZINC000647872643 395448340 /nfs/dbraw/zinc/44/83/40/395448340.db2.gz MTXNHXAHCVLKSR-LLVKDONJSA-N 2 2 270.829 2.999 20 30 CFEDLP N#Cc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000366290444 156233358 /nfs/dbraw/zinc/23/33/58/156233358.db2.gz YZWORTRCDKWGNF-UHFFFAOYSA-N 2 2 269.392 2.665 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651700520 413579641 /nfs/dbraw/zinc/57/96/41/413579641.db2.gz JBGIAIFNVNZLOE-UHFFFAOYSA-N 2 2 271.364 2.568 20 30 CFEDLP C=CCC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccco1 ZINC000285758123 196389478 /nfs/dbraw/zinc/38/94/78/196389478.db2.gz RZXUYZCVKYNOHX-HNNXBMFYSA-N 2 2 280.412 2.845 20 30 CFEDLP C=CCC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccco1 ZINC000285758123 196389480 /nfs/dbraw/zinc/38/94/80/196389480.db2.gz RZXUYZCVKYNOHX-HNNXBMFYSA-N 2 2 280.412 2.845 20 30 CFEDLP C=C(Cl)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037488742 173230783 /nfs/dbraw/zinc/23/07/83/173230783.db2.gz ZNNZIWRBRCDAGE-UHFFFAOYSA-N 2 2 264.800 2.993 20 30 CFEDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000045135229 175312730 /nfs/dbraw/zinc/31/27/30/175312730.db2.gz DAKDYLWVRARVJH-AWEZNQCLSA-N 2 2 275.371 2.517 20 30 CFEDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000045135229 175312732 /nfs/dbraw/zinc/31/27/32/175312732.db2.gz DAKDYLWVRARVJH-AWEZNQCLSA-N 2 2 275.371 2.517 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036184 260206097 /nfs/dbraw/zinc/20/60/97/260206097.db2.gz BZHGYCYIXYLQIO-LXPRWKDFSA-N 2 2 283.419 2.684 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036184 260206099 /nfs/dbraw/zinc/20/60/99/260206099.db2.gz BZHGYCYIXYLQIO-LXPRWKDFSA-N 2 2 283.419 2.684 20 30 CFEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000364845351 262262289 /nfs/dbraw/zinc/26/22/89/262262289.db2.gz WDOZZDNSQNRFEZ-IUODEOHRSA-N 2 2 279.815 2.634 20 30 CFEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000364845354 262262572 /nfs/dbraw/zinc/26/25/72/262262572.db2.gz WDOZZDNSQNRFEZ-WFASDCNBSA-N 2 2 279.815 2.634 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000278281488 263046423 /nfs/dbraw/zinc/04/64/23/263046423.db2.gz PZMCKULWNGXNGJ-KZNAEPCWSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000278281488 263046424 /nfs/dbraw/zinc/04/64/24/263046424.db2.gz PZMCKULWNGXNGJ-KZNAEPCWSA-N 2 2 283.419 2.933 20 30 CFEDLP C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000341891568 263364014 /nfs/dbraw/zinc/36/40/14/263364014.db2.gz VGEYKMHGBKBPQZ-HUUCEWRRSA-N 2 2 285.391 2.708 20 30 CFEDLP C=CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000358048791 266407726 /nfs/dbraw/zinc/40/77/26/266407726.db2.gz QMXYNGMRLDDFBW-AWEZNQCLSA-N 2 2 259.397 2.600 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000368017124 267134959 /nfs/dbraw/zinc/13/49/59/267134959.db2.gz MFVWIBSCSCKFDT-UHFFFAOYSA-N 2 2 271.408 2.568 20 30 CFEDLP C=CCOCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000376843596 268023574 /nfs/dbraw/zinc/02/35/74/268023574.db2.gz GYHGXVLVSBHEML-NVXWUHKLSA-N 2 2 274.408 2.614 20 30 CFEDLP C=CCOCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000376843596 268023576 /nfs/dbraw/zinc/02/35/76/268023576.db2.gz GYHGXVLVSBHEML-NVXWUHKLSA-N 2 2 274.408 2.614 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[N@@H+]1C1CC1 ZINC000334735798 278024779 /nfs/dbraw/zinc/02/47/79/278024779.db2.gz PUQTYKADXWAFSW-RXFTYZNJSA-N 2 2 261.413 2.674 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[N@H+]1C1CC1 ZINC000334735798 278024780 /nfs/dbraw/zinc/02/47/80/278024780.db2.gz PUQTYKADXWAFSW-RXFTYZNJSA-N 2 2 261.413 2.674 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000352519506 289060383 /nfs/dbraw/zinc/06/03/83/289060383.db2.gz PBFYVZZURVRDEE-BZZMCLGOSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000352519506 289060385 /nfs/dbraw/zinc/06/03/85/289060385.db2.gz PBFYVZZURVRDEE-BZZMCLGOSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271915340 290059037 /nfs/dbraw/zinc/05/90/37/290059037.db2.gz BXYCOTBJCQNYPU-PRXAMGSTSA-N 2 2 287.382 2.831 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271915340 290059042 /nfs/dbraw/zinc/05/90/42/290059042.db2.gz BXYCOTBJCQNYPU-PRXAMGSTSA-N 2 2 287.382 2.831 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+](C)C ZINC000271086060 328194873 /nfs/dbraw/zinc/19/48/73/328194873.db2.gz UGXIFSIUBDPLDO-FAEJEUNOSA-N 2 2 285.435 2.930 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000414785889 328225447 /nfs/dbraw/zinc/22/54/47/328225447.db2.gz JZTXFQREEKUXLL-UHFFFAOYSA-N 2 2 290.407 2.573 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000414785889 328225449 /nfs/dbraw/zinc/22/54/49/328225449.db2.gz JZTXFQREEKUXLL-UHFFFAOYSA-N 2 2 290.407 2.573 20 30 CFEDLP C=C(C)COCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000180179637 329218257 /nfs/dbraw/zinc/21/82/57/329218257.db2.gz DHTYLOACPUHLHX-UHFFFAOYSA-N 2 2 294.361 2.586 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187178078 329354390 /nfs/dbraw/zinc/35/43/90/329354390.db2.gz LNOKFJZGHHRKBN-CYBMUJFWSA-N 2 2 268.470 2.758 20 30 CFEDLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)CC#N)n2c1 ZINC000459730443 329373865 /nfs/dbraw/zinc/37/38/65/329373865.db2.gz MGKDLQKVIAJOAZ-UHFFFAOYSA-N 2 2 256.353 2.672 20 30 CFEDLP C=CCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000062254757 329682242 /nfs/dbraw/zinc/68/22/42/329682242.db2.gz GIMQWZZNLZRAGI-OAHLLOKOSA-N 2 2 285.391 2.874 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000194032007 329685025 /nfs/dbraw/zinc/68/50/25/329685025.db2.gz PMJNWMODLKWEEJ-IXDOHACOSA-N 2 2 290.451 2.574 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422903586 330162272 /nfs/dbraw/zinc/16/22/72/330162272.db2.gz FRXMMYCDIZTPLV-GDBMZVCRSA-N 2 2 274.408 2.872 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422982754 330162669 /nfs/dbraw/zinc/16/26/69/330162669.db2.gz XUYZDLRDNNAKBB-WMZOPIPTSA-N 3 2 293.499 2.927 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000442782243 330782629 /nfs/dbraw/zinc/78/26/29/330782629.db2.gz KUDGMQRRWGJQIE-UKRRQHHQSA-N 2 2 266.348 2.654 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000442783098 330782775 /nfs/dbraw/zinc/78/27/75/330782775.db2.gz MVVNRAPPCCRHDM-STQMWFEESA-N 2 2 268.364 2.777 20 30 CFEDLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000459363628 331278431 /nfs/dbraw/zinc/27/84/31/331278431.db2.gz RQGIQOZDGSXAIL-ROUUACIJSA-N 2 2 294.402 2.734 20 30 CFEDLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000459363628 331278432 /nfs/dbraw/zinc/27/84/32/331278432.db2.gz RQGIQOZDGSXAIL-ROUUACIJSA-N 2 2 294.402 2.734 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(C)(C)C ZINC000491634142 332255521 /nfs/dbraw/zinc/25/55/21/332255521.db2.gz RPTUSAZDLRMIPY-KRWDZBQOSA-N 2 2 285.435 2.684 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000491807500 332360560 /nfs/dbraw/zinc/36/05/60/332360560.db2.gz CARXTAQEGYKRFD-KRWDZBQOSA-N 2 2 272.367 2.716 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000494413552 332472488 /nfs/dbraw/zinc/47/24/88/332472488.db2.gz NIHBYUGVKILMOQ-OAHLLOKOSA-N 2 2 283.375 2.553 20 30 CFEDLP C=CCCCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528731630 333453946 /nfs/dbraw/zinc/45/39/46/333453946.db2.gz ZLBIDXLTQKJMOM-UHFFFAOYSA-N 2 2 266.429 2.529 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177540 333526990 /nfs/dbraw/zinc/52/69/90/333526990.db2.gz JYUBBLSQZYKSRC-INIZCTEOSA-N 2 2 272.392 2.626 20 30 CFEDLP C[N@H+](CC#Cc1ccccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000135096524 334115199 /nfs/dbraw/zinc/11/51/99/334115199.db2.gz BARQLEGOSVKNGS-OAHLLOKOSA-N 2 2 290.838 2.965 20 30 CFEDLP C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000135096524 334115201 /nfs/dbraw/zinc/11/52/01/334115201.db2.gz BARQLEGOSVKNGS-OAHLLOKOSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000135096524 334115202 /nfs/dbraw/zinc/11/52/02/334115202.db2.gz BARQLEGOSVKNGS-OAHLLOKOSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000135096524 334115204 /nfs/dbraw/zinc/11/52/04/334115204.db2.gz BARQLEGOSVKNGS-OAHLLOKOSA-N 2 2 290.838 2.965 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cn3ccccc3n2)CC1 ZINC000548385177 334153637 /nfs/dbraw/zinc/15/36/37/334153637.db2.gz RFSQRIZDSKZRCC-CQSZACIVSA-N 2 2 284.407 2.635 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000249332467 334332202 /nfs/dbraw/zinc/33/22/02/334332202.db2.gz XJVKAJZBQIQWAB-GDBMZVCRSA-N 2 2 287.407 2.724 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000249332467 334332204 /nfs/dbraw/zinc/33/22/04/334332204.db2.gz XJVKAJZBQIQWAB-GDBMZVCRSA-N 2 2 287.407 2.724 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000340844742 521713786 /nfs/dbraw/zinc/71/37/86/521713786.db2.gz YWZZMMFXFTUQTA-CZUORRHYSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000340844742 521713789 /nfs/dbraw/zinc/71/37/89/521713789.db2.gz YWZZMMFXFTUQTA-CZUORRHYSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000340844742 521713790 /nfs/dbraw/zinc/71/37/90/521713790.db2.gz YWZZMMFXFTUQTA-CZUORRHYSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000340844742 521713792 /nfs/dbraw/zinc/71/37/92/521713792.db2.gz YWZZMMFXFTUQTA-CZUORRHYSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C#N)[C@@H](C)C1 ZINC000245434969 521720485 /nfs/dbraw/zinc/72/04/85/521720485.db2.gz QCIJVQBAFBPZLC-YOEHRIQHSA-N 2 2 271.408 2.720 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C#N)[C@@H](C)C1 ZINC000245434969 521720486 /nfs/dbraw/zinc/72/04/86/521720486.db2.gz QCIJVQBAFBPZLC-YOEHRIQHSA-N 2 2 271.408 2.720 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C#N)[C@@H](C)C1 ZINC000245434969 521720487 /nfs/dbraw/zinc/72/04/87/521720487.db2.gz QCIJVQBAFBPZLC-YOEHRIQHSA-N 2 2 271.408 2.720 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)[C@@H](C)C1 ZINC000245434969 521720488 /nfs/dbraw/zinc/72/04/88/521720488.db2.gz QCIJVQBAFBPZLC-YOEHRIQHSA-N 2 2 271.408 2.720 20 30 CFEDLP N#CCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000332391631 534716961 /nfs/dbraw/zinc/71/69/61/534716961.db2.gz ZSGKWKYDDVZZSJ-MRXNPFEDSA-N 2 2 280.375 2.855 20 30 CFEDLP N#CCc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000332391631 534716971 /nfs/dbraw/zinc/71/69/71/534716971.db2.gz ZSGKWKYDDVZZSJ-MRXNPFEDSA-N 2 2 280.375 2.855 20 30 CFEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)o1 ZINC000192923984 526622728 /nfs/dbraw/zinc/62/27/28/526622728.db2.gz PSWMCYPYHQFCQU-MRXNPFEDSA-N 2 2 295.386 2.763 20 30 CFEDLP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000192923984 526622731 /nfs/dbraw/zinc/62/27/31/526622731.db2.gz PSWMCYPYHQFCQU-MRXNPFEDSA-N 2 2 295.386 2.763 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000347067962 526866206 /nfs/dbraw/zinc/86/62/06/526866206.db2.gz NFHUWVGQGRTVIO-RHSMWYFYSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cc1 ZINC000347067962 526866211 /nfs/dbraw/zinc/86/62/11/526866211.db2.gz NFHUWVGQGRTVIO-RHSMWYFYSA-N 2 2 274.408 2.811 20 30 CFEDLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423270003 528517079 /nfs/dbraw/zinc/51/70/79/528517079.db2.gz WFWHGPUWFJBJQF-WCQYABFASA-N 2 2 263.360 2.721 20 30 CFEDLP C#CCCOc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000733325290 574221605 /nfs/dbraw/zinc/22/16/05/574221605.db2.gz HWOCSYPURIAMRH-UHFFFAOYSA-N 2 2 297.402 2.855 20 30 CFEDLP C(#Cc1ccccc1)C[NH2+]CCC[NH+]1CCCCC1 ZINC000892461249 618298044 /nfs/dbraw/zinc/29/80/44/618298044.db2.gz FHULCCZEXRZAFX-UHFFFAOYSA-N 2 2 256.393 2.504 20 30 CFEDLP CC(C)(C)[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000892631485 618664005 /nfs/dbraw/zinc/66/40/05/618664005.db2.gz GUBPWBJOMQCZTG-UHFFFAOYSA-N 2 2 270.420 2.891 20 30 CFEDLP CCC1([NH3+])CC[NH+]([C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000925757414 619067112 /nfs/dbraw/zinc/06/71/12/619067112.db2.gz GUMKFRPKGNJEIE-GFCCVEGCSA-N 2 2 275.371 2.962 20 30 CFEDLP CCC1([NH3+])CC[NH+]([C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000925757416 619067162 /nfs/dbraw/zinc/06/71/62/619067162.db2.gz GUMKFRPKGNJEIE-LBPRGKRZSA-N 2 2 275.371 2.962 20 30 CFEDLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000898307999 620370445 /nfs/dbraw/zinc/37/04/45/620370445.db2.gz LLESUWWRLRYLBY-UHFFFAOYSA-N 2 2 265.426 2.639 20 30 CFEDLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000898307999 620370446 /nfs/dbraw/zinc/37/04/46/620370446.db2.gz LLESUWWRLRYLBY-UHFFFAOYSA-N 2 2 265.426 2.639 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000926900668 620416813 /nfs/dbraw/zinc/41/68/13/620416813.db2.gz ONIBCJVNDDGXQL-GDBMZVCRSA-N 2 2 288.439 2.992 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C#N)c1O ZINC000924695914 620443457 /nfs/dbraw/zinc/44/34/57/620443457.db2.gz NQMIDBJXOBHFNG-ZOBUZTSGSA-N 2 2 299.418 2.931 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C#N)c1O ZINC000924695914 620443460 /nfs/dbraw/zinc/44/34/60/620443460.db2.gz NQMIDBJXOBHFNG-ZOBUZTSGSA-N 2 2 299.418 2.931 20 30 CFEDLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(OCC#N)cc1 ZINC000902483537 621110381 /nfs/dbraw/zinc/11/03/81/621110381.db2.gz RHPILWVCEYNAME-GOEBONIOSA-N 2 2 287.407 2.772 20 30 CFEDLP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc(C#N)ccn1 ZINC000902951284 621212551 /nfs/dbraw/zinc/21/25/51/621212551.db2.gz MTNRJBDTEKBGPT-CQSZACIVSA-N 2 2 286.423 2.726 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000903454943 621387941 /nfs/dbraw/zinc/38/79/41/621387941.db2.gz OOFBXJFDEYAIGG-FABXCBLPSA-N 2 2 271.408 2.651 20 30 CFEDLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903786427 621441792 /nfs/dbraw/zinc/44/17/92/621441792.db2.gz IOQAAQWVYGVTED-HNNXBMFYSA-N 2 2 263.429 2.924 20 30 CFEDLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903786427 621441794 /nfs/dbraw/zinc/44/17/94/621441794.db2.gz IOQAAQWVYGVTED-HNNXBMFYSA-N 2 2 263.429 2.924 20 30 CFEDLP C=CCCC[C@@H]([NH3+])c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000904706770 621627498 /nfs/dbraw/zinc/62/74/98/621627498.db2.gz BUVJAYKVUUBNMP-CYBMUJFWSA-N 2 2 283.335 2.740 20 30 CFEDLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000922262646 626255045 /nfs/dbraw/zinc/25/50/45/626255045.db2.gz WSMHCZRPJTWOBT-MRXNPFEDSA-N 2 2 271.408 2.749 20 30 CFEDLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000922262646 626255048 /nfs/dbraw/zinc/25/50/48/626255048.db2.gz WSMHCZRPJTWOBT-MRXNPFEDSA-N 2 2 271.408 2.749 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000774133704 627891622 /nfs/dbraw/zinc/89/16/22/627891622.db2.gz GZGLROAOSMSKMT-KFWWJZLASA-N 2 2 274.412 2.970 20 30 CFEDLP c1ccc2c(c1)NCCCC2=[NH+]NCC[NH+]1CCCCC1 ZINC000774373804 627919730 /nfs/dbraw/zinc/91/97/30/627919730.db2.gz QGGFROQKLGNAPU-UHFFFAOYSA-N 2 2 286.423 2.672 20 30 CFEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1cccc([N+](=O)[O-])c1 ZINC000776183910 628112572 /nfs/dbraw/zinc/11/25/72/628112572.db2.gz UCJGZUZESVSBSU-UHFFFAOYSA-N 2 2 285.307 2.502 20 30 CFEDLP C#CCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783028591 628670253 /nfs/dbraw/zinc/67/02/53/628670253.db2.gz AHIOZAOQCUPMFS-UHFFFAOYSA-N 2 2 259.397 2.789 20 30 CFEDLP c1cc2c3c(c1)C(=[NH+]NCC[NH+]1CCCCC1)CC[C@H]3CN2 ZINC000814809028 632130118 /nfs/dbraw/zinc/13/01/18/632130118.db2.gz XHVHGJSCUSMACV-AWEZNQCLSA-N 2 2 298.434 2.769 20 30 CFEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000817916639 632733535 /nfs/dbraw/zinc/73/35/35/632733535.db2.gz ADNNZBOLLYZADD-KMFMINBZSA-N 2 2 287.407 2.598 20 30 CFEDLP CN(C)c1ccc(/C=C\C=[NH+]NCCCn2cc[nH+]c2)cc1 ZINC000848416364 633254272 /nfs/dbraw/zinc/25/42/72/633254272.db2.gz IUZBGUQIBPUIQD-XFQKDXGMSA-N 2 2 297.406 2.628 20 30 CFEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285131 636176454 /nfs/dbraw/zinc/17/64/54/636176454.db2.gz GYWDABCGMPIKOH-SFHVURJKSA-N 2 2 268.404 2.774 20 30 CFEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285131 636176461 /nfs/dbraw/zinc/17/64/61/636176461.db2.gz GYWDABCGMPIKOH-SFHVURJKSA-N 2 2 268.404 2.774 20 30 CFEDLP C=CC[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000862439948 637378821 /nfs/dbraw/zinc/37/88/21/637378821.db2.gz CEIOHRFKJFXXRK-GFCCVEGCSA-N 2 2 265.426 2.603 20 30 CFEDLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866211395 638771367 /nfs/dbraw/zinc/77/13/67/638771367.db2.gz HGNZXSCNGQUAJH-CYBMUJFWSA-N 2 2 275.396 2.646 20 30 CFEDLP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866258985 638781997 /nfs/dbraw/zinc/78/19/97/638781997.db2.gz FAOQFMJZBJUCTH-ZDUSSCGKSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873045803 641994786 /nfs/dbraw/zinc/99/47/86/641994786.db2.gz HPIBOULPRVQVAW-UHFFFAOYSA-N 2 2 289.379 2.643 20 30 CFEDLP C=C(Br)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743269 644012905 /nfs/dbraw/zinc/01/29/05/644012905.db2.gz CTAZIVKYKYMGSF-UHFFFAOYSA-N 2 2 296.212 2.502 20 30 CFEDLP C=C(Br)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743269 644012908 /nfs/dbraw/zinc/01/29/08/644012908.db2.gz CTAZIVKYKYMGSF-UHFFFAOYSA-N 2 2 296.212 2.502 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CCCO1 ZINC000883176017 645641595 /nfs/dbraw/zinc/64/15/95/645641595.db2.gz UAYBZBPPVFRUTM-CVEARBPZSA-N 2 2 277.412 2.767 20 30 CFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCO1 ZINC000883188217 645650555 /nfs/dbraw/zinc/65/05/55/645650555.db2.gz GTFJHZBRESDLBM-IKGGRYGDSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCCO1 ZINC000883188217 645650556 /nfs/dbraw/zinc/65/05/56/645650556.db2.gz GTFJHZBRESDLBM-IKGGRYGDSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)[C@H]1CCCO1 ZINC000883194491 645655709 /nfs/dbraw/zinc/65/57/09/645655709.db2.gz XFAGGHCYKVODTI-OWCLPIDISA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)[C@H]1CCCO1 ZINC000883194491 645655715 /nfs/dbraw/zinc/65/57/15/645655715.db2.gz XFAGGHCYKVODTI-OWCLPIDISA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCC[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000883196985 645656457 /nfs/dbraw/zinc/65/64/57/645656457.db2.gz ZUPRMNXQNWBQEI-HOTGVXAUSA-N 2 2 289.423 2.987 20 30 CFEDLP C[NH+](C)CC1CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000136459937 646808074 /nfs/dbraw/zinc/80/80/74/646808074.db2.gz CDKJFWGFTRYBOB-GZTJUZNOSA-N 2 2 260.381 2.932 20 30 CFEDLP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1O ZINC000924708802 648031570 /nfs/dbraw/zinc/03/15/70/648031570.db2.gz ZUFDENYPVNKNDV-CJNGLKHVSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1O ZINC000924708802 648031575 /nfs/dbraw/zinc/03/15/75/648031575.db2.gz ZUFDENYPVNKNDV-CJNGLKHVSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccnn2C2CCC2)CC1 ZINC000924983079 648084078 /nfs/dbraw/zinc/08/40/78/648084078.db2.gz ATMNMBYYQUYYHQ-CQSZACIVSA-N 2 2 288.439 2.909 20 30 CFEDLP C=CCCSCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925710340 648290916 /nfs/dbraw/zinc/29/09/16/648290916.db2.gz WRBKSCUGQANMLV-UKRRQHHQSA-N 2 2 264.438 2.974 20 30 CFEDLP N#Cc1ccc(C2([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CCC2)cc1 ZINC000925711979 648291618 /nfs/dbraw/zinc/29/16/18/648291618.db2.gz GRFWUUSEODACEF-KVDVXYDOSA-N 2 2 293.414 2.523 20 30 CFEDLP CSc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1C#N ZINC000925773917 648317148 /nfs/dbraw/zinc/31/71/48/648317148.db2.gz QGNICHMDRIIPBQ-NSHDSACASA-N 2 2 298.415 2.939 20 30 CFEDLP CSc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1C#N ZINC000925774656 648317812 /nfs/dbraw/zinc/31/78/12/648317812.db2.gz XCWPINAAQNNAFX-SMDDNHRTSA-N 2 2 275.421 2.510 20 30 CFEDLP N#CC1CCC(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000929991575 649161124 /nfs/dbraw/zinc/16/11/24/649161124.db2.gz HEMWLWKWAUTLKS-NRXISQOPSA-N 2 2 272.396 2.919 20 30 CFEDLP N#CC1CCC(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000929991575 649161126 /nfs/dbraw/zinc/16/11/26/649161126.db2.gz HEMWLWKWAUTLKS-NRXISQOPSA-N 2 2 272.396 2.919 20 30 CFEDLP Cc1cc(C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)ccc1C#N ZINC000931315300 649405950 /nfs/dbraw/zinc/40/59/50/649405950.db2.gz WGRRWOFVZRDFBH-QZTJIDSGSA-N 2 2 283.419 2.640 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513264 649444841 /nfs/dbraw/zinc/44/48/41/649444841.db2.gz UAKWFVQKBXOJBR-GFCCVEGCSA-N 2 2 278.359 2.655 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513264 649444843 /nfs/dbraw/zinc/44/48/43/649444843.db2.gz UAKWFVQKBXOJBR-GFCCVEGCSA-N 2 2 278.359 2.655 20 30 CFEDLP C=CC[C@@H]1CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000934465471 649789346 /nfs/dbraw/zinc/78/93/46/649789346.db2.gz UQQHBVUBBXROKP-GOSISDBHSA-N 2 2 299.462 2.849 20 30 CFEDLP C=CC[C@@H]1CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000934465471 649789348 /nfs/dbraw/zinc/78/93/48/649789348.db2.gz UQQHBVUBBXROKP-GOSISDBHSA-N 2 2 299.462 2.849 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000328016923 775694928 /nfs/dbraw/zinc/69/49/28/775694928.db2.gz RLKXDMLRXFEEOK-UHFFFAOYSA-N 2 2 268.763 2.524 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000328016923 775694936 /nfs/dbraw/zinc/69/49/36/775694936.db2.gz RLKXDMLRXFEEOK-UHFFFAOYSA-N 2 2 268.763 2.524 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(Cl)c1F ZINC000328103242 777590839 /nfs/dbraw/zinc/59/08/39/777590839.db2.gz LWICVTXKAQKRDZ-UHFFFAOYSA-N 2 2 268.763 2.524 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(Cl)c1F ZINC000328103242 777590845 /nfs/dbraw/zinc/59/08/45/777590845.db2.gz LWICVTXKAQKRDZ-UHFFFAOYSA-N 2 2 268.763 2.524 20 30 CFEDLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(C#N)n1 ZINC001232925689 777722533 /nfs/dbraw/zinc/72/25/33/777722533.db2.gz KVKIIHKTYZJYGU-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1cccc(C#N)n1 ZINC001232925689 777722538 /nfs/dbraw/zinc/72/25/38/777722538.db2.gz KVKIIHKTYZJYGU-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC001232925689 777722543 /nfs/dbraw/zinc/72/25/43/777722543.db2.gz KVKIIHKTYZJYGU-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC001232925689 777722545 /nfs/dbraw/zinc/72/25/45/777722545.db2.gz KVKIIHKTYZJYGU-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)CC1 ZINC001235113315 778386452 /nfs/dbraw/zinc/38/64/52/778386452.db2.gz CFRDHHJZQFBOSS-QZTJIDSGSA-N 2 2 290.451 2.743 20 30 CFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]3(C[NH2+]CCO3)C2)CC1 ZINC001235113315 778386458 /nfs/dbraw/zinc/38/64/58/778386458.db2.gz CFRDHHJZQFBOSS-QZTJIDSGSA-N 2 2 290.451 2.743 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176723 778404552 /nfs/dbraw/zinc/40/45/52/778404552.db2.gz FHNVZNDRBFTYPR-SFHVURJKSA-N 2 2 283.419 2.975 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235176723 778404554 /nfs/dbraw/zinc/40/45/54/778404554.db2.gz FHNVZNDRBFTYPR-SFHVURJKSA-N 2 2 283.419 2.975 20 30 CFEDLP N#Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1F ZINC001235894500 778595187 /nfs/dbraw/zinc/59/51/87/778595187.db2.gz XVAHIPCPNAFJBC-UHFFFAOYSA-N 2 2 292.317 2.699 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)c1 ZINC001236007589 778651905 /nfs/dbraw/zinc/65/19/05/778651905.db2.gz OKAZAXXFEVQIPJ-INIZCTEOSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1cccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)c1 ZINC001236007589 778651910 /nfs/dbraw/zinc/65/19/10/778651910.db2.gz OKAZAXXFEVQIPJ-INIZCTEOSA-N 2 2 274.408 2.825 20 30 CFEDLP C#Cc1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236467187 778836105 /nfs/dbraw/zinc/83/61/05/778836105.db2.gz BBPRSWPUPZIHKJ-QGZVFWFLSA-N 2 2 256.393 2.630 20 30 CFEDLP C#Cc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236467187 778836112 /nfs/dbraw/zinc/83/61/12/778836112.db2.gz BBPRSWPUPZIHKJ-QGZVFWFLSA-N 2 2 256.393 2.630 20 30 CFEDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001236868517 778968893 /nfs/dbraw/zinc/96/88/93/778968893.db2.gz LAIVXUCRIFYKFE-KRWDZBQOSA-N 2 2 294.402 2.789 20 30 CFEDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001236868517 778968897 /nfs/dbraw/zinc/96/88/97/778968897.db2.gz LAIVXUCRIFYKFE-KRWDZBQOSA-N 2 2 294.402 2.789 20 30 CFEDLP Cc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C#N ZINC001237155870 779030076 /nfs/dbraw/zinc/03/00/76/779030076.db2.gz UGRIKPGSCTWMND-GOSISDBHSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1C#N ZINC001237155870 779030082 /nfs/dbraw/zinc/03/00/82/779030082.db2.gz UGRIKPGSCTWMND-GOSISDBHSA-N 2 2 283.419 2.973 20 30 CFEDLP N#Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccn1 ZINC001237469678 779114678 /nfs/dbraw/zinc/11/46/78/779114678.db2.gz DWCATLXJOURNFL-GOSISDBHSA-N 2 2 298.434 2.794 20 30 CFEDLP N#Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)ccn1 ZINC001237469678 779114682 /nfs/dbraw/zinc/11/46/82/779114682.db2.gz DWCATLXJOURNFL-GOSISDBHSA-N 2 2 298.434 2.794 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](SC)C2)CC1 ZINC000921702144 780182627 /nfs/dbraw/zinc/18/26/27/780182627.db2.gz HCVNCRGJYBHWQJ-LSDHHAIUSA-N 2 2 268.470 2.901 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000709979074 781324836 /nfs/dbraw/zinc/32/48/36/781324836.db2.gz FVAOKAXSHGGYTH-STQMWFEESA-N 2 2 251.418 2.777 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000709979074 781324842 /nfs/dbraw/zinc/32/48/42/781324842.db2.gz FVAOKAXSHGGYTH-STQMWFEESA-N 2 2 251.418 2.777 20 30 CFEDLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000822658689 781906351 /nfs/dbraw/zinc/90/63/51/781906351.db2.gz QGOSUIWHDLKOIV-DYVFJYSZSA-N 2 2 299.418 2.789 20 30 CFEDLP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1O ZINC000822658689 781906357 /nfs/dbraw/zinc/90/63/57/781906357.db2.gz QGOSUIWHDLKOIV-DYVFJYSZSA-N 2 2 299.418 2.789 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594921882 349508328 /nfs/dbraw/zinc/50/83/28/349508328.db2.gz VCPIQZCVDGXNDF-KRWDZBQOSA-N 2 2 283.419 2.816 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594921882 349508330 /nfs/dbraw/zinc/50/83/30/349508330.db2.gz VCPIQZCVDGXNDF-KRWDZBQOSA-N 2 2 283.419 2.816 20 30 CFEDLP C=CCCSCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000594960885 349530669 /nfs/dbraw/zinc/53/06/69/349530669.db2.gz ZLDURKRXMOSCQY-QWHCGFSZSA-N 2 2 254.443 2.511 20 30 CFEDLP C=CCCSCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000594960885 349530671 /nfs/dbraw/zinc/53/06/71/349530671.db2.gz ZLDURKRXMOSCQY-QWHCGFSZSA-N 2 2 254.443 2.511 20 30 CFEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCCC1 ZINC000594981741 349537937 /nfs/dbraw/zinc/53/79/37/349537937.db2.gz UBKXLOBUBWQMLU-GJZGRUSLSA-N 2 2 261.413 2.677 20 30 CFEDLP N#CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000594981741 349537941 /nfs/dbraw/zinc/53/79/41/349537941.db2.gz UBKXLOBUBWQMLU-GJZGRUSLSA-N 2 2 261.413 2.677 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH3+])CC2)c(C(F)(F)F)c1 ZINC000595892340 349762700 /nfs/dbraw/zinc/76/27/00/349762700.db2.gz MFTJPBKZUWZMMK-UHFFFAOYSA-N 2 2 283.297 2.500 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000295021846 199304588 /nfs/dbraw/zinc/30/45/88/199304588.db2.gz NTSQSKXVFUTHAV-MRXNPFEDSA-N 2 2 294.826 2.572 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000295021846 199304589 /nfs/dbraw/zinc/30/45/89/199304589.db2.gz NTSQSKXVFUTHAV-MRXNPFEDSA-N 2 2 294.826 2.572 20 30 CFEDLP C=CC[NH+](CC=C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000051088046 346500165 /nfs/dbraw/zinc/50/01/65/346500165.db2.gz XZPXEISHCVUBFB-MRXNPFEDSA-N 2 2 299.418 2.688 20 30 CFEDLP N#CCC1(C[NH+]2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000088259312 347500682 /nfs/dbraw/zinc/50/06/82/347500682.db2.gz FLVFBMHPFGNDHS-UHFFFAOYSA-N 2 2 261.413 2.631 20 30 CFEDLP C=CC[NH+]1CCC(Nc2cc[nH+]c(C(C)C)n2)CC1 ZINC000171939561 348084361 /nfs/dbraw/zinc/08/43/61/348084361.db2.gz XPPYJJNETWAQQO-UHFFFAOYSA-N 2 2 260.385 2.662 20 30 CFEDLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000591577884 349030620 /nfs/dbraw/zinc/03/06/20/349030620.db2.gz LQOBTTNYISIMGI-JKSUJKDBSA-N 2 2 257.381 2.741 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000593653100 349304683 /nfs/dbraw/zinc/30/46/83/349304683.db2.gz BTHRAZLIOXMUCP-UHFFFAOYSA-N 2 2 298.434 2.720 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000594493030 349429131 /nfs/dbraw/zinc/42/91/31/349429131.db2.gz DIVHCKKHTZOANB-UHFFFAOYSA-N 2 2 271.408 2.673 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)c(C#N)c1 ZINC000599307280 350411266 /nfs/dbraw/zinc/41/12/66/350411266.db2.gz PUSCVSKLMSYRJN-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)c(C#N)c1 ZINC000599307280 350411270 /nfs/dbraw/zinc/41/12/70/350411270.db2.gz PUSCVSKLMSYRJN-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)c(C#N)c1 ZINC000599307280 350411271 /nfs/dbraw/zinc/41/12/71/350411271.db2.gz PUSCVSKLMSYRJN-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)c(C#N)c1 ZINC000599307280 350411274 /nfs/dbraw/zinc/41/12/74/350411274.db2.gz PUSCVSKLMSYRJN-MSOLQXFVSA-N 2 2 283.419 2.925 20 30 CFEDLP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1C#N ZINC000599341590 350418601 /nfs/dbraw/zinc/41/86/01/350418601.db2.gz KZCLKJQYPKBZDO-UHFFFAOYSA-N 2 2 280.375 2.969 20 30 CFEDLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[NH2+]1 ZINC000600708848 350599279 /nfs/dbraw/zinc/59/92/79/350599279.db2.gz HOQAPXCTFKAXPV-VMGRFDJRSA-N 2 2 269.392 2.666 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000600708616 350599316 /nfs/dbraw/zinc/59/93/16/350599316.db2.gz DMTCLFKKMKFDIO-QZTJIDSGSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000600708616 350599319 /nfs/dbraw/zinc/59/93/19/350599319.db2.gz DMTCLFKKMKFDIO-QZTJIDSGSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1C#N ZINC000600712481 350600337 /nfs/dbraw/zinc/60/03/37/350600337.db2.gz XQGIPNRGDJCHRP-UHFFFAOYSA-N 2 2 269.392 2.570 20 30 CFEDLP Cc1ccc(C[N@H+]2CC3CCC2(C[NH3+])CC3)cc1C#N ZINC000600712481 350600339 /nfs/dbraw/zinc/60/03/39/350600339.db2.gz XQGIPNRGDJCHRP-UHFFFAOYSA-N 2 2 269.392 2.570 20 30 CFEDLP N#CC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602499182 350906427 /nfs/dbraw/zinc/90/64/27/350906427.db2.gz OCJRFIULDKNFEQ-VMWRSERWSA-N 2 2 283.419 2.933 20 30 CFEDLP N#CC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602499182 350906431 /nfs/dbraw/zinc/90/64/31/350906431.db2.gz OCJRFIULDKNFEQ-VMWRSERWSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000602704915 350989289 /nfs/dbraw/zinc/98/92/89/350989289.db2.gz HXKRCRAKXONAIM-CABCVRRESA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000602704915 350989294 /nfs/dbraw/zinc/98/92/94/350989294.db2.gz HXKRCRAKXONAIM-CABCVRRESA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390979 351680507 /nfs/dbraw/zinc/68/05/07/351680507.db2.gz YLKIAQOEEDXUAQ-CXAGYDPISA-N 2 2 280.375 2.810 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612160059 351781713 /nfs/dbraw/zinc/78/17/13/351781713.db2.gz FWQONRSROILMFB-HNNXBMFYSA-N 2 2 260.385 2.597 20 30 CFEDLP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612160059 351781715 /nfs/dbraw/zinc/78/17/15/351781715.db2.gz FWQONRSROILMFB-HNNXBMFYSA-N 2 2 260.385 2.597 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154131805 188124956 /nfs/dbraw/zinc/12/49/56/188124956.db2.gz PVCDRBCQWNNHCD-QGZVFWFLSA-N 2 2 288.410 2.841 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000154131805 188124957 /nfs/dbraw/zinc/12/49/57/188124957.db2.gz PVCDRBCQWNNHCD-QGZVFWFLSA-N 2 2 288.410 2.841 20 30 CFEDLP C[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000271836475 191356771 /nfs/dbraw/zinc/35/67/71/191356771.db2.gz FZDHMTFVHOXSOF-PBHICJAKSA-N 2 2 283.419 2.768 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000335033548 283192705 /nfs/dbraw/zinc/19/27/05/283192705.db2.gz RBDNYTYOQXCUFW-NVXWUHKLSA-N 2 2 269.392 2.667 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nccn2CC)CC1 ZINC000297731251 200270373 /nfs/dbraw/zinc/27/03/73/200270373.db2.gz NPHHIXVABUBYFU-AWEZNQCLSA-N 2 2 276.428 2.594 20 30 CFEDLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179240907 189179878 /nfs/dbraw/zinc/17/98/78/189179878.db2.gz OKUQYDVEBBNEEE-AWEZNQCLSA-N 2 2 268.364 2.838 20 30 CFEDLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000179240907 189179879 /nfs/dbraw/zinc/17/98/79/189179879.db2.gz OKUQYDVEBBNEEE-AWEZNQCLSA-N 2 2 268.364 2.838 20 30 CFEDLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000447515388 241379677 /nfs/dbraw/zinc/37/96/77/241379677.db2.gz BVZNSMFLZMFEJK-MRXNPFEDSA-N 2 2 257.381 2.695 20 30 CFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC1CCCC1)c1ccco1 ZINC000264124062 383698141 /nfs/dbraw/zinc/69/81/41/383698141.db2.gz VYBIXIRCBQRMIF-CQSZACIVSA-N 2 2 292.427 2.509 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678424216 542024409 /nfs/dbraw/zinc/02/44/09/542024409.db2.gz ZJOCJHNSDJQVMJ-HNNXBMFYSA-N 2 2 273.424 2.999 20 30 CFEDLP COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1C#N ZINC000134992302 378071842 /nfs/dbraw/zinc/07/18/42/378071842.db2.gz QNOCVLBPFMVIOQ-UHFFFAOYSA-N 2 2 299.418 2.627 20 30 CFEDLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C#N ZINC000135131906 378088005 /nfs/dbraw/zinc/08/80/05/378088005.db2.gz CJIFRZLWMVVSPS-UHFFFAOYSA-N 2 2 296.374 2.600 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000150775344 378271187 /nfs/dbraw/zinc/27/11/87/378271187.db2.gz COYJNMFWTKOJOU-OAHLLOKOSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000150775344 378271194 /nfs/dbraw/zinc/27/11/94/378271194.db2.gz COYJNMFWTKOJOU-OAHLLOKOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000154292891 378555921 /nfs/dbraw/zinc/55/59/21/378555921.db2.gz JGEUGOUGYQWXLO-RHSMWYFYSA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC000154292891 378555929 /nfs/dbraw/zinc/55/59/29/378555929.db2.gz JGEUGOUGYQWXLO-RHSMWYFYSA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1C ZINC000154292891 378555935 /nfs/dbraw/zinc/55/59/35/378555935.db2.gz JGEUGOUGYQWXLO-RHSMWYFYSA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1C ZINC000154292891 378555943 /nfs/dbraw/zinc/55/59/43/378555943.db2.gz JGEUGOUGYQWXLO-RHSMWYFYSA-N 2 2 274.383 2.592 20 30 CFEDLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CCO1 ZINC000331215052 378652282 /nfs/dbraw/zinc/65/22/82/378652282.db2.gz NRGSFBRTJZTENG-UKRRQHHQSA-N 2 2 290.411 2.560 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000171546620 379335407 /nfs/dbraw/zinc/33/54/07/379335407.db2.gz HJYLECCVTUJPMH-UHFFFAOYSA-N 2 2 284.403 2.702 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1C#N ZINC000335686328 379720956 /nfs/dbraw/zinc/72/09/56/379720956.db2.gz IAMLYBLEFQSQQO-DLBZAZTESA-N 2 2 269.392 2.583 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)ccc1C#N ZINC000335686328 379720960 /nfs/dbraw/zinc/72/09/60/379720960.db2.gz IAMLYBLEFQSQQO-DLBZAZTESA-N 2 2 269.392 2.583 20 30 CFEDLP Cc1cccn2c(C[NH2+]Cc3cccc(C#N)c3)c[nH+]c12 ZINC000174263692 379854195 /nfs/dbraw/zinc/85/41/95/379854195.db2.gz HYXJHEUFVOSCBA-UHFFFAOYSA-N 2 2 276.343 2.804 20 30 CFEDLP C[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177170142 380310618 /nfs/dbraw/zinc/31/06/18/380310618.db2.gz PGDPPRILJKFEDM-OAHLLOKOSA-N 2 2 276.811 2.575 20 30 CFEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177170142 380310622 /nfs/dbraw/zinc/31/06/22/380310622.db2.gz PGDPPRILJKFEDM-OAHLLOKOSA-N 2 2 276.811 2.575 20 30 CFEDLP COc1ccc(C#N)cc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000368615190 381085415 /nfs/dbraw/zinc/08/54/15/381085415.db2.gz TVZQLTFPVGUAGM-UHFFFAOYSA-N 2 2 299.418 2.627 20 30 CFEDLP COc1ccc(C#N)cc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000368615190 381085420 /nfs/dbraw/zinc/08/54/20/381085420.db2.gz TVZQLTFPVGUAGM-UHFFFAOYSA-N 2 2 299.418 2.627 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000361829386 381864822 /nfs/dbraw/zinc/86/48/22/381864822.db2.gz HZUWMLRSYLGPBX-GOSISDBHSA-N 2 2 278.355 2.586 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000361829386 381864825 /nfs/dbraw/zinc/86/48/25/381864825.db2.gz HZUWMLRSYLGPBX-GOSISDBHSA-N 2 2 278.355 2.586 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)ccc2F)CC1 ZINC000293595829 382189080 /nfs/dbraw/zinc/18/90/80/382189080.db2.gz OPUISGYJERXFFL-UHFFFAOYSA-N 2 2 292.398 2.964 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000352519507 382377698 /nfs/dbraw/zinc/37/76/98/382377698.db2.gz PBFYVZZURVRDEE-LAVFITLUSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000352519507 382377704 /nfs/dbraw/zinc/37/77/04/382377704.db2.gz PBFYVZZURVRDEE-LAVFITLUSA-N 2 2 283.419 2.931 20 30 CFEDLP C=CCOc1cccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c1 ZINC000358150587 382472149 /nfs/dbraw/zinc/47/21/49/382472149.db2.gz AWVIQFHKVTYEOZ-UHFFFAOYSA-N 2 2 286.419 2.993 20 30 CFEDLP C=CCOc1cccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c1 ZINC000358150587 382472154 /nfs/dbraw/zinc/47/21/54/382472154.db2.gz AWVIQFHKVTYEOZ-UHFFFAOYSA-N 2 2 286.419 2.993 20 30 CFEDLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352836454 382478065 /nfs/dbraw/zinc/47/80/65/382478065.db2.gz UNRTZYXZMRJYGG-CYBMUJFWSA-N 2 2 297.324 2.761 20 30 CFEDLP C=CCOc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352929302 382483577 /nfs/dbraw/zinc/48/35/77/382483577.db2.gz GCCVSMDGJXDUDJ-WBVHZDCISA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000352929302 382483580 /nfs/dbraw/zinc/48/35/80/382483580.db2.gz GCCVSMDGJXDUDJ-WBVHZDCISA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000352929302 382483584 /nfs/dbraw/zinc/48/35/84/382483584.db2.gz GCCVSMDGJXDUDJ-WBVHZDCISA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000352929302 382483587 /nfs/dbraw/zinc/48/35/87/382483587.db2.gz GCCVSMDGJXDUDJ-WBVHZDCISA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCCC[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917138 382499134 /nfs/dbraw/zinc/49/91/34/382499134.db2.gz QQIBZSWXSPXIDJ-UHFFFAOYSA-N 2 2 288.435 2.917 20 30 CFEDLP C=CCCC[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420917138 382499141 /nfs/dbraw/zinc/49/91/41/382499141.db2.gz QQIBZSWXSPXIDJ-UHFFFAOYSA-N 2 2 288.435 2.917 20 30 CFEDLP C=C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420917084 382499381 /nfs/dbraw/zinc/49/93/81/382499381.db2.gz QFYXSPQJDNORKX-UHFFFAOYSA-N 2 2 286.419 2.671 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCOC[C@H]1C)C(C)C ZINC000192469556 382709260 /nfs/dbraw/zinc/70/92/60/382709260.db2.gz HHXIMQRDVSSYFE-ZACQAIPSSA-N 2 2 280.456 2.700 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C[N@@H+]1C1CC1 ZINC000441343500 382907353 /nfs/dbraw/zinc/90/73/53/382907353.db2.gz BMNSEZBQILWSKI-VXGQWTEUSA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)C[N@H+]1C1CC1 ZINC000441343500 382907358 /nfs/dbraw/zinc/90/73/58/382907358.db2.gz BMNSEZBQILWSKI-VXGQWTEUSA-N 2 2 261.413 2.531 20 30 CFEDLP CC1(C)CCC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000446847409 382992186 /nfs/dbraw/zinc/99/21/86/382992186.db2.gz MGPLSLWPGUKYEI-LSDHHAIUSA-N 2 2 263.429 2.780 20 30 CFEDLP CC1(C)CCC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000446847409 382992189 /nfs/dbraw/zinc/99/21/89/382992189.db2.gz MGPLSLWPGUKYEI-LSDHHAIUSA-N 2 2 263.429 2.780 20 30 CFEDLP C=CCCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000448105720 383045199 /nfs/dbraw/zinc/04/51/99/383045199.db2.gz WDAZELOBEYBQRW-UHFFFAOYSA-N 2 2 280.335 2.589 20 30 CFEDLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000423359084 383062445 /nfs/dbraw/zinc/06/24/45/383062445.db2.gz KCHYFGCLKOBVCV-RCBQFDQVSA-N 2 2 257.381 2.597 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593967994 383123075 /nfs/dbraw/zinc/12/30/75/383123075.db2.gz FJKYFCPYWZYIDS-INIZCTEOSA-N 2 2 280.375 2.590 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593967994 383123078 /nfs/dbraw/zinc/12/30/78/383123078.db2.gz FJKYFCPYWZYIDS-INIZCTEOSA-N 2 2 280.375 2.590 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)CC[C@H]21 ZINC000247132954 383146063 /nfs/dbraw/zinc/14/60/63/383146063.db2.gz ATPNPHASHYYZFN-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)CC[C@H]21 ZINC000247132954 383146066 /nfs/dbraw/zinc/14/60/66/383146066.db2.gz ATPNPHASHYYZFN-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)CC[C@H]21 ZINC000247132954 383146070 /nfs/dbraw/zinc/14/60/70/383146070.db2.gz ATPNPHASHYYZFN-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CC[C@H]21 ZINC000247132954 383146073 /nfs/dbraw/zinc/14/60/73/383146073.db2.gz ATPNPHASHYYZFN-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000554889464 383147376 /nfs/dbraw/zinc/14/73/76/383147376.db2.gz OJQCTHMMIRFRPH-RHSMWYFYSA-N 2 2 280.375 2.713 20 30 CFEDLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(C#N)CC3)CC2)C1 ZINC000562391668 383157702 /nfs/dbraw/zinc/15/77/02/383157702.db2.gz PZWCEZHAEHYGPO-GOEBONIOSA-N 2 2 275.440 2.923 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449396214 383262243 /nfs/dbraw/zinc/26/22/43/383262243.db2.gz KSIYIWYZHXGXFN-JKSUJKDBSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449396214 383262247 /nfs/dbraw/zinc/26/22/47/383262247.db2.gz KSIYIWYZHXGXFN-JKSUJKDBSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000519550150 383224634 /nfs/dbraw/zinc/22/46/34/383224634.db2.gz KCDVSHFOXRMUCW-UHFFFAOYSA-N 2 2 269.392 2.908 20 30 CFEDLP Cc1cc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c(C#N)c[nH+]1 ZINC000425201712 383339502 /nfs/dbraw/zinc/33/95/02/383339502.db2.gz OCACKHFTNXFSHU-INIZCTEOSA-N 2 2 296.374 2.526 20 30 CFEDLP CC#CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000339761036 383307193 /nfs/dbraw/zinc/30/71/93/383307193.db2.gz ZONKKGFQNGHVNJ-UHFFFAOYSA-N 2 2 253.349 2.636 20 30 CFEDLP CC#CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000339761036 383307197 /nfs/dbraw/zinc/30/71/97/383307197.db2.gz ZONKKGFQNGHVNJ-UHFFFAOYSA-N 2 2 253.349 2.636 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000252451940 383408497 /nfs/dbraw/zinc/40/84/97/383408497.db2.gz DHJYTOVNINOWRK-IAGOWNOFSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000252451940 383408499 /nfs/dbraw/zinc/40/84/99/383408499.db2.gz DHJYTOVNINOWRK-IAGOWNOFSA-N 2 2 269.392 2.665 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1F ZINC000340907563 383499582 /nfs/dbraw/zinc/49/95/82/383499582.db2.gz PCESBCMBAYQDIM-MRXNPFEDSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1F ZINC000340907563 383499585 /nfs/dbraw/zinc/49/95/85/383499585.db2.gz PCESBCMBAYQDIM-MRXNPFEDSA-N 2 2 297.333 2.746 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000437243764 383901653 /nfs/dbraw/zinc/90/16/53/383901653.db2.gz CHFNXQOAOGMFFM-SJORKVTESA-N 2 2 274.408 2.893 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000437572602 383905590 /nfs/dbraw/zinc/90/55/90/383905590.db2.gz WFRVYRMACXFUNR-QAPCUYQASA-N 2 2 288.410 2.982 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000437572602 383905598 /nfs/dbraw/zinc/90/55/98/383905598.db2.gz WFRVYRMACXFUNR-QAPCUYQASA-N 2 2 288.410 2.982 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000437572602 383905604 /nfs/dbraw/zinc/90/56/04/383905604.db2.gz WFRVYRMACXFUNR-QAPCUYQASA-N 2 2 288.410 2.982 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000437572602 383905609 /nfs/dbraw/zinc/90/56/09/383905609.db2.gz WFRVYRMACXFUNR-QAPCUYQASA-N 2 2 288.410 2.982 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000277143001 384213239 /nfs/dbraw/zinc/21/32/39/384213239.db2.gz JFELWTPOJLQWDN-KRWDZBQOSA-N 2 2 274.383 2.593 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000277143001 384213243 /nfs/dbraw/zinc/21/32/43/384213243.db2.gz JFELWTPOJLQWDN-KRWDZBQOSA-N 2 2 274.383 2.593 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000280698076 385118943 /nfs/dbraw/zinc/11/89/43/385118943.db2.gz SERQEADLVGZROI-YOEHRIQHSA-N 2 2 285.391 2.714 20 30 CFEDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C#N ZINC000282294955 385275181 /nfs/dbraw/zinc/27/51/81/385275181.db2.gz LYZREYYJJQYXQF-HNNXBMFYSA-N 2 2 296.374 2.670 20 30 CFEDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C#N ZINC000282294955 385275186 /nfs/dbraw/zinc/27/51/86/385275186.db2.gz LYZREYYJJQYXQF-HNNXBMFYSA-N 2 2 296.374 2.670 20 30 CFEDLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271963241 385412405 /nfs/dbraw/zinc/41/24/05/385412405.db2.gz RTDQSEYYCCTRSP-HUBLWGQQSA-N 2 2 287.382 2.973 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccco1 ZINC000286239711 385576000 /nfs/dbraw/zinc/57/60/00/385576000.db2.gz TWUJNDBHTWFFAH-HZPDHXFCSA-N 2 2 292.423 2.845 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272593227 385570950 /nfs/dbraw/zinc/57/09/50/385570950.db2.gz IAZZNXSEGZCKSI-FUHWJXTLSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272593227 385570953 /nfs/dbraw/zinc/57/09/53/385570953.db2.gz IAZZNXSEGZCKSI-FUHWJXTLSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272593227 385570954 /nfs/dbraw/zinc/57/09/54/385570954.db2.gz IAZZNXSEGZCKSI-FUHWJXTLSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272593227 385570958 /nfs/dbraw/zinc/57/09/58/385570958.db2.gz IAZZNXSEGZCKSI-FUHWJXTLSA-N 2 2 286.419 2.777 20 30 CFEDLP CC(C)(C[NH2+]Cc1ccc(C#N)cc1F)C[NH+]1CCCC1 ZINC000276699628 386019417 /nfs/dbraw/zinc/01/94/17/386019417.db2.gz MXSLFFJSZAYVOM-UHFFFAOYSA-N 2 2 289.398 2.909 20 30 CFEDLP COc1cc(C[NH2+]CCCNc2cccc[nH+]2)ccc1C#N ZINC000281786131 195381131 /nfs/dbraw/zinc/38/11/31/195381131.db2.gz UCGBHNSDDMUCRS-UHFFFAOYSA-N 2 2 296.374 2.554 20 30 CFEDLP C#CCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181832114 393502447 /nfs/dbraw/zinc/50/24/47/393502447.db2.gz PKNQLQKKWKZPSD-UHFFFAOYSA-N 2 2 281.403 2.526 20 30 CFEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000183168380 393517109 /nfs/dbraw/zinc/51/71/09/393517109.db2.gz WDWVXHZZBWMTHR-UHFFFAOYSA-N 2 2 271.339 2.548 20 30 CFEDLP C#CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000183168380 393517115 /nfs/dbraw/zinc/51/71/15/393517115.db2.gz WDWVXHZZBWMTHR-UHFFFAOYSA-N 2 2 271.339 2.548 20 30 CFEDLP C=CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)C1CC1 ZINC000120779952 393940676 /nfs/dbraw/zinc/94/06/76/393940676.db2.gz GSDYWGOERAFAAT-HUUCEWRRSA-N 2 2 259.397 2.841 20 30 CFEDLP Cc1ccc(CCC[NH+]2CCC(F)(C#N)CC2)c[nH+]1 ZINC000348709366 393957739 /nfs/dbraw/zinc/95/77/39/393957739.db2.gz MJNCOVOZNSAFKU-UHFFFAOYSA-N 2 2 261.344 2.650 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349199039 393965156 /nfs/dbraw/zinc/96/51/56/393965156.db2.gz XNXJPTOMXGGJTG-INIZCTEOSA-N 2 2 297.402 2.974 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349199039 393965158 /nfs/dbraw/zinc/96/51/58/393965158.db2.gz XNXJPTOMXGGJTG-INIZCTEOSA-N 2 2 297.402 2.974 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000349276262 393966572 /nfs/dbraw/zinc/96/65/72/393966572.db2.gz JIIOFMVPCFWQKU-UHFFFAOYSA-N 2 2 272.392 2.531 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000349276262 393966574 /nfs/dbraw/zinc/96/65/74/393966574.db2.gz JIIOFMVPCFWQKU-UHFFFAOYSA-N 2 2 272.392 2.531 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000349308562 393967440 /nfs/dbraw/zinc/96/74/40/393967440.db2.gz AIBQVXPIMBTOBT-FGTMMUONSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000349308562 393967441 /nfs/dbraw/zinc/96/74/41/393967441.db2.gz AIBQVXPIMBTOBT-FGTMMUONSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129733655 394093337 /nfs/dbraw/zinc/09/33/37/394093337.db2.gz GRUXVKWDYAGGDN-YJBOKZPZSA-N 2 2 297.377 2.957 20 30 CFEDLP C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000129733655 394093340 /nfs/dbraw/zinc/09/33/40/394093340.db2.gz GRUXVKWDYAGGDN-YJBOKZPZSA-N 2 2 297.377 2.957 20 30 CFEDLP N#CCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072249 394164968 /nfs/dbraw/zinc/16/49/68/394164968.db2.gz GHHWWGPGZNBNPD-UHFFFAOYSA-N 2 2 260.385 2.679 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000295066352 394296698 /nfs/dbraw/zinc/29/66/98/394296698.db2.gz RPOAFRUHYYAFJU-INIZCTEOSA-N 2 2 290.382 2.584 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000295066352 394296703 /nfs/dbraw/zinc/29/67/03/394296703.db2.gz RPOAFRUHYYAFJU-INIZCTEOSA-N 2 2 290.382 2.584 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000285524267 542970800 /nfs/dbraw/zinc/97/08/00/542970800.db2.gz FBYIIROQLGXAIL-HUUCEWRRSA-N 2 2 276.428 2.759 20 30 CFEDLP C=CC[N@@H+](C)CCN(CC)Cc1cn2c(cccc2C)[nH+]1 ZINC000411638236 413234292 /nfs/dbraw/zinc/23/42/92/413234292.db2.gz HAUQYMQVZXSEOI-UHFFFAOYSA-N 2 2 286.423 2.582 20 30 CFEDLP C=CC[N@H+](C)CCN(CC)Cc1cn2c(cccc2C)[nH+]1 ZINC000411638236 413234303 /nfs/dbraw/zinc/23/43/03/413234303.db2.gz HAUQYMQVZXSEOI-UHFFFAOYSA-N 2 2 286.423 2.582 20 30 CFEDLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000358597716 155817465 /nfs/dbraw/zinc/81/74/65/155817465.db2.gz XDLAVFAZMIEWFE-GFCCVEGCSA-N 2 2 272.327 2.635 20 30 CFEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660481015 413346895 /nfs/dbraw/zinc/34/68/95/413346895.db2.gz XNLJKHUOJYVQRR-IRXDYDNUSA-N 2 2 280.456 2.918 20 30 CFEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660481015 413346907 /nfs/dbraw/zinc/34/69/07/413346907.db2.gz XNLJKHUOJYVQRR-IRXDYDNUSA-N 2 2 280.456 2.918 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1F ZINC000352889375 163262092 /nfs/dbraw/zinc/26/20/92/163262092.db2.gz YGEUDUWBKQEHQE-AWEZNQCLSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1F ZINC000352889375 163262094 /nfs/dbraw/zinc/26/20/94/163262094.db2.gz YGEUDUWBKQEHQE-AWEZNQCLSA-N 2 2 287.382 2.615 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657356274 413492513 /nfs/dbraw/zinc/49/25/13/413492513.db2.gz DIDMUWLMMFUNBX-UHFFFAOYSA-N 2 2 283.375 2.684 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000657869415 414016628 /nfs/dbraw/zinc/01/66/28/414016628.db2.gz WBGZVVXSHFJHBC-BRWVUGGUSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000657869415 414016636 /nfs/dbraw/zinc/01/66/36/414016636.db2.gz WBGZVVXSHFJHBC-BRWVUGGUSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000658025416 414111016 /nfs/dbraw/zinc/11/10/16/414111016.db2.gz BKOGPYJBAIIPEP-ZACQAIPSSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000658025416 414111022 /nfs/dbraw/zinc/11/10/22/414111022.db2.gz BKOGPYJBAIIPEP-ZACQAIPSSA-N 2 2 280.456 2.558 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331665797 228117625 /nfs/dbraw/zinc/11/76/25/228117625.db2.gz OJSWOHFIQORMIN-WMLDXEAASA-N 2 2 280.375 2.963 20 30 CFEDLP N#CCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081557025 260183047 /nfs/dbraw/zinc/18/30/47/260183047.db2.gz KANLJMQMGSSMLP-MRXNPFEDSA-N 2 2 257.381 2.544 20 30 CFEDLP N#CCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557025 260183045 /nfs/dbraw/zinc/18/30/45/260183045.db2.gz KANLJMQMGSSMLP-MRXNPFEDSA-N 2 2 257.381 2.544 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449128142 260233734 /nfs/dbraw/zinc/23/37/34/260233734.db2.gz YIMVHPLDABOMCT-UHFFFAOYSA-N 2 2 288.439 2.738 20 30 CFEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000449074243 261149680 /nfs/dbraw/zinc/14/96/80/261149680.db2.gz UHNQYIYSEQLSFD-RYTJFDOTSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000449074243 261149681 /nfs/dbraw/zinc/14/96/81/261149681.db2.gz UHNQYIYSEQLSFD-RYTJFDOTSA-N 2 2 293.455 2.548 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000185784329 262070567 /nfs/dbraw/zinc/07/05/67/262070567.db2.gz DLNCLGBWLCZRFZ-NVXWUHKLSA-N 2 2 298.434 2.718 20 30 CFEDLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185792114 262071613 /nfs/dbraw/zinc/07/16/13/262071613.db2.gz DPDOYQUWPUCASG-RCCFBDPRSA-N 2 2 285.435 2.831 20 30 CFEDLP C[N@H+](CC[NH2+][C@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000185794471 262071742 /nfs/dbraw/zinc/07/17/42/262071742.db2.gz KZNQWEXOFDLZRS-IRXDYDNUSA-N 2 2 271.408 2.790 20 30 CFEDLP C[N@@H+](CC[NH2+][C@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000185794471 262071744 /nfs/dbraw/zinc/07/17/44/262071744.db2.gz KZNQWEXOFDLZRS-IRXDYDNUSA-N 2 2 271.408 2.790 20 30 CFEDLP CC(C)(C#N)CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336821467 262397477 /nfs/dbraw/zinc/39/74/77/262397477.db2.gz HXTXBOJWOGHRKO-OAHLLOKOSA-N 2 2 273.380 2.865 20 30 CFEDLP CC(C)(C#N)CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336821467 262397479 /nfs/dbraw/zinc/39/74/79/262397479.db2.gz HXTXBOJWOGHRKO-OAHLLOKOSA-N 2 2 273.380 2.865 20 30 CFEDLP C=CCOc1ccc(C[NH2+]CC[NH2+]CC)cc1Cl ZINC000414835023 263056976 /nfs/dbraw/zinc/05/69/76/263056976.db2.gz UNSKSBRJBHJFNU-UHFFFAOYSA-N 2 2 268.788 2.604 20 30 CFEDLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C)(C#N)CC1 ZINC000290355984 263116337 /nfs/dbraw/zinc/11/63/37/263116337.db2.gz MHWSIWCHXNGSAS-UHFFFAOYSA-N 2 2 257.381 2.948 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@@H]1CC[C@H](C#N)C1 ZINC000293737000 263148023 /nfs/dbraw/zinc/14/80/23/263148023.db2.gz ZUESPKXVPDOTGG-LSDHHAIUSA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@@H]1CC[C@H](C#N)C1 ZINC000293737000 263148024 /nfs/dbraw/zinc/14/80/24/263148024.db2.gz ZUESPKXVPDOTGG-LSDHHAIUSA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1)Cc1ccco1 ZINC000293737000 263148025 /nfs/dbraw/zinc/14/80/25/263148025.db2.gz ZUESPKXVPDOTGG-LSDHHAIUSA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1)Cc1ccco1 ZINC000293737000 263148026 /nfs/dbraw/zinc/14/80/26/263148026.db2.gz ZUESPKXVPDOTGG-LSDHHAIUSA-N 2 2 275.396 2.726 20 30 CFEDLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295028608 263170991 /nfs/dbraw/zinc/17/09/91/263170991.db2.gz LKSIYORQMCHHQJ-HOCLYGCPSA-N 2 2 257.381 2.995 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC#N ZINC000299217064 263235522 /nfs/dbraw/zinc/23/55/22/263235522.db2.gz HKNSCJXTROIIQJ-QLPKVWCKSA-N 2 2 271.408 2.646 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC#N ZINC000299217064 263235523 /nfs/dbraw/zinc/23/55/23/263235523.db2.gz HKNSCJXTROIIQJ-QLPKVWCKSA-N 2 2 271.408 2.646 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000425359701 264141979 /nfs/dbraw/zinc/14/19/79/264141979.db2.gz WMWXGMGRUNECQU-HOTGVXAUSA-N 2 2 260.381 2.503 20 30 CFEDLP Cc1cc(C)c(NC(=O)N[C@@H](C)CC[NH+](C)C)c(C)[nH+]1 ZINC000331245850 264178867 /nfs/dbraw/zinc/17/88/67/264178867.db2.gz UIGQEPAACFUHJH-NSHDSACASA-N 2 2 278.400 2.673 20 30 CFEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCCCC#N)[nH+]1 ZINC000369899706 267275180 /nfs/dbraw/zinc/27/51/80/267275180.db2.gz JLBNBSLZPSVTSS-HNNXBMFYSA-N 2 2 272.396 2.960 20 30 CFEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCCCC#N)[nH+]1 ZINC000369899706 267275182 /nfs/dbraw/zinc/27/51/82/267275182.db2.gz JLBNBSLZPSVTSS-HNNXBMFYSA-N 2 2 272.396 2.960 20 30 CFEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370494684 267324104 /nfs/dbraw/zinc/32/41/04/267324104.db2.gz INKHZVCDUWFAPZ-HZPDHXFCSA-N 2 2 291.439 2.971 20 30 CFEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370494684 267324106 /nfs/dbraw/zinc/32/41/06/267324106.db2.gz INKHZVCDUWFAPZ-HZPDHXFCSA-N 2 2 291.439 2.971 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336222242 288131916 /nfs/dbraw/zinc/13/19/16/288131916.db2.gz OOKSFUMUDRYLAU-ZHGJTGPASA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336222242 288131918 /nfs/dbraw/zinc/13/19/18/288131918.db2.gz OOKSFUMUDRYLAU-ZHGJTGPASA-N 2 2 261.413 2.531 20 30 CFEDLP Cn1c[nH+]cc1CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000459376186 281259319 /nfs/dbraw/zinc/25/93/19/281259319.db2.gz RDNWQHMPSPHXIY-UHFFFAOYSA-N 2 2 292.386 2.624 20 30 CFEDLP Cn1c[nH+]cc1CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000459376186 281259321 /nfs/dbraw/zinc/25/93/21/281259321.db2.gz RDNWQHMPSPHXIY-UHFFFAOYSA-N 2 2 292.386 2.624 20 30 CFEDLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000560896796 282043939 /nfs/dbraw/zinc/04/39/39/282043939.db2.gz YLEYKCWNDNXCGO-SFHVURJKSA-N 2 2 294.402 2.892 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000217675830 290018753 /nfs/dbraw/zinc/01/87/53/290018753.db2.gz VXGBWLLABRCDHX-XKQJLSEDSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000217675830 290018754 /nfs/dbraw/zinc/01/87/54/290018754.db2.gz VXGBWLLABRCDHX-XKQJLSEDSA-N 2 2 269.392 2.836 20 30 CFEDLP N#C[C@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000185813063 327846183 /nfs/dbraw/zinc/84/61/83/327846183.db2.gz MUFDKYKRVNOWAN-GJZGRUSLSA-N 2 2 272.396 2.946 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000563363612 328058826 /nfs/dbraw/zinc/05/88/26/328058826.db2.gz ITNJEDRTWMQXCF-JKSUJKDBSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000563363612 328058828 /nfs/dbraw/zinc/05/88/28/328058828.db2.gz ITNJEDRTWMQXCF-JKSUJKDBSA-N 2 2 280.456 2.916 20 30 CFEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267391366 328177731 /nfs/dbraw/zinc/17/77/31/328177731.db2.gz DERUADAZWSAITG-CYBMUJFWSA-N 2 2 260.385 2.919 20 30 CFEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267391366 328177732 /nfs/dbraw/zinc/17/77/32/328177732.db2.gz DERUADAZWSAITG-CYBMUJFWSA-N 2 2 260.385 2.919 20 30 CFEDLP COc1ccc([C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000583375943 327333132 /nfs/dbraw/zinc/33/31/32/327333132.db2.gz AIPLOEXMRZAQGB-NZPGVSJUSA-N 2 2 299.418 2.770 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000177916373 329190450 /nfs/dbraw/zinc/19/04/50/329190450.db2.gz RGGPOAPRLUEENO-UHFFFAOYSA-N 3 2 293.499 2.879 20 30 CFEDLP N#C[C@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000185711978 329330411 /nfs/dbraw/zinc/33/04/11/329330411.db2.gz YFJGZUPXBMKWES-HOCLYGCPSA-N 2 2 284.407 2.722 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000185712015 329330444 /nfs/dbraw/zinc/33/04/44/329330444.db2.gz YFJGZUPXBMKWES-ZBFHGGJFSA-N 2 2 284.407 2.722 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187178061 329354358 /nfs/dbraw/zinc/35/43/58/329354358.db2.gz LNOKFJZGHHRKBN-ZDUSSCGKSA-N 2 2 268.470 2.758 20 30 CFEDLP CC(C)(C)NC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000262237775 330002249 /nfs/dbraw/zinc/00/22/49/330002249.db2.gz HMBDAUIGXQRTER-CYBMUJFWSA-N 2 2 292.427 2.509 20 30 CFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCCCCC1)c1cccs1 ZINC000262479113 330016399 /nfs/dbraw/zinc/01/63/99/330016399.db2.gz HSNFGWNFUAURCW-ZDUSSCGKSA-N 2 2 294.468 2.542 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000421836767 330092190 /nfs/dbraw/zinc/09/21/90/330092190.db2.gz RPZQSDIXYIROCC-MRXNPFEDSA-N 2 2 285.435 2.569 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379651095 330145732 /nfs/dbraw/zinc/14/57/32/330145732.db2.gz UBJIEQCYBJDZIG-HLLBOEOZSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379651095 330145734 /nfs/dbraw/zinc/14/57/34/330145734.db2.gz UBJIEQCYBJDZIG-HLLBOEOZSA-N 2 2 271.408 2.789 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])C(C)C ZINC000422828022 330156670 /nfs/dbraw/zinc/15/66/70/330156670.db2.gz FOVZMIPLNOIRHD-OKZBNKHCSA-N 3 2 293.499 2.935 20 30 CFEDLP COc1ccc([C@@H]([NH2+]CCCCC#N)[C@@H]2CCC[NH2+]2)cc1 ZINC000422975847 330164837 /nfs/dbraw/zinc/16/48/37/330164837.db2.gz UGBTURWAKWDQNE-DLBZAZTESA-N 2 2 287.407 2.772 20 30 CFEDLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450877921 331004239 /nfs/dbraw/zinc/00/42/39/331004239.db2.gz RJOGTPUMXXYDAI-KRWDZBQOSA-N 2 2 298.434 2.529 20 30 CFEDLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2(C#N)CCC2)C1 ZINC000450877921 331004240 /nfs/dbraw/zinc/00/42/40/331004240.db2.gz RJOGTPUMXXYDAI-KRWDZBQOSA-N 2 2 298.434 2.529 20 30 CFEDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC2(C#N)CCC2)C1 ZINC000450877921 331004241 /nfs/dbraw/zinc/00/42/41/331004241.db2.gz RJOGTPUMXXYDAI-KRWDZBQOSA-N 2 2 298.434 2.529 20 30 CFEDLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450877921 331004242 /nfs/dbraw/zinc/00/42/42/331004242.db2.gz RJOGTPUMXXYDAI-KRWDZBQOSA-N 2 2 298.434 2.529 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450881559 331004652 /nfs/dbraw/zinc/00/46/52/331004652.db2.gz YTVMGUXBLNZROZ-UHFFFAOYSA-N 2 2 285.391 2.927 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@@H]1C[C@@H]1C)C(C)C ZINC000488448457 332010234 /nfs/dbraw/zinc/01/02/34/332010234.db2.gz ZTMXOCDYMACHHZ-HRCADAONSA-N 2 2 250.430 2.931 20 30 CFEDLP C#CC[N@@H+](Cc1cc[nH+]c(N)c1)[C@@H]1CCc2ccccc21 ZINC000491636817 332257762 /nfs/dbraw/zinc/25/77/62/332257762.db2.gz UBVYOKINGAKHNC-QGZVFWFLSA-N 2 2 277.371 2.617 20 30 CFEDLP C#CC[N@H+](Cc1cc[nH+]c(N)c1)[C@@H]1CCc2ccccc21 ZINC000491636817 332257764 /nfs/dbraw/zinc/25/77/64/332257764.db2.gz UBVYOKINGAKHNC-QGZVFWFLSA-N 2 2 277.371 2.617 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1 ZINC000491807501 332360588 /nfs/dbraw/zinc/36/05/88/332360588.db2.gz CARXTAQEGYKRFD-QGZVFWFLSA-N 2 2 272.367 2.716 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530178006 333527078 /nfs/dbraw/zinc/52/70/78/333527078.db2.gz NHXRLUHZOVQGAZ-MRXNPFEDSA-N 2 2 272.392 2.626 20 30 CFEDLP C[C@H]1CCCC[N@@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000174271190 335151614 /nfs/dbraw/zinc/15/16/14/335151614.db2.gz QMTRQHFRWAXWES-AWEZNQCLSA-N 2 2 251.418 2.780 20 30 CFEDLP C[C@H]1CCCC[N@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000174271190 335151615 /nfs/dbraw/zinc/15/16/15/335151615.db2.gz QMTRQHFRWAXWES-AWEZNQCLSA-N 2 2 251.418 2.780 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]CC[NH+]1CCCCCC1 ZINC000135140256 334117528 /nfs/dbraw/zinc/11/75/28/334117528.db2.gz QBMMVZACWRVFBA-UHFFFAOYSA-N 2 2 251.418 2.782 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000135749707 334137893 /nfs/dbraw/zinc/13/78/93/334137893.db2.gz QEPOIEJWSHDHRR-DOTOQJQBSA-N 2 2 258.409 2.858 20 30 CFEDLP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000135749707 334137894 /nfs/dbraw/zinc/13/78/94/334137894.db2.gz QEPOIEJWSHDHRR-DOTOQJQBSA-N 2 2 258.409 2.858 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(CC#N)cc1 ZINC000343555967 335210120 /nfs/dbraw/zinc/21/01/20/335210120.db2.gz DNAUZVASYKGTOP-MSOLQXFVSA-N 2 2 283.419 2.811 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(CC#N)cc1 ZINC000343555967 335210122 /nfs/dbraw/zinc/21/01/22/335210122.db2.gz DNAUZVASYKGTOP-MSOLQXFVSA-N 2 2 283.419 2.811 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(CC#N)cc1 ZINC000343555967 335210123 /nfs/dbraw/zinc/21/01/23/335210123.db2.gz DNAUZVASYKGTOP-MSOLQXFVSA-N 2 2 283.419 2.811 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(CC#N)cc1 ZINC000343555967 335210125 /nfs/dbraw/zinc/21/01/25/335210125.db2.gz DNAUZVASYKGTOP-MSOLQXFVSA-N 2 2 283.419 2.811 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000581674660 336126579 /nfs/dbraw/zinc/12/65/79/336126579.db2.gz PTESWRKCQYAHTN-CQSZACIVSA-N 2 2 274.412 2.929 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000581674660 336126580 /nfs/dbraw/zinc/12/65/80/336126580.db2.gz PTESWRKCQYAHTN-CQSZACIVSA-N 2 2 274.412 2.929 20 30 CFEDLP N#Cc1ccc2cc[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)c2c1 ZINC001154984021 782136038 /nfs/dbraw/zinc/13/60/38/782136038.db2.gz DAZGGMPUVREUDT-UONOGXRCSA-N 2 2 266.348 2.788 20 30 CFEDLP C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)C[NH+](C)C ZINC000425938244 534126121 /nfs/dbraw/zinc/12/61/21/534126121.db2.gz VZSJVMLGZREIQE-VXGBXAGGSA-N 2 2 263.360 2.546 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)c3F)CC[C@@H]21 ZINC000223558864 523833874 /nfs/dbraw/zinc/83/38/74/523833874.db2.gz HZZKFWIBCBRMEO-ZBFHGGJFSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C#N)c3F)CC[C@@H]21 ZINC000223558864 523833877 /nfs/dbraw/zinc/83/38/77/523833877.db2.gz HZZKFWIBCBRMEO-ZBFHGGJFSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C#N)c3F)CC[C@@H]21 ZINC000223558864 523833879 /nfs/dbraw/zinc/83/38/79/523833879.db2.gz HZZKFWIBCBRMEO-ZBFHGGJFSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3F)CC[C@@H]21 ZINC000223558864 523833882 /nfs/dbraw/zinc/83/38/82/523833882.db2.gz HZZKFWIBCBRMEO-ZBFHGGJFSA-N 2 2 287.382 2.613 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000353249688 526890506 /nfs/dbraw/zinc/89/05/06/526890506.db2.gz NZQAHDDSHBQZRH-AWEZNQCLSA-N 2 2 283.375 2.622 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000353249688 526890509 /nfs/dbraw/zinc/89/05/09/526890509.db2.gz NZQAHDDSHBQZRH-AWEZNQCLSA-N 2 2 283.375 2.622 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344343443 526904958 /nfs/dbraw/zinc/90/49/58/526904958.db2.gz CNWQISDYZFJIEG-YOEHRIQHSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344343443 526904962 /nfs/dbraw/zinc/90/49/62/526904962.db2.gz CNWQISDYZFJIEG-YOEHRIQHSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2O)CC1 ZINC000756557406 574247195 /nfs/dbraw/zinc/24/71/95/574247195.db2.gz SLCQJSYPMUEBKR-LLVKDONJSA-N 2 2 296.361 2.971 20 30 CFEDLP N#CCc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926629341 618318290 /nfs/dbraw/zinc/31/82/90/618318290.db2.gz WLIZSVWTGORCEU-ROUUACIJSA-N 2 2 283.419 2.859 20 30 CFEDLP N#CCc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926629341 618318295 /nfs/dbraw/zinc/31/82/95/618318295.db2.gz WLIZSVWTGORCEU-ROUUACIJSA-N 2 2 283.419 2.859 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)C(C)C ZINC000892552366 618629894 /nfs/dbraw/zinc/62/98/94/618629894.db2.gz VQPCEVNUCOTAGN-SFHVURJKSA-N 3 2 293.499 2.616 20 30 CFEDLP CCCC[NH+]1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000892686724 618710013 /nfs/dbraw/zinc/71/00/13/618710013.db2.gz CZUAQGQKUOEULX-UHFFFAOYSA-N 2 2 270.420 2.892 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000926900671 620416798 /nfs/dbraw/zinc/41/67/98/620416798.db2.gz ONIBCJVNDDGXQL-ZBFHGGJFSA-N 2 2 288.439 2.992 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000924672182 620437491 /nfs/dbraw/zinc/43/74/91/620437491.db2.gz JOXUKLCBONWBEH-KBPBESRZSA-N 2 2 251.418 2.779 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000924672182 620437494 /nfs/dbraw/zinc/43/74/94/620437494.db2.gz JOXUKLCBONWBEH-KBPBESRZSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C#N)c1O ZINC000924695913 620443397 /nfs/dbraw/zinc/44/33/97/620443397.db2.gz NQMIDBJXOBHFNG-VYDXJSESSA-N 2 2 299.418 2.931 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C#N)c1O ZINC000924695913 620443399 /nfs/dbraw/zinc/44/33/99/620443399.db2.gz NQMIDBJXOBHFNG-VYDXJSESSA-N 2 2 299.418 2.931 20 30 CFEDLP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902808848 621176302 /nfs/dbraw/zinc/17/63/02/621176302.db2.gz GFQVMIDMBBSVMB-XJKSGUPXSA-N 2 2 288.439 2.970 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902795277 621179047 /nfs/dbraw/zinc/17/90/47/621179047.db2.gz CTZDDGNWBTZOJU-CQSZACIVSA-N 2 2 284.407 2.644 20 30 CFEDLP C[NH+](C)CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cccnc1 ZINC000903379171 621355317 /nfs/dbraw/zinc/35/53/17/621355317.db2.gz GBEDORVCPJKDFD-XIRDDKMYSA-N 2 2 286.423 2.746 20 30 CFEDLP N#CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925369933 626433362 /nfs/dbraw/zinc/43/33/62/626433362.db2.gz WZBLWXQUAFTIGU-ZWKOTPCHSA-N 2 2 299.418 2.695 20 30 CFEDLP N#CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925369933 626433364 /nfs/dbraw/zinc/43/33/64/626433364.db2.gz WZBLWXQUAFTIGU-ZWKOTPCHSA-N 2 2 299.418 2.695 20 30 CFEDLP CC(=[NH+]NCC[NH+]1CCCCC1)c1ccccc1N(C)C ZINC000769570967 627457259 /nfs/dbraw/zinc/45/72/59/627457259.db2.gz VMFYLOOWNRUZJV-UHFFFAOYSA-N 2 2 288.439 2.552 20 30 CFEDLP C#C[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000775575351 628041985 /nfs/dbraw/zinc/04/19/85/628041985.db2.gz WAKYZHLJGKCGTC-FHLIZLRMSA-N 2 2 295.386 2.704 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000799715028 630337711 /nfs/dbraw/zinc/33/77/11/630337711.db2.gz KQCDJRNGGOUBJB-RDBSUJKOSA-N 2 2 260.385 2.580 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846144297 632646110 /nfs/dbraw/zinc/64/61/10/632646110.db2.gz IQMRAJOWPGYXMW-CYBMUJFWSA-N 2 2 290.407 2.702 20 30 CFEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938137 632742785 /nfs/dbraw/zinc/74/27/85/632742785.db2.gz FDBAVLZWVBANOH-VBQJREDUSA-N 2 2 275.440 2.943 20 30 CFEDLP Nc1ccc2c(c1)C(=[NH+]NCCCn1cc[nH+]c1)CCCC2 ZINC000848416804 633254498 /nfs/dbraw/zinc/25/44/98/633254498.db2.gz ZDKNSDAROSRIFW-UHFFFAOYSA-N 2 2 297.406 2.576 20 30 CFEDLP C#CCCCOc1ccc[nH+]c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000853716398 635083399 /nfs/dbraw/zinc/08/33/99/635083399.db2.gz UFQAFJNUGYEUON-GASCZTMLSA-N 2 2 287.407 2.626 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866260652 638782814 /nfs/dbraw/zinc/78/28/14/638782814.db2.gz ICDBHCIVUOQUBE-IAGOWNOFSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866260654 638782893 /nfs/dbraw/zinc/78/28/93/638782893.db2.gz ICDBHCIVUOQUBE-SJORKVTESA-N 2 2 278.440 2.574 20 30 CFEDLP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(C#N)c1O ZINC000866370091 638807368 /nfs/dbraw/zinc/80/73/68/638807368.db2.gz SAPGXKNLIWBSFY-ZDUSSCGKSA-N 2 2 287.407 2.789 20 30 CFEDLP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C#N)c1O ZINC000866370091 638807371 /nfs/dbraw/zinc/80/73/71/638807371.db2.gz SAPGXKNLIWBSFY-ZDUSSCGKSA-N 2 2 287.407 2.789 20 30 CFEDLP C#CCCCCCC[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000877074236 643136444 /nfs/dbraw/zinc/13/64/44/643136444.db2.gz DEBWBUWGRMAECV-HNNXBMFYSA-N 2 2 268.470 2.597 20 30 CFEDLP C#C[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513505 643320221 /nfs/dbraw/zinc/32/02/21/643320221.db2.gz AKJLAVQBRNTZFR-LESCRADOSA-N 2 2 268.404 2.966 20 30 CFEDLP C#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513505 643320223 /nfs/dbraw/zinc/32/02/23/643320223.db2.gz AKJLAVQBRNTZFR-LESCRADOSA-N 2 2 268.404 2.966 20 30 CFEDLP C=CCC[C@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880572270 644770355 /nfs/dbraw/zinc/77/03/55/644770355.db2.gz ZMVAGNVJTSLYCK-IRXDYDNUSA-N 2 2 285.391 2.541 20 30 CFEDLP Cc1cccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000303890095 651006308 /nfs/dbraw/zinc/00/63/08/651006308.db2.gz PXFHSYKLMAXICN-UHFFFAOYSA-N 2 2 296.418 2.854 20 30 CFEDLP Cc1cccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccccc2)c1 ZINC000303890095 651006310 /nfs/dbraw/zinc/00/63/10/651006310.db2.gz PXFHSYKLMAXICN-UHFFFAOYSA-N 2 2 296.418 2.854 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000883131182 645618112 /nfs/dbraw/zinc/61/81/12/645618112.db2.gz LZFCELARVLZFSI-UHFFFAOYSA-N 2 2 299.443 2.855 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000883131182 645618114 /nfs/dbraw/zinc/61/81/14/645618114.db2.gz LZFCELARVLZFSI-UHFFFAOYSA-N 2 2 299.443 2.855 20 30 CFEDLP Cc1[nH]c(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)[nH+]c1C ZINC000886669599 647101009 /nfs/dbraw/zinc/10/10/09/647101009.db2.gz AZZOAPCKPMCPNZ-AWEZNQCLSA-N 2 2 285.395 2.650 20 30 CFEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000925011929 648088807 /nfs/dbraw/zinc/08/88/07/648088807.db2.gz SUQTZTUGCXFGNX-XJKSGUPXSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000925011929 648088809 /nfs/dbraw/zinc/08/88/09/648088809.db2.gz SUQTZTUGCXFGNX-XJKSGUPXSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925620725 648243798 /nfs/dbraw/zinc/24/37/98/648243798.db2.gz XWHCXLVKASUQIV-NVXWUHKLSA-N 2 2 299.418 2.742 20 30 CFEDLP N#Cc1ccc(C2([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CCC2)cc1 ZINC000925711982 648291308 /nfs/dbraw/zinc/29/13/08/648291308.db2.gz GRFWUUSEODACEF-XWJBARJFSA-N 2 2 293.414 2.523 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926427222 648484081 /nfs/dbraw/zinc/48/40/81/648484081.db2.gz XLKGMJKGZGHHFX-GJZGRUSLSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926427222 648484082 /nfs/dbraw/zinc/48/40/82/648484082.db2.gz XLKGMJKGZGHHFX-GJZGRUSLSA-N 2 2 263.429 2.923 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001233082167 777791214 /nfs/dbraw/zinc/79/12/14/777791214.db2.gz BMBJLHOBDLGSLM-UHFFFAOYSA-N 2 2 283.419 2.925 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001233082167 777791221 /nfs/dbraw/zinc/79/12/21/777791221.db2.gz BMBJLHOBDLGSLM-UHFFFAOYSA-N 2 2 283.419 2.925 20 30 CFEDLP COc1cc(C[NH+]2CCC(C#N)CC2)ccc1-n1cc[nH+]c1 ZINC001234032182 778146390 /nfs/dbraw/zinc/14/63/90/778146390.db2.gz HRBYCRIKOCFYBM-UHFFFAOYSA-N 2 2 296.374 2.616 20 30 CFEDLP N#CCCCC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001277948722 778504036 /nfs/dbraw/zinc/50/40/36/778504036.db2.gz NEHNZIAJEYHDMY-UHFFFAOYSA-N 2 2 261.413 2.631 20 30 CFEDLP N#CCCCC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001277948722 778504042 /nfs/dbraw/zinc/50/40/42/778504042.db2.gz NEHNZIAJEYHDMY-UHFFFAOYSA-N 2 2 261.413 2.631 20 30 CFEDLP CCCCCCCCC[N@H+]1C[C@H](C(=O)OC)C[C@H]([NH3+])C1 ZINC001235767900 778553362 /nfs/dbraw/zinc/55/33/62/778553362.db2.gz BFWYNTQNNDIRGU-CABCVRRESA-N 2 2 284.444 2.559 20 30 CFEDLP CCCCCCCCC[N@@H+]1C[C@H](C(=O)OC)C[C@H]([NH3+])C1 ZINC001235767900 778553363 /nfs/dbraw/zinc/55/33/63/778553363.db2.gz BFWYNTQNNDIRGU-CABCVRRESA-N 2 2 284.444 2.559 20 30 CFEDLP N#Cc1ccc2c(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237401537 779096274 /nfs/dbraw/zinc/09/62/74/779096274.db2.gz DKMNCCHZYXYITC-YOEHRIQHSA-N 2 2 294.402 2.613 20 30 CFEDLP N#Cc1ccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)c[nH]c2c1 ZINC001237401537 779096278 /nfs/dbraw/zinc/09/62/78/779096278.db2.gz DKMNCCHZYXYITC-YOEHRIQHSA-N 2 2 294.402 2.613 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2c[nH+]cn21 ZINC001238114295 779256873 /nfs/dbraw/zinc/25/68/73/779256873.db2.gz RBAFSPAWTXXIFT-UHFFFAOYSA-N 2 2 276.343 2.838 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c[nH+]cn21 ZINC001238114295 779256876 /nfs/dbraw/zinc/25/68/76/779256876.db2.gz RBAFSPAWTXXIFT-UHFFFAOYSA-N 2 2 276.343 2.838 20 30 CFEDLP C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000594584821 349452594 /nfs/dbraw/zinc/45/25/94/349452594.db2.gz LKOBNJDEAUNEIU-CJNGLKHVSA-N 2 2 269.392 2.668 20 30 CFEDLP N#Cc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000594738092 349485585 /nfs/dbraw/zinc/48/55/85/349485585.db2.gz GNXXDZBCXODRPD-RTBURBONSA-N 2 2 291.398 2.794 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000594962851 349532528 /nfs/dbraw/zinc/53/25/28/349532528.db2.gz LWSMIMOLANZMLG-OAHLLOKOSA-N 2 2 257.381 2.521 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000594962851 349532532 /nfs/dbraw/zinc/53/25/32/349532532.db2.gz LWSMIMOLANZMLG-OAHLLOKOSA-N 2 2 257.381 2.521 20 30 CFEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097193 349581416 /nfs/dbraw/zinc/58/14/16/349581416.db2.gz RWXCCUOIMRIOMM-RDJZCZTQSA-N 2 2 269.392 2.619 20 30 CFEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097193 349581418 /nfs/dbraw/zinc/58/14/18/349581418.db2.gz RWXCCUOIMRIOMM-RDJZCZTQSA-N 2 2 269.392 2.619 20 30 CFEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595373048 349611264 /nfs/dbraw/zinc/61/12/64/349611264.db2.gz KWYKTFMRCFVSNO-KRWDZBQOSA-N 2 2 271.408 2.563 20 30 CFEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595373048 349611268 /nfs/dbraw/zinc/61/12/68/349611268.db2.gz KWYKTFMRCFVSNO-KRWDZBQOSA-N 2 2 271.408 2.563 20 30 CFEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000595375325 349612048 /nfs/dbraw/zinc/61/20/48/349612048.db2.gz BXNBAYJEGHGTAK-MRXNPFEDSA-N 2 2 280.375 2.703 20 30 CFEDLP N#Cc1ccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000595375325 349612049 /nfs/dbraw/zinc/61/20/49/349612049.db2.gz BXNBAYJEGHGTAK-MRXNPFEDSA-N 2 2 280.375 2.703 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000294999628 199293232 /nfs/dbraw/zinc/29/32/32/199293232.db2.gz LYDKNVXEHNMQGO-ZDUSSCGKSA-N 2 2 291.464 2.628 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000294999628 199293234 /nfs/dbraw/zinc/29/32/34/199293234.db2.gz LYDKNVXEHNMQGO-ZDUSSCGKSA-N 2 2 291.464 2.628 20 30 CFEDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000045106360 346403403 /nfs/dbraw/zinc/40/34/03/346403403.db2.gz SSUFDRSSGZIPNB-CQSZACIVSA-N 2 2 268.364 2.886 20 30 CFEDLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000596654931 349969501 /nfs/dbraw/zinc/96/95/01/349969501.db2.gz NWYXAPJMSLZDTJ-MLGOLLRUSA-N 2 2 257.381 2.523 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000078052287 347226536 /nfs/dbraw/zinc/22/65/36/347226536.db2.gz IMBSNSZYTZAMMD-UHFFFAOYSA-N 2 2 283.379 2.687 20 30 CFEDLP N#Cc1csc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073685 347609371 /nfs/dbraw/zinc/60/93/71/347609371.db2.gz SXEPETUMHULLQO-LBPRGKRZSA-N 2 2 272.377 2.722 20 30 CFEDLP N#Cc1csc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073685 347609373 /nfs/dbraw/zinc/60/93/73/347609373.db2.gz SXEPETUMHULLQO-LBPRGKRZSA-N 2 2 272.377 2.722 20 30 CFEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591578271 349031738 /nfs/dbraw/zinc/03/17/38/349031738.db2.gz KACPDZOGBLKTLK-DQYPLSBCSA-N 2 2 269.392 2.523 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591578096 349032281 /nfs/dbraw/zinc/03/22/81/349032281.db2.gz YGSYCYOBNFDZBT-NVXWUHKLSA-N 2 2 269.392 2.667 20 30 CFEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077690 350024740 /nfs/dbraw/zinc/02/47/40/350024740.db2.gz WVVINCOCRTXBGB-WMZOPIPTSA-N 2 2 295.430 2.768 20 30 CFEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077690 350024745 /nfs/dbraw/zinc/02/47/45/350024745.db2.gz WVVINCOCRTXBGB-WMZOPIPTSA-N 2 2 295.430 2.768 20 30 CFEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077690 350024747 /nfs/dbraw/zinc/02/47/47/350024747.db2.gz WVVINCOCRTXBGB-WMZOPIPTSA-N 2 2 295.430 2.768 20 30 CFEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077690 350024751 /nfs/dbraw/zinc/02/47/51/350024751.db2.gz WVVINCOCRTXBGB-WMZOPIPTSA-N 2 2 295.430 2.768 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090721404 180032383 /nfs/dbraw/zinc/03/23/83/180032383.db2.gz STKIWLIQDKYINU-GDBMZVCRSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721404 180032385 /nfs/dbraw/zinc/03/23/85/180032385.db2.gz STKIWLIQDKYINU-GDBMZVCRSA-N 2 2 274.408 2.824 20 30 CFEDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602016296 350832347 /nfs/dbraw/zinc/83/23/47/350832347.db2.gz BMAAKEMZQGUBEA-ZDUSSCGKSA-N 2 2 275.371 2.519 20 30 CFEDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602016296 350832351 /nfs/dbraw/zinc/83/23/51/350832351.db2.gz BMAAKEMZQGUBEA-ZDUSSCGKSA-N 2 2 275.371 2.519 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000602514297 350910921 /nfs/dbraw/zinc/91/09/21/350910921.db2.gz JAPODNVTNFSFHV-QRNKSROTSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000602514297 350910926 /nfs/dbraw/zinc/91/09/26/350910926.db2.gz JAPODNVTNFSFHV-QRNKSROTSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCC(C)CC1 ZINC000602524669 350913827 /nfs/dbraw/zinc/91/38/27/350913827.db2.gz OPJGRJLWTQWBEN-QQFBHYJXSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000602527140 350915287 /nfs/dbraw/zinc/91/52/87/350915287.db2.gz ZSQFJNJTADLOHC-HUUCEWRRSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000602589026 350937454 /nfs/dbraw/zinc/93/74/54/350937454.db2.gz XUZJHOKKKLELAP-ZBFHGGJFSA-N 2 2 259.397 2.819 20 30 CFEDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602643115 350959200 /nfs/dbraw/zinc/95/92/00/350959200.db2.gz IJMBKLWVBVZODO-YMAMQOFZSA-N 2 2 263.429 2.779 20 30 CFEDLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602643115 350959202 /nfs/dbraw/zinc/95/92/02/350959202.db2.gz IJMBKLWVBVZODO-YMAMQOFZSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](CCC#N)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000602653438 350961547 /nfs/dbraw/zinc/96/15/47/350961547.db2.gz HNJFFIBUBSJTID-HNNXBMFYSA-N 2 2 277.412 2.973 20 30 CFEDLP C[C@@H](CCC#N)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000602653438 350961550 /nfs/dbraw/zinc/96/15/50/350961550.db2.gz HNJFFIBUBSJTID-HNNXBMFYSA-N 2 2 277.412 2.973 20 30 CFEDLP C[C@@H](CCC#N)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000602653438 350961553 /nfs/dbraw/zinc/96/15/53/350961553.db2.gz HNJFFIBUBSJTID-HNNXBMFYSA-N 2 2 277.412 2.973 20 30 CFEDLP C[C@@H](CCC#N)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000602653438 350961556 /nfs/dbraw/zinc/96/15/56/350961556.db2.gz HNJFFIBUBSJTID-HNNXBMFYSA-N 2 2 277.412 2.973 20 30 CFEDLP C[C@H](CCC#N)C[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000602714700 350996044 /nfs/dbraw/zinc/99/60/44/350996044.db2.gz BZVPKWUPBCDFGQ-HUUCEWRRSA-N 2 2 251.418 2.636 20 30 CFEDLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602723722 351000949 /nfs/dbraw/zinc/00/09/49/351000949.db2.gz IJTMXNZNLYMOJK-INIZCTEOSA-N 2 2 293.455 2.503 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609157633 351489659 /nfs/dbraw/zinc/48/96/59/351489659.db2.gz LIHLSCKXMNJDAU-HNNXBMFYSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609157633 351489663 /nfs/dbraw/zinc/48/96/63/351489663.db2.gz LIHLSCKXMNJDAU-HNNXBMFYSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157574 351489864 /nfs/dbraw/zinc/48/98/64/351489864.db2.gz GKLHZBDXRJLDIW-MRXNPFEDSA-N 2 2 266.348 2.592 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157574 351489866 /nfs/dbraw/zinc/48/98/66/351489866.db2.gz GKLHZBDXRJLDIW-MRXNPFEDSA-N 2 2 266.348 2.592 20 30 CFEDLP C[C@]1(C#N)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000612165455 351783719 /nfs/dbraw/zinc/78/37/19/351783719.db2.gz MSPXAVFQJGRNII-QGZVFWFLSA-N 2 2 280.375 2.998 20 30 CFEDLP C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000612165455 351783721 /nfs/dbraw/zinc/78/37/21/351783721.db2.gz MSPXAVFQJGRNII-QGZVFWFLSA-N 2 2 280.375 2.998 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(CC)c2)CC1 ZINC000153005425 188058941 /nfs/dbraw/zinc/05/89/41/188058941.db2.gz QQFRBUOOBPLFAI-AWEZNQCLSA-N 2 2 276.428 2.594 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622005807 353465444 /nfs/dbraw/zinc/46/54/44/353465444.db2.gz MRWMACVMPLPKLF-DOTOQJQBSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c1 ZINC000622005807 353465447 /nfs/dbraw/zinc/46/54/47/353465447.db2.gz MRWMACVMPLPKLF-DOTOQJQBSA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622005810 353465458 /nfs/dbraw/zinc/46/54/58/353465458.db2.gz MRWMACVMPLPKLF-WBVHZDCISA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c1 ZINC000622005810 353465461 /nfs/dbraw/zinc/46/54/61/353465461.db2.gz MRWMACVMPLPKLF-WBVHZDCISA-N 2 2 272.392 2.565 20 30 CFEDLP C=CCCCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626089199 354189737 /nfs/dbraw/zinc/18/97/37/354189737.db2.gz FPXBAPGOAPEQBY-UHFFFAOYSA-N 2 2 280.456 2.920 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297595143 200237549 /nfs/dbraw/zinc/23/75/49/200237549.db2.gz HTVFUXMBINXARQ-HNNXBMFYSA-N 2 2 272.392 2.620 20 30 CFEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177356431 189045298 /nfs/dbraw/zinc/04/52/98/189045298.db2.gz KYWNNBUOTMIXJZ-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177356431 189045299 /nfs/dbraw/zinc/04/52/99/189045299.db2.gz KYWNNBUOTMIXJZ-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177356431 189045300 /nfs/dbraw/zinc/04/53/00/189045300.db2.gz KYWNNBUOTMIXJZ-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177356431 189045301 /nfs/dbraw/zinc/04/53/01/189045301.db2.gz KYWNNBUOTMIXJZ-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000177912916 189078972 /nfs/dbraw/zinc/07/89/72/189078972.db2.gz FOBKSPBUHYEZTK-AWEZNQCLSA-N 2 2 276.428 2.765 20 30 CFEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000180005544 189232123 /nfs/dbraw/zinc/23/21/23/189232123.db2.gz QBZZHERXNWUBNE-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000180005544 189232124 /nfs/dbraw/zinc/23/21/24/189232124.db2.gz QBZZHERXNWUBNE-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000180005544 189232125 /nfs/dbraw/zinc/23/21/25/189232125.db2.gz QBZZHERXNWUBNE-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000180005544 189232126 /nfs/dbraw/zinc/23/21/26/189232126.db2.gz QBZZHERXNWUBNE-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP Cc1cc(NC[C@H](C2CCCCC2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425208794 238958013 /nfs/dbraw/zinc/95/80/13/238958013.db2.gz PZMGVPRTRVUMJY-QGZVFWFLSA-N 2 2 286.423 2.606 20 30 CFEDLP N#Cc1csc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092659232 375134413 /nfs/dbraw/zinc/13/44/13/375134413.db2.gz GCOCKZYFAMUQHJ-UHFFFAOYSA-N 2 2 272.377 2.653 20 30 CFEDLP C[N@@H+]1CCC[C@@H]1CC[NH+](CCC#N)CC(C)(C)C ZINC000120553108 376637925 /nfs/dbraw/zinc/63/79/25/376637925.db2.gz IXFLZCMDBVZKHV-CQSZACIVSA-N 2 2 251.418 2.732 20 30 CFEDLP C[N@H+]1CCC[C@@H]1CC[NH+](CCC#N)CC(C)(C)C ZINC000120553108 376637937 /nfs/dbraw/zinc/63/79/37/376637937.db2.gz IXFLZCMDBVZKHV-CQSZACIVSA-N 2 2 251.418 2.732 20 30 CFEDLP C[NH+]1CCC[C@@H]1CC[N@H+](CCC#N)CC(C)(C)C ZINC000120553108 376637946 /nfs/dbraw/zinc/63/79/46/376637946.db2.gz IXFLZCMDBVZKHV-CQSZACIVSA-N 2 2 251.418 2.732 20 30 CFEDLP C[NH+]1CCC[C@@H]1CC[N@@H+](CCC#N)CC(C)(C)C ZINC000120553108 376637956 /nfs/dbraw/zinc/63/79/56/376637956.db2.gz IXFLZCMDBVZKHV-CQSZACIVSA-N 2 2 251.418 2.732 20 30 CFEDLP N#Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1F ZINC000121401587 376823211 /nfs/dbraw/zinc/82/32/11/376823211.db2.gz BKVYRPGDEUYNEL-HNNXBMFYSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1F ZINC000121401587 376823218 /nfs/dbraw/zinc/82/32/18/376823218.db2.gz BKVYRPGDEUYNEL-HNNXBMFYSA-N 2 2 287.382 2.615 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC000121449827 376834988 /nfs/dbraw/zinc/83/49/88/376834988.db2.gz XXRHHRDHSPPSFO-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC000121449827 376834997 /nfs/dbraw/zinc/83/49/97/376834997.db2.gz XXRHHRDHSPPSFO-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1C ZINC000121449827 376835006 /nfs/dbraw/zinc/83/50/06/376835006.db2.gz XXRHHRDHSPPSFO-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1C ZINC000121449827 376835014 /nfs/dbraw/zinc/83/50/14/376835014.db2.gz XXRHHRDHSPPSFO-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121576613 376861103 /nfs/dbraw/zinc/86/11/03/376861103.db2.gz KKFKYGHVCOFTDN-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121576613 376861116 /nfs/dbraw/zinc/86/11/16/376861116.db2.gz KKFKYGHVCOFTDN-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)NC1CCCCC1 ZINC000264266852 383718245 /nfs/dbraw/zinc/71/82/45/383718245.db2.gz KSBSAIIJEHWSHZ-UHFFFAOYSA-N 2 2 289.427 2.511 20 30 CFEDLP CCCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129425447 377424032 /nfs/dbraw/zinc/42/40/32/377424032.db2.gz ALRYCYMPZBMDCZ-MRXNPFEDSA-N 2 2 268.445 2.611 20 30 CFEDLP CCCCCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129425447 377424039 /nfs/dbraw/zinc/42/40/39/377424039.db2.gz ALRYCYMPZBMDCZ-MRXNPFEDSA-N 2 2 268.445 2.611 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129440069 377427930 /nfs/dbraw/zinc/42/79/30/377427930.db2.gz PFXBTFSBZOYYRY-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129440069 377427933 /nfs/dbraw/zinc/42/79/33/377427933.db2.gz PFXBTFSBZOYYRY-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC000130665883 377591777 /nfs/dbraw/zinc/59/17/77/377591777.db2.gz XFKJYLSLRGFONC-NWDGAFQWSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000130665883 377591781 /nfs/dbraw/zinc/59/17/81/377591781.db2.gz XFKJYLSLRGFONC-NWDGAFQWSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000130665883 377591783 /nfs/dbraw/zinc/59/17/83/377591783.db2.gz XFKJYLSLRGFONC-NWDGAFQWSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000130665883 377591785 /nfs/dbraw/zinc/59/17/85/377591785.db2.gz XFKJYLSLRGFONC-NWDGAFQWSA-N 2 2 263.410 2.534 20 30 CFEDLP C=CCOCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000679487090 542197391 /nfs/dbraw/zinc/19/73/91/542197391.db2.gz XEMLRMZBAQTLOL-KRWDZBQOSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CCOCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000679487090 542197394 /nfs/dbraw/zinc/19/73/94/542197394.db2.gz XEMLRMZBAQTLOL-KRWDZBQOSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CCC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000132408760 377835905 /nfs/dbraw/zinc/83/59/05/377835905.db2.gz DBQBYJWQKTWXDE-UHFFFAOYSA-N 2 2 274.412 2.607 20 30 CFEDLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000135154075 378092926 /nfs/dbraw/zinc/09/29/26/378092926.db2.gz RWWQONPXOPCFJO-UHFFFAOYSA-N 2 2 261.369 2.504 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000151124331 378297981 /nfs/dbraw/zinc/29/79/81/378297981.db2.gz NEDHJGXNWBSOCA-OAHLLOKOSA-N 2 2 283.375 2.636 20 30 CFEDLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000328782015 378423578 /nfs/dbraw/zinc/42/35/78/378423578.db2.gz MZMATAYJYMDBCF-HNNXBMFYSA-N 2 2 290.411 2.972 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000154293225 378555801 /nfs/dbraw/zinc/55/58/01/378555801.db2.gz JGEUGOUGYQWXLO-YOEHRIQHSA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC000154293225 378555807 /nfs/dbraw/zinc/55/58/07/378555807.db2.gz JGEUGOUGYQWXLO-YOEHRIQHSA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1C ZINC000154293225 378555815 /nfs/dbraw/zinc/55/58/15/378555815.db2.gz JGEUGOUGYQWXLO-YOEHRIQHSA-N 2 2 274.383 2.592 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)CC[NH+]1C ZINC000154293225 378555819 /nfs/dbraw/zinc/55/58/19/378555819.db2.gz JGEUGOUGYQWXLO-YOEHRIQHSA-N 2 2 274.383 2.592 20 30 CFEDLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000161563363 378855820 /nfs/dbraw/zinc/85/58/20/378855820.db2.gz XMSSXEOCPWXZDV-UHFFFAOYSA-N 2 2 268.364 2.665 20 30 CFEDLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000161563363 378855827 /nfs/dbraw/zinc/85/58/27/378855827.db2.gz XMSSXEOCPWXZDV-UHFFFAOYSA-N 2 2 268.364 2.665 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000335698146 379740754 /nfs/dbraw/zinc/74/07/54/379740754.db2.gz GRXQLMJGNMGMAW-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn3ccccc3c2C#N)C1 ZINC000173900436 379797441 /nfs/dbraw/zinc/79/74/41/379797441.db2.gz ZHNFXFITJVHUNE-HNNXBMFYSA-N 2 2 296.418 2.585 20 30 CFEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn3ccccc3c2C#N)C1 ZINC000173900436 379797443 /nfs/dbraw/zinc/79/74/43/379797443.db2.gz ZHNFXFITJVHUNE-HNNXBMFYSA-N 2 2 296.418 2.585 20 30 CFEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000173900436 379797450 /nfs/dbraw/zinc/79/74/50/379797450.db2.gz ZHNFXFITJVHUNE-HNNXBMFYSA-N 2 2 296.418 2.585 20 30 CFEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000173900436 379797456 /nfs/dbraw/zinc/79/74/56/379797456.db2.gz ZHNFXFITJVHUNE-HNNXBMFYSA-N 2 2 296.418 2.585 20 30 CFEDLP CC1(C#N)CCC([NH2+]C[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000335037436 379961136 /nfs/dbraw/zinc/96/11/36/379961136.db2.gz HJALQFABHOQRLN-IIIMJFFVSA-N 2 2 283.419 2.935 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2F)CC[N@@H+]1C ZINC000336615448 380552363 /nfs/dbraw/zinc/55/23/63/380552363.db2.gz MYVWUSRDIZKDIT-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2F)CC[N@H+]1C ZINC000336615448 380552367 /nfs/dbraw/zinc/55/23/67/380552367.db2.gz MYVWUSRDIZKDIT-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)CC[NH+]1C ZINC000336615448 380552375 /nfs/dbraw/zinc/55/23/75/380552375.db2.gz MYVWUSRDIZKDIT-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)CC[NH+]1C ZINC000336615448 380552383 /nfs/dbraw/zinc/55/23/83/380552383.db2.gz MYVWUSRDIZKDIT-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000347007986 380874690 /nfs/dbraw/zinc/87/46/90/380874690.db2.gz DTYLRLYGJIVNGC-HNNXBMFYSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000347007986 380874695 /nfs/dbraw/zinc/87/46/95/380874695.db2.gz DTYLRLYGJIVNGC-HNNXBMFYSA-N 2 2 260.381 2.565 20 30 CFEDLP C[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353797639 380857897 /nfs/dbraw/zinc/85/78/97/380857897.db2.gz SOSIZIMGYFIKHT-KBXCAEBGSA-N 2 2 283.419 2.911 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1F ZINC000358560201 380927014 /nfs/dbraw/zinc/92/70/14/380927014.db2.gz QGMJAXYQFJYGTA-QEJZJMRPSA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1F ZINC000358560201 380927023 /nfs/dbraw/zinc/92/70/23/380927023.db2.gz QGMJAXYQFJYGTA-QEJZJMRPSA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1F ZINC000358560194 380927358 /nfs/dbraw/zinc/92/73/58/380927358.db2.gz QGMJAXYQFJYGTA-AEGPPILISA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1F ZINC000358560194 380927368 /nfs/dbraw/zinc/92/73/68/380927368.db2.gz QGMJAXYQFJYGTA-AEGPPILISA-N 2 2 287.382 2.975 20 30 CFEDLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358553650 380920882 /nfs/dbraw/zinc/92/08/82/380920882.db2.gz JFIRWAQZBLPBMS-GFCCVEGCSA-N 2 2 275.371 2.832 20 30 CFEDLP Cc1ccc(CCC[NH2+]Cc2cccc(C#N)c2)c[nH+]1 ZINC000353945431 380977780 /nfs/dbraw/zinc/97/77/80/380977780.db2.gz RAZSGURBLFYSTN-UHFFFAOYSA-N 2 2 265.360 2.984 20 30 CFEDLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(C#N)cc1F ZINC000358567846 380935246 /nfs/dbraw/zinc/93/52/46/380935246.db2.gz JYQLTBCEYCRUKH-ZDUSSCGKSA-N 2 2 275.371 2.834 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358570719 380937368 /nfs/dbraw/zinc/93/73/68/380937368.db2.gz NZZCSZOUPQSROR-OCCSQVGLSA-N 2 2 287.382 2.832 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358570719 380937379 /nfs/dbraw/zinc/93/73/79/380937379.db2.gz NZZCSZOUPQSROR-OCCSQVGLSA-N 2 2 287.382 2.832 20 30 CFEDLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1F ZINC000358577722 380943367 /nfs/dbraw/zinc/94/33/67/380943367.db2.gz UXGWDIHNDSBPOR-GFCCVEGCSA-N 2 2 287.382 2.975 20 30 CFEDLP C=CC[C@@H](CO)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368409855 381016602 /nfs/dbraw/zinc/01/66/02/381016602.db2.gz HSTMRTXEHQBNTM-IRXDYDNUSA-N 2 2 288.435 2.566 20 30 CFEDLP C=CC[C@@H](CO)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368409855 381016610 /nfs/dbraw/zinc/01/66/10/381016610.db2.gz HSTMRTXEHQBNTM-IRXDYDNUSA-N 2 2 288.435 2.566 20 30 CFEDLP C[C@@H](CCC#N)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411585257 381034871 /nfs/dbraw/zinc/03/48/71/381034871.db2.gz SERXJEQJRNTRGC-XIRDDKMYSA-N 2 2 286.423 2.698 20 30 CFEDLP C[C@@H](CCC#N)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000411585257 381034876 /nfs/dbraw/zinc/03/48/76/381034876.db2.gz SERXJEQJRNTRGC-XIRDDKMYSA-N 2 2 286.423 2.698 20 30 CFEDLP C[C@@H](CCC#N)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000411585257 381034885 /nfs/dbraw/zinc/03/48/85/381034885.db2.gz SERXJEQJRNTRGC-XIRDDKMYSA-N 2 2 286.423 2.698 20 30 CFEDLP C[C@@H](CCC#N)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411585257 381034896 /nfs/dbraw/zinc/03/48/96/381034896.db2.gz SERXJEQJRNTRGC-XIRDDKMYSA-N 2 2 286.423 2.698 20 30 CFEDLP C#CCn1ccc(C[N@H+](CC)CCCc2c[nH+]ccc2C)n1 ZINC000289881554 381200146 /nfs/dbraw/zinc/20/01/46/381200146.db2.gz WRMRPCHGKMGFMD-UHFFFAOYSA-N 2 2 296.418 2.674 20 30 CFEDLP C#CCn1ccc(C[N@@H+](CC)CCCc2c[nH+]ccc2C)n1 ZINC000289881554 381200156 /nfs/dbraw/zinc/20/01/56/381200156.db2.gz WRMRPCHGKMGFMD-UHFFFAOYSA-N 2 2 296.418 2.674 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185383701 381618979 /nfs/dbraw/zinc/61/89/79/381618979.db2.gz JIUKXFYAGDUOKR-ZDUSSCGKSA-N 2 2 290.407 2.702 20 30 CFEDLP C=C(C)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000371425803 381623960 /nfs/dbraw/zinc/62/39/60/381623960.db2.gz URRKZNLTTJTGMR-UHFFFAOYSA-N 2 2 273.424 2.596 20 30 CFEDLP C=C(C)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000371425803 381623968 /nfs/dbraw/zinc/62/39/68/381623968.db2.gz URRKZNLTTJTGMR-UHFFFAOYSA-N 2 2 273.424 2.596 20 30 CFEDLP N#Cc1ccccc1OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360020171 381731731 /nfs/dbraw/zinc/73/17/31/381731731.db2.gz LARWQTAZQAGFFO-UHFFFAOYSA-N 2 2 296.374 2.540 20 30 CFEDLP CC#CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000360969291 381797529 /nfs/dbraw/zinc/79/75/29/381797529.db2.gz QKNNOCUNUMWZII-RDJZCZTQSA-N 2 2 256.393 2.825 20 30 CFEDLP CC#CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000360969291 381797533 /nfs/dbraw/zinc/79/75/33/381797533.db2.gz QKNNOCUNUMWZII-RDJZCZTQSA-N 2 2 256.393 2.825 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC#N ZINC000363582751 382239300 /nfs/dbraw/zinc/23/93/00/382239300.db2.gz KHMDNXAKFXLKHR-DOTOQJQBSA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC#N ZINC000363582751 382239305 /nfs/dbraw/zinc/23/93/05/382239305.db2.gz KHMDNXAKFXLKHR-DOTOQJQBSA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCC#N ZINC000363582751 382239306 /nfs/dbraw/zinc/23/93/06/382239306.db2.gz KHMDNXAKFXLKHR-DOTOQJQBSA-N 2 2 271.408 2.742 20 30 CFEDLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCC#N ZINC000363582751 382239311 /nfs/dbraw/zinc/23/93/11/382239311.db2.gz KHMDNXAKFXLKHR-DOTOQJQBSA-N 2 2 271.408 2.742 20 30 CFEDLP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000352404614 382310200 /nfs/dbraw/zinc/31/02/00/382310200.db2.gz CKPJBBWJQKTAAI-NVXWUHKLSA-N 2 2 273.424 2.848 20 30 CFEDLP C=C(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000352404614 382310203 /nfs/dbraw/zinc/31/02/03/382310203.db2.gz CKPJBBWJQKTAAI-NVXWUHKLSA-N 2 2 273.424 2.848 20 30 CFEDLP C=CCC1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CCCCC1 ZINC000419705582 382323252 /nfs/dbraw/zinc/32/32/52/382323252.db2.gz AUFOXAFDAGMPSI-UHFFFAOYSA-N 2 2 276.428 2.855 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346538469 382402106 /nfs/dbraw/zinc/40/21/06/382402106.db2.gz SNRKKZAQBDFHMZ-ZDUSSCGKSA-N 2 2 266.348 2.827 20 30 CFEDLP C=CC[NH+](CC=C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420902718 382491479 /nfs/dbraw/zinc/49/14/79/382491479.db2.gz MZRBRRBVBQWWTH-UHFFFAOYSA-N 2 2 286.419 2.693 20 30 CFEDLP C=C(C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000346777073 382506801 /nfs/dbraw/zinc/50/68/01/382506801.db2.gz JUEOCDPOHDKSOM-WMLDXEAASA-N 2 2 256.393 2.772 20 30 CFEDLP C=C(C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000346777073 382506806 /nfs/dbraw/zinc/50/68/06/382506806.db2.gz JUEOCDPOHDKSOM-WMLDXEAASA-N 2 2 256.393 2.772 20 30 CFEDLP C=CCC[C@@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000320647571 382538667 /nfs/dbraw/zinc/53/86/67/382538667.db2.gz OKBHIXBFVHBBJX-ROUUACIJSA-N 2 2 288.435 2.568 20 30 CFEDLP C=CCC[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000320647571 382538672 /nfs/dbraw/zinc/53/86/72/382538672.db2.gz OKBHIXBFVHBBJX-ROUUACIJSA-N 2 2 288.435 2.568 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000294909020 382543516 /nfs/dbraw/zinc/54/35/16/382543516.db2.gz GCKCODOVXASIES-CYBMUJFWSA-N 2 2 289.810 2.817 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000294909020 382543519 /nfs/dbraw/zinc/54/35/19/382543519.db2.gz GCKCODOVXASIES-CYBMUJFWSA-N 2 2 289.810 2.817 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000294967641 382557049 /nfs/dbraw/zinc/55/70/49/382557049.db2.gz JTBMIXHWXVGOGK-KRWDZBQOSA-N 2 2 273.424 2.714 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000294967641 382557051 /nfs/dbraw/zinc/55/70/51/382557051.db2.gz JTBMIXHWXVGOGK-KRWDZBQOSA-N 2 2 273.424 2.714 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000367308378 382564364 /nfs/dbraw/zinc/56/43/64/382564364.db2.gz OPLVHBUSXVBLLP-QGZVFWFLSA-N 2 2 265.360 2.702 20 30 CFEDLP CC[N@H+]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000358329120 382571478 /nfs/dbraw/zinc/57/14/78/382571478.db2.gz OBZFUVXWHQUMNW-UAGQMJEPSA-N 2 2 271.408 2.961 20 30 CFEDLP CC[N@@H+]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)[C@@H](C)C1 ZINC000358329120 382571483 /nfs/dbraw/zinc/57/14/83/382571483.db2.gz OBZFUVXWHQUMNW-UAGQMJEPSA-N 2 2 271.408 2.961 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000366633080 382536050 /nfs/dbraw/zinc/53/60/50/382536050.db2.gz IXOALSIUDBJRQE-WBVHZDCISA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000366633080 382536052 /nfs/dbraw/zinc/53/60/52/382536052.db2.gz IXOALSIUDBJRQE-WBVHZDCISA-N 2 2 283.419 2.790 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3F)CC[C@H]21 ZINC000227336161 382835820 /nfs/dbraw/zinc/83/58/20/382835820.db2.gz UPJVTLAGQOIFKK-DOTOQJQBSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3F)CC[C@H]21 ZINC000227336161 382835822 /nfs/dbraw/zinc/83/58/22/382835822.db2.gz UPJVTLAGQOIFKK-DOTOQJQBSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3F)CC[C@H]21 ZINC000227336161 382835824 /nfs/dbraw/zinc/83/58/24/382835824.db2.gz UPJVTLAGQOIFKK-DOTOQJQBSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3F)CC[C@H]21 ZINC000227336161 382835825 /nfs/dbraw/zinc/83/58/25/382835825.db2.gz UPJVTLAGQOIFKK-DOTOQJQBSA-N 2 2 287.382 2.613 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000442786869 382957034 /nfs/dbraw/zinc/95/70/34/382957034.db2.gz CICOCKPVIZOXLP-PMPSAXMXSA-N 2 2 261.413 2.533 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000442786869 382957037 /nfs/dbraw/zinc/95/70/37/382957037.db2.gz CICOCKPVIZOXLP-PMPSAXMXSA-N 2 2 261.413 2.533 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000541535398 382965720 /nfs/dbraw/zinc/96/57/20/382965720.db2.gz CBJYPNZYXUMLFC-CYBMUJFWSA-N 2 2 295.390 2.700 20 30 CFEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000541535398 382965723 /nfs/dbraw/zinc/96/57/23/382965723.db2.gz CBJYPNZYXUMLFC-CYBMUJFWSA-N 2 2 295.390 2.700 20 30 CFEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423363184 383064800 /nfs/dbraw/zinc/06/48/00/383064800.db2.gz NPKQPPASXICLDN-JEBQAFNWSA-N 2 2 283.419 2.913 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000245724976 383027889 /nfs/dbraw/zinc/02/78/89/383027889.db2.gz IQFGYVNWXABCQM-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000245724976 383027893 /nfs/dbraw/zinc/02/78/93/383027893.db2.gz IQFGYVNWXABCQM-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000245724976 383027898 /nfs/dbraw/zinc/02/78/98/383027898.db2.gz IQFGYVNWXABCQM-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000245724976 383027901 /nfs/dbraw/zinc/02/79/01/383027901.db2.gz IQFGYVNWXABCQM-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1F ZINC000423507151 383125405 /nfs/dbraw/zinc/12/54/05/383125405.db2.gz PRQPCRMGOSVMAI-BZNIZROVSA-N 2 2 275.371 2.865 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247019063 383132650 /nfs/dbraw/zinc/13/26/50/383132650.db2.gz XUBOAIKJPUTSEA-MAUKXSAKSA-N 2 2 288.410 2.839 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247019063 383132652 /nfs/dbraw/zinc/13/26/52/383132652.db2.gz XUBOAIKJPUTSEA-MAUKXSAKSA-N 2 2 288.410 2.839 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247019063 383132656 /nfs/dbraw/zinc/13/26/56/383132656.db2.gz XUBOAIKJPUTSEA-MAUKXSAKSA-N 2 2 288.410 2.839 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247019063 383132658 /nfs/dbraw/zinc/13/26/58/383132658.db2.gz XUBOAIKJPUTSEA-MAUKXSAKSA-N 2 2 288.410 2.839 20 30 CFEDLP CC1(C#N)CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000449226024 383184884 /nfs/dbraw/zinc/18/48/84/383184884.db2.gz PZTBQUHMKJAKPW-UHFFFAOYSA-N 2 2 272.396 2.946 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000248012336 383206424 /nfs/dbraw/zinc/20/64/24/383206424.db2.gz LKBXCTFXNLCZEN-LRDDRELGSA-N 2 2 275.371 2.517 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000248012336 383206428 /nfs/dbraw/zinc/20/64/28/383206428.db2.gz LKBXCTFXNLCZEN-LRDDRELGSA-N 2 2 275.371 2.517 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563150391 383165622 /nfs/dbraw/zinc/16/56/22/383165622.db2.gz NBSTYHQXCKFXPQ-WBVHZDCISA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563150391 383165628 /nfs/dbraw/zinc/16/56/28/383165628.db2.gz NBSTYHQXCKFXPQ-WBVHZDCISA-N 2 2 283.419 2.933 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000567285431 383258963 /nfs/dbraw/zinc/25/89/63/383258963.db2.gz WTRSHIVVOSKXPQ-QGZVFWFLSA-N 2 2 292.386 2.868 20 30 CFEDLP Cc1cc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425200274 383339348 /nfs/dbraw/zinc/33/93/48/383339348.db2.gz KJSJNEXKIZOSTG-KRWDZBQOSA-N 2 2 298.365 2.538 20 30 CFEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000249034734 383318894 /nfs/dbraw/zinc/31/88/94/383318894.db2.gz SBRPMIAXESWHFZ-HRCADAONSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000249034734 383318898 /nfs/dbraw/zinc/31/88/98/383318898.db2.gz SBRPMIAXESWHFZ-HRCADAONSA-N 2 2 263.429 2.923 20 30 CFEDLP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000480564755 383419133 /nfs/dbraw/zinc/41/91/33/383419133.db2.gz RNDLGBKMZKBMDQ-RBUKOAKNSA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000480564755 383419137 /nfs/dbraw/zinc/41/91/37/383419137.db2.gz RNDLGBKMZKBMDQ-RBUKOAKNSA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000480564755 383419142 /nfs/dbraw/zinc/41/91/42/383419142.db2.gz RNDLGBKMZKBMDQ-RBUKOAKNSA-N 2 2 282.431 2.996 20 30 CFEDLP CC#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000480564755 383419145 /nfs/dbraw/zinc/41/91/45/383419145.db2.gz RNDLGBKMZKBMDQ-RBUKOAKNSA-N 2 2 282.431 2.996 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1F ZINC000340907522 383499873 /nfs/dbraw/zinc/49/98/73/383499873.db2.gz PCESBCMBAYQDIM-INIZCTEOSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1F ZINC000340907522 383499875 /nfs/dbraw/zinc/49/98/75/383499875.db2.gz PCESBCMBAYQDIM-INIZCTEOSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266967211 384272093 /nfs/dbraw/zinc/27/20/93/384272093.db2.gz YOZUOQDFLJLTQL-OAHLLOKOSA-N 2 2 266.348 2.661 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266967211 384272096 /nfs/dbraw/zinc/27/20/96/384272096.db2.gz YOZUOQDFLJLTQL-OAHLLOKOSA-N 2 2 266.348 2.661 20 30 CFEDLP CCc1cccc(NC(=[NH2+])NCCc2cc[nH+]cc2C)c1 ZINC000269941877 384912828 /nfs/dbraw/zinc/91/28/28/384912828.db2.gz GUOGEBGEQBRDAM-UHFFFAOYSA-N 2 2 282.391 2.922 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(C)(C)C ZINC000289247263 197274845 /nfs/dbraw/zinc/27/48/45/197274845.db2.gz ATENEUWTUHLSLV-KRWDZBQOSA-N 2 2 285.435 2.684 20 30 CFEDLP C#CCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270525019 385133785 /nfs/dbraw/zinc/13/37/85/385133785.db2.gz NGJKCAPAAWOUFP-OAHLLOKOSA-N 2 2 267.376 2.832 20 30 CFEDLP C#CCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270525019 385133792 /nfs/dbraw/zinc/13/37/92/385133792.db2.gz NGJKCAPAAWOUFP-OAHLLOKOSA-N 2 2 267.376 2.832 20 30 CFEDLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000271937463 385405487 /nfs/dbraw/zinc/40/54/87/385405487.db2.gz NRQFPXOWWOPMRG-NWDGAFQWSA-N 2 2 272.327 2.633 20 30 CFEDLP C=CC[N@H+](CCCn1cc[nH+]c1)CCc1ccco1 ZINC000272313966 385507848 /nfs/dbraw/zinc/50/78/48/385507848.db2.gz SCRKQLRENRSHGW-UHFFFAOYSA-N 2 2 259.353 2.597 20 30 CFEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)CCc1ccco1 ZINC000272313966 385507852 /nfs/dbraw/zinc/50/78/52/385507852.db2.gz SCRKQLRENRSHGW-UHFFFAOYSA-N 2 2 259.353 2.597 20 30 CFEDLP CC(C)[NH+]1CCC([N@H+](C)CC#Cc2ccccc2)CC1 ZINC000276801859 386047944 /nfs/dbraw/zinc/04/79/44/386047944.db2.gz MROHEQOMDIOWBP-UHFFFAOYSA-N 2 2 270.420 2.843 20 30 CFEDLP CC(C)[NH+]1CCC([N@@H+](C)CC#Cc2ccccc2)CC1 ZINC000276801859 386047950 /nfs/dbraw/zinc/04/79/50/386047950.db2.gz MROHEQOMDIOWBP-UHFFFAOYSA-N 2 2 270.420 2.843 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000372676683 393454125 /nfs/dbraw/zinc/45/41/25/393454125.db2.gz RDDFVIKQIFNKJD-YXXBGZSLSA-N 2 2 295.430 2.683 20 30 CFEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000372676683 393454128 /nfs/dbraw/zinc/45/41/28/393454128.db2.gz RDDFVIKQIFNKJD-YXXBGZSLSA-N 2 2 295.430 2.683 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336222240 393723404 /nfs/dbraw/zinc/72/34/04/393723404.db2.gz OOKSFUMUDRYLAU-KNLHSXBVSA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000336222240 393723406 /nfs/dbraw/zinc/72/34/06/393723406.db2.gz OOKSFUMUDRYLAU-KNLHSXBVSA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@@H](C#N)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000338362042 393784434 /nfs/dbraw/zinc/78/44/34/393784434.db2.gz VYLPUJIOIUTRBX-AWEZNQCLSA-N 2 2 280.375 2.996 20 30 CFEDLP C[C@@H](C#N)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000338362042 393784438 /nfs/dbraw/zinc/78/44/38/393784438.db2.gz VYLPUJIOIUTRBX-AWEZNQCLSA-N 2 2 280.375 2.996 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC34CC4)CC2)cc1 ZINC000424187777 393790183 /nfs/dbraw/zinc/79/01/83/393790183.db2.gz WMWVGIDNMWGBLI-QGZVFWFLSA-N 2 2 281.403 2.665 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000246489750 393870902 /nfs/dbraw/zinc/87/09/02/393870902.db2.gz IILUZBSZUDXEOP-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000246489750 393870905 /nfs/dbraw/zinc/87/09/05/393870905.db2.gz IILUZBSZUDXEOP-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000246489750 393870906 /nfs/dbraw/zinc/87/09/06/393870906.db2.gz IILUZBSZUDXEOP-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000246489750 393870908 /nfs/dbraw/zinc/87/09/08/393870908.db2.gz IILUZBSZUDXEOP-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+](CCC#N)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346222524 393923729 /nfs/dbraw/zinc/92/37/29/393923729.db2.gz TYCHOHSHEDFHKA-UHFFFAOYSA-N 2 2 260.366 2.669 20 30 CFEDLP CC[N@@H+](CCC#N)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346222524 393923733 /nfs/dbraw/zinc/92/37/33/393923733.db2.gz TYCHOHSHEDFHKA-UHFFFAOYSA-N 2 2 260.366 2.669 20 30 CFEDLP C[NH+](C)CC1(C[NH2+]Cc2ccc(C#N)cc2F)CCCC1 ZINC000274051399 394036841 /nfs/dbraw/zinc/03/68/41/394036841.db2.gz UMZFBVSSQBTJFR-UHFFFAOYSA-N 2 2 289.398 2.909 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1F ZINC000358560199 394109610 /nfs/dbraw/zinc/10/96/10/394109610.db2.gz QGMJAXYQFJYGTA-NWANDNLSSA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1F ZINC000358560199 394109613 /nfs/dbraw/zinc/10/96/13/394109613.db2.gz QGMJAXYQFJYGTA-NWANDNLSSA-N 2 2 287.382 2.975 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)C(C)C ZINC000442711249 394139498 /nfs/dbraw/zinc/13/94/98/394139498.db2.gz RRFDFOJKONGVEM-YESZJQIVSA-N 2 2 275.440 2.967 20 30 CFEDLP C=CCC[C@@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361073217 394164864 /nfs/dbraw/zinc/16/48/64/394164864.db2.gz MLZVUIOJWWAZJO-QGZVFWFLSA-N 2 2 291.439 2.702 20 30 CFEDLP N#CCC[C@H](C#N)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072171 394164997 /nfs/dbraw/zinc/16/49/97/394164997.db2.gz FIHJOJJXBYZGCF-QGZVFWFLSA-N 2 2 299.422 2.819 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000289569938 394219431 /nfs/dbraw/zinc/21/94/31/394219431.db2.gz SKIRJYQFDFEHFL-LJQANCHMSA-N 2 2 295.430 2.770 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000289583530 394220372 /nfs/dbraw/zinc/22/03/72/394220372.db2.gz DYRKPMJUNUMYAH-CYBMUJFWSA-N 2 2 290.407 2.702 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151118498 394261352 /nfs/dbraw/zinc/26/13/52/394261352.db2.gz MKQKOBCFVMUYDC-GOEBONIOSA-N 2 2 286.419 2.966 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151118498 394261356 /nfs/dbraw/zinc/26/13/56/394261356.db2.gz MKQKOBCFVMUYDC-GOEBONIOSA-N 2 2 286.419 2.966 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C#N)cc1 ZINC000368102620 394267539 /nfs/dbraw/zinc/26/75/39/394267539.db2.gz PHBNDQYGNARURL-GJZGRUSLSA-N 2 2 280.375 2.880 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(C#N)cc1 ZINC000368102620 394267545 /nfs/dbraw/zinc/26/75/45/394267545.db2.gz PHBNDQYGNARURL-GJZGRUSLSA-N 2 2 280.375 2.880 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)c(F)c1 ZINC000547979785 394901122 /nfs/dbraw/zinc/90/11/22/394901122.db2.gz HQXXCEACBIGGMN-SMDDNHRTSA-N 2 2 284.338 2.559 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567774057 395083713 /nfs/dbraw/zinc/08/37/13/395083713.db2.gz PUZMDBNMGJJEAJ-DOTOQJQBSA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567774057 395083714 /nfs/dbraw/zinc/08/37/14/395083714.db2.gz PUZMDBNMGJJEAJ-DOTOQJQBSA-N 2 2 283.419 2.790 20 30 CFEDLP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1C#N ZINC000366921115 156255585 /nfs/dbraw/zinc/25/55/85/156255585.db2.gz JOTGUSCSGOKTOG-UHFFFAOYSA-N 2 2 299.418 2.673 20 30 CFEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C2 ZINC000376494260 157363208 /nfs/dbraw/zinc/36/32/08/157363208.db2.gz ZURFZTVHZXTHJS-BBRMVZONSA-N 2 2 280.375 2.729 20 30 CFEDLP CC(C)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000346312350 162380517 /nfs/dbraw/zinc/38/05/17/162380517.db2.gz PLRXHLVLHWHLBO-UHFFFAOYSA-N 2 2 282.391 2.913 20 30 CFEDLP CC(C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000346312350 162380519 /nfs/dbraw/zinc/38/05/19/162380519.db2.gz PLRXHLVLHWHLBO-UHFFFAOYSA-N 2 2 282.391 2.913 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)CCCOC ZINC000657888109 414029680 /nfs/dbraw/zinc/02/96/80/414029680.db2.gz JLGIAHUZLWIHIA-HZPDHXFCSA-N 2 2 268.445 2.679 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)CCCOC ZINC000657888109 414029688 /nfs/dbraw/zinc/02/96/88/414029688.db2.gz JLGIAHUZLWIHIA-HZPDHXFCSA-N 2 2 268.445 2.679 20 30 CFEDLP C=CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000665238408 414196550 /nfs/dbraw/zinc/19/65/50/414196550.db2.gz XXIQWBWBABXQBG-CVEARBPZSA-N 2 2 260.381 2.654 20 30 CFEDLP C=CCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000665238410 414197319 /nfs/dbraw/zinc/19/73/19/414197319.db2.gz XXIQWBWBABXQBG-HZPDHXFCSA-N 2 2 260.381 2.654 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658293648 414353981 /nfs/dbraw/zinc/35/39/81/414353981.db2.gz IHOHIWNRVUOYCP-WBVHZDCISA-N 2 2 280.456 2.964 20 30 CFEDLP C=CCCC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655739200 414404397 /nfs/dbraw/zinc/40/43/97/414404397.db2.gz ZNOGYKAJFCLIRL-ZBFHGGJFSA-N 2 2 266.429 2.574 20 30 CFEDLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(OCC#N)cc1 ZINC000037249235 260078580 /nfs/dbraw/zinc/07/85/80/260078580.db2.gz AXBVPIQUFWRCMW-CQSZACIVSA-N 2 2 284.363 2.526 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309937834 262058221 /nfs/dbraw/zinc/05/82/21/262058221.db2.gz DWANAZMTLWQPHP-YQQAZPJKSA-N 2 2 256.393 2.651 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309937834 262058223 /nfs/dbraw/zinc/05/82/23/262058223.db2.gz DWANAZMTLWQPHP-YQQAZPJKSA-N 2 2 256.393 2.651 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](C#N)CCC#N ZINC000191513602 262192669 /nfs/dbraw/zinc/19/26/69/262192669.db2.gz XLABVNQEXBUQMQ-OAHLLOKOSA-N 2 2 287.411 2.601 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000191513602 262192670 /nfs/dbraw/zinc/19/26/70/262192670.db2.gz XLABVNQEXBUQMQ-OAHLLOKOSA-N 2 2 287.411 2.601 20 30 CFEDLP C[C@H]1CC[N@H+](CCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000271948751 263000633 /nfs/dbraw/zinc/00/06/33/263000633.db2.gz ANEKKFNZXHKBGL-UONOGXRCSA-N 2 2 260.385 2.706 20 30 CFEDLP C[C@H]1CC[N@@H+](CCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000271948751 263000634 /nfs/dbraw/zinc/00/06/34/263000634.db2.gz ANEKKFNZXHKBGL-UONOGXRCSA-N 2 2 260.385 2.706 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CNCc1[nH+]cc(C)n1C)C(C)C ZINC000341095163 263321647 /nfs/dbraw/zinc/32/16/47/263321647.db2.gz RTIDDNLAZYDJMV-INIZCTEOSA-N 2 2 290.455 2.517 20 30 CFEDLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000519857833 265628701 /nfs/dbraw/zinc/62/87/01/265628701.db2.gz BYTUITSRGCVQHL-HOCLYGCPSA-N 2 2 275.440 2.923 20 30 CFEDLP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000362727379 267039453 /nfs/dbraw/zinc/03/94/53/267039453.db2.gz RRUQNGDNKZXOPB-SJORKVTESA-N 2 2 280.375 2.655 20 30 CFEDLP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000362727379 267039456 /nfs/dbraw/zinc/03/94/56/267039456.db2.gz RRUQNGDNKZXOPB-SJORKVTESA-N 2 2 280.375 2.655 20 30 CFEDLP C=CCCCCC[NH+]1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000368472979 267175212 /nfs/dbraw/zinc/17/52/12/267175212.db2.gz CECJDYUNMHJMSE-IRXDYDNUSA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[NH+]1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000368472979 267175215 /nfs/dbraw/zinc/17/52/15/267175215.db2.gz CECJDYUNMHJMSE-IRXDYDNUSA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[N@H+]1CCC[C@H]1C[NH+]1CCC[C@H]1CO ZINC000368472979 267175219 /nfs/dbraw/zinc/17/52/19/267175219.db2.gz CECJDYUNMHJMSE-IRXDYDNUSA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[N@@H+]1CCC[C@H]1C[NH+]1CCC[C@H]1CO ZINC000368472979 267175222 /nfs/dbraw/zinc/17/52/22/267175222.db2.gz CECJDYUNMHJMSE-IRXDYDNUSA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000368570719 267187486 /nfs/dbraw/zinc/18/74/86/267187486.db2.gz YUJDHSUCSIPLIV-FGTMMUONSA-N 2 2 292.467 2.822 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCC#N ZINC000371068668 267349441 /nfs/dbraw/zinc/34/94/41/267349441.db2.gz IHSJARLPGDKFIK-CQSZACIVSA-N 2 2 260.385 2.775 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCC#N ZINC000371068668 267349443 /nfs/dbraw/zinc/34/94/43/267349443.db2.gz IHSJARLPGDKFIK-CQSZACIVSA-N 2 2 260.385 2.775 20 30 CFEDLP C=C(C)C[N@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000305828078 268005562 /nfs/dbraw/zinc/00/55/62/268005562.db2.gz UAUBQWSIILLYQO-OAHLLOKOSA-N 2 2 287.407 2.522 20 30 CFEDLP C=C(C)C[N@@H+](C)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000305828078 268005565 /nfs/dbraw/zinc/00/55/65/268005565.db2.gz UAUBQWSIILLYQO-OAHLLOKOSA-N 2 2 287.407 2.522 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)CC[N@@H+]1C ZINC000192056131 270229257 /nfs/dbraw/zinc/22/92/57/270229257.db2.gz DVNAYZVEILQWCF-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC000192056131 270229259 /nfs/dbraw/zinc/22/92/59/270229259.db2.gz DVNAYZVEILQWCF-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)CC[NH+]1C ZINC000192056131 270229261 /nfs/dbraw/zinc/22/92/61/270229261.db2.gz DVNAYZVEILQWCF-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)CC[NH+]1C ZINC000192056131 270229264 /nfs/dbraw/zinc/22/92/64/270229264.db2.gz DVNAYZVEILQWCF-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP Fc1ccc(C#CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000269628542 274910700 /nfs/dbraw/zinc/91/07/00/274910700.db2.gz PGYUEWRDSLARCM-UHFFFAOYSA-N 2 2 283.350 2.780 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000352519509 279126010 /nfs/dbraw/zinc/12/60/10/279126010.db2.gz PBFYVZZURVRDEE-VDHUWJSZSA-N 2 2 283.419 2.931 20 30 CFEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000352519509 279126014 /nfs/dbraw/zinc/12/60/14/279126014.db2.gz PBFYVZZURVRDEE-VDHUWJSZSA-N 2 2 283.419 2.931 20 30 CFEDLP N#CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266904376 328170449 /nfs/dbraw/zinc/17/04/49/328170449.db2.gz HIYDNQHFFUEKRV-HNNXBMFYSA-N 2 2 296.374 2.692 20 30 CFEDLP N#CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266904376 328170450 /nfs/dbraw/zinc/17/04/50/328170450.db2.gz HIYDNQHFFUEKRV-HNNXBMFYSA-N 2 2 296.374 2.692 20 30 CFEDLP C[N@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152280736 328364861 /nfs/dbraw/zinc/36/48/61/328364861.db2.gz PJYNAOTVERTYNL-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152280736 328364862 /nfs/dbraw/zinc/36/48/62/328364862.db2.gz PJYNAOTVERTYNL-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152280736 328364864 /nfs/dbraw/zinc/36/48/64/328364864.db2.gz PJYNAOTVERTYNL-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152280736 328364866 /nfs/dbraw/zinc/36/48/66/328364866.db2.gz PJYNAOTVERTYNL-MRXNPFEDSA-N 2 2 290.838 2.965 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377774229 329028792 /nfs/dbraw/zinc/02/87/92/329028792.db2.gz GPQVBSUSSWHRCC-CQSZACIVSA-N 2 2 283.375 2.622 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377774229 329028794 /nfs/dbraw/zinc/02/87/94/329028794.db2.gz GPQVBSUSSWHRCC-CQSZACIVSA-N 2 2 283.375 2.622 20 30 CFEDLP C#CCCC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000176500317 329176086 /nfs/dbraw/zinc/17/60/86/329176086.db2.gz PKEUXZALOQEDKM-WBVHZDCISA-N 2 2 256.393 2.825 20 30 CFEDLP C#CCCC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000176500317 329176088 /nfs/dbraw/zinc/17/60/88/329176088.db2.gz PKEUXZALOQEDKM-WBVHZDCISA-N 2 2 256.393 2.825 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])C(C)C ZINC000422828019 330156513 /nfs/dbraw/zinc/15/65/13/330156513.db2.gz FOVZMIPLNOIRHD-FGTMMUONSA-N 3 2 293.499 2.935 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)C(C)C ZINC000422834795 330156873 /nfs/dbraw/zinc/15/68/73/330156873.db2.gz OFVXDJMXWTYWAP-DAWZGUTISA-N 3 2 293.499 2.792 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422861260 330158061 /nfs/dbraw/zinc/15/80/61/330158061.db2.gz NUAMIHKBQXCYLA-WBVHZDCISA-N 3 2 279.472 2.537 20 30 CFEDLP C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422997348 330163503 /nfs/dbraw/zinc/16/35/03/330163503.db2.gz NQLGJMDOTROCDK-KBMXLJTQSA-N 2 2 257.381 2.762 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]cccc2OC)CC1 ZINC000527878017 330291413 /nfs/dbraw/zinc/29/14/13/330291413.db2.gz AXPHRKMUPHCFEY-UHFFFAOYSA-N 2 2 261.369 2.543 20 30 CFEDLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1-c1ccccc1 ZINC000424194435 330324372 /nfs/dbraw/zinc/32/43/72/330324372.db2.gz LPGCZFIPLWMRMC-LSDHHAIUSA-N 2 2 280.375 2.963 20 30 CFEDLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000459363624 331278359 /nfs/dbraw/zinc/27/83/59/331278359.db2.gz RQGIQOZDGSXAIL-QZTJIDSGSA-N 2 2 294.402 2.734 20 30 CFEDLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000459363624 331278360 /nfs/dbraw/zinc/27/83/60/331278360.db2.gz RQGIQOZDGSXAIL-QZTJIDSGSA-N 2 2 294.402 2.734 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@H]1C[C@@H]1C)C(C)C ZINC000488448455 332010238 /nfs/dbraw/zinc/01/02/38/332010238.db2.gz ZTMXOCDYMACHHZ-ARFHVFGLSA-N 2 2 250.430 2.931 20 30 CFEDLP C#C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(F)cc1 ZINC000491419072 332208274 /nfs/dbraw/zinc/20/82/74/332208274.db2.gz TVRZPTKEFCBJNH-INIZCTEOSA-N 2 2 279.318 2.938 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000491672795 332279416 /nfs/dbraw/zinc/27/94/16/332279416.db2.gz HWSCIXMWBPSRIJ-OAHLLOKOSA-N 2 2 262.784 2.698 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000491694275 332290491 /nfs/dbraw/zinc/29/04/91/332290491.db2.gz FFEAXIXMYWRBCD-INIZCTEOSA-N 2 2 260.356 2.574 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000174782049 521719623 /nfs/dbraw/zinc/71/96/23/521719623.db2.gz GWZDQQHRANFJGX-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000174782049 521719624 /nfs/dbraw/zinc/71/96/24/521719624.db2.gz GWZDQQHRANFJGX-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000174782049 521719625 /nfs/dbraw/zinc/71/96/25/521719625.db2.gz GWZDQQHRANFJGX-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000174782049 521719626 /nfs/dbraw/zinc/71/96/26/521719626.db2.gz GWZDQQHRANFJGX-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000336119490 522097728 /nfs/dbraw/zinc/09/77/28/522097728.db2.gz WMCRJSZKNUGFAR-HNNXBMFYSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000336119490 522097735 /nfs/dbraw/zinc/09/77/35/522097735.db2.gz WMCRJSZKNUGFAR-HNNXBMFYSA-N 2 2 275.371 2.613 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3C#N)CC[C@@H]21 ZINC000158632299 523834962 /nfs/dbraw/zinc/83/49/62/523834962.db2.gz KZYBQKIOYMHPMT-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3C#N)CC[C@@H]21 ZINC000158632299 523834967 /nfs/dbraw/zinc/83/49/67/523834967.db2.gz KZYBQKIOYMHPMT-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3C#N)CC[C@@H]21 ZINC000158632299 523834971 /nfs/dbraw/zinc/83/49/71/523834971.db2.gz KZYBQKIOYMHPMT-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3C#N)CC[C@@H]21 ZINC000158632299 523834976 /nfs/dbraw/zinc/83/49/76/523834976.db2.gz KZYBQKIOYMHPMT-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000106245923 526603881 /nfs/dbraw/zinc/60/38/81/526603881.db2.gz SOBJUUVTQMVXOT-UHFFFAOYSA-N 2 2 289.379 2.725 20 30 CFEDLP C=C(C)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000352854356 526624346 /nfs/dbraw/zinc/62/43/46/526624346.db2.gz SWGQHXAQMYZEOX-UHFFFAOYSA-N 2 2 265.426 2.575 20 30 CFEDLP C=C(C)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000352854356 526624350 /nfs/dbraw/zinc/62/43/50/526624350.db2.gz SWGQHXAQMYZEOX-UHFFFAOYSA-N 2 2 265.426 2.575 20 30 CFEDLP C#CCCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000113329713 526742985 /nfs/dbraw/zinc/74/29/85/526742985.db2.gz PACKVLNWCYRKTR-MRXNPFEDSA-N 2 2 297.402 2.711 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000365624198 527467805 /nfs/dbraw/zinc/46/78/05/527467805.db2.gz GSFYGGMINCVWPZ-INIZCTEOSA-N 2 2 280.375 2.671 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000365624198 527467810 /nfs/dbraw/zinc/46/78/10/527467810.db2.gz GSFYGGMINCVWPZ-INIZCTEOSA-N 2 2 280.375 2.671 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000174211929 528184306 /nfs/dbraw/zinc/18/43/06/528184306.db2.gz DDQSQHVFUSDZON-QGZVFWFLSA-N 2 2 271.408 2.722 20 30 CFEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000174211929 528184311 /nfs/dbraw/zinc/18/43/11/528184311.db2.gz DDQSQHVFUSDZON-QGZVFWFLSA-N 2 2 271.408 2.722 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000892105142 617953333 /nfs/dbraw/zinc/95/33/33/617953333.db2.gz JCBFBRMZLCLFNQ-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000892105142 617953338 /nfs/dbraw/zinc/95/33/38/617953338.db2.gz JCBFBRMZLCLFNQ-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000892105142 617953341 /nfs/dbraw/zinc/95/33/41/617953341.db2.gz JCBFBRMZLCLFNQ-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000892105142 617953346 /nfs/dbraw/zinc/95/33/46/617953346.db2.gz JCBFBRMZLCLFNQ-SWLSCSKDSA-N 2 2 277.437 2.782 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3csc(C#N)c3)CC[C@@H]21 ZINC000892228635 618015485 /nfs/dbraw/zinc/01/54/85/618015485.db2.gz POTDFJYOYUKWMD-HIFRSBDPSA-N 2 2 275.421 2.536 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3csc(C#N)c3)CC[C@@H]21 ZINC000892228635 618015489 /nfs/dbraw/zinc/01/54/89/618015489.db2.gz POTDFJYOYUKWMD-HIFRSBDPSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3csc(C#N)c3)CC[C@@H]21 ZINC000892228635 618015495 /nfs/dbraw/zinc/01/54/95/618015495.db2.gz POTDFJYOYUKWMD-HIFRSBDPSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3csc(C#N)c3)CC[C@@H]21 ZINC000892228635 618015497 /nfs/dbraw/zinc/01/54/97/618015497.db2.gz POTDFJYOYUKWMD-HIFRSBDPSA-N 2 2 275.421 2.536 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000926763092 618650015 /nfs/dbraw/zinc/65/00/15/618650015.db2.gz SEKQJJXOMBEZGH-ZFWWWQNUSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000926763092 618650018 /nfs/dbraw/zinc/65/00/18/618650018.db2.gz SEKQJJXOMBEZGH-ZFWWWQNUSA-N 2 2 263.429 2.921 20 30 CFEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000893607061 619091149 /nfs/dbraw/zinc/09/11/49/619091149.db2.gz TZWHYFFQIVJMKK-CQSZACIVSA-N 2 2 251.418 2.779 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925142564 619959641 /nfs/dbraw/zinc/95/96/41/619959641.db2.gz OLLHKUFIBYFDFD-NOLJZWGESA-N 2 2 287.407 2.787 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C#N)c1O ZINC000925142564 619959642 /nfs/dbraw/zinc/95/96/42/619959642.db2.gz OLLHKUFIBYFDFD-NOLJZWGESA-N 2 2 287.407 2.787 20 30 CFEDLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000902438302 621079849 /nfs/dbraw/zinc/07/98/49/621079849.db2.gz MFCDLVZXAHHVFX-JBBXEZCESA-N 2 2 277.371 2.834 20 30 CFEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902728300 621159223 /nfs/dbraw/zinc/15/92/23/621159223.db2.gz PPUGFKRKVAFTOT-LSDHHAIUSA-N 2 2 286.423 2.868 20 30 CFEDLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902728300 621159225 /nfs/dbraw/zinc/15/92/25/621159225.db2.gz PPUGFKRKVAFTOT-LSDHHAIUSA-N 2 2 286.423 2.868 20 30 CFEDLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000902742783 621163032 /nfs/dbraw/zinc/16/30/32/621163032.db2.gz YBXVNJKVPMVIRV-XJKSGUPXSA-N 2 2 268.364 2.884 20 30 CFEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902793915 621178161 /nfs/dbraw/zinc/17/81/61/621178161.db2.gz ORVIGBXWHUVMDO-ZBFHGGJFSA-N 2 2 286.423 2.724 20 30 CFEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902793915 621178163 /nfs/dbraw/zinc/17/81/63/621178163.db2.gz ORVIGBXWHUVMDO-ZBFHGGJFSA-N 2 2 286.423 2.724 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903091052 621249293 /nfs/dbraw/zinc/24/92/93/621249293.db2.gz MBTOMVIJMILPGG-KRWDZBQOSA-N 2 2 271.408 2.773 20 30 CFEDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903425121 621379786 /nfs/dbraw/zinc/37/97/86/621379786.db2.gz SZJISXYDTHBKAO-BXUZGUMPSA-N 2 2 277.799 2.771 20 30 CFEDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903425121 621379789 /nfs/dbraw/zinc/37/97/89/621379789.db2.gz SZJISXYDTHBKAO-BXUZGUMPSA-N 2 2 277.799 2.771 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000921610914 625993407 /nfs/dbraw/zinc/99/34/07/625993407.db2.gz ZTWYHLVGDSFPIU-ZDUSSCGKSA-N 2 2 282.391 2.798 20 30 CFEDLP N#Cc1cc(C[NH2+]CCCCNc2cccc[nH+]2)cs1 ZINC000921667403 626054625 /nfs/dbraw/zinc/05/46/25/626054625.db2.gz ORYAJMBUKUUYIP-UHFFFAOYSA-N 2 2 286.404 2.997 20 30 CFEDLP N#Cc1cc(C[NH2+]CCCNc2cccc[nH+]2)cs1 ZINC000921821645 626145401 /nfs/dbraw/zinc/14/54/01/626145401.db2.gz KUKSQDARYADRJK-UHFFFAOYSA-N 2 2 272.377 2.607 20 30 CFEDLP C#C[C@H](CC)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000809685833 626548886 /nfs/dbraw/zinc/54/88/86/626548886.db2.gz ULFGOPQBWUOREL-OAHLLOKOSA-N 2 2 285.435 2.723 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+]CC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000766276015 627190153 /nfs/dbraw/zinc/19/01/53/627190153.db2.gz ZYFDBYCNFIMYIG-HOTGVXAUSA-N 2 2 286.419 2.834 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+]CC[N@H+]2CCC[C@@H]2C)cc1 ZINC000766276015 627190154 /nfs/dbraw/zinc/19/01/54/627190154.db2.gz ZYFDBYCNFIMYIG-HOTGVXAUSA-N 2 2 286.419 2.834 20 30 CFEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(Cl)nc1 ZINC000776186913 628113581 /nfs/dbraw/zinc/11/35/81/628113581.db2.gz YMNACOHVTPMFSS-UHFFFAOYSA-N 2 2 275.743 2.642 20 30 CFEDLP c1cc2c3c(c1)C(=[NH+]NCC[NH+]1CCCCC1)CC[C@@H]3CN2 ZINC000814809029 632129529 /nfs/dbraw/zinc/12/95/29/632129529.db2.gz XHVHGJSCUSMACV-CQSZACIVSA-N 2 2 298.434 2.769 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872032967 641563172 /nfs/dbraw/zinc/56/31/72/641563172.db2.gz DEEZEXRPVUHQBG-HOTGVXAUSA-N 2 2 280.456 2.820 20 30 CFEDLP C=CC[C@@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000879062349 644129430 /nfs/dbraw/zinc/12/94/30/644129430.db2.gz TXGUWRAHHVGLBT-OAHLLOKOSA-N 2 2 266.429 2.528 20 30 CFEDLP C=CCC[C@@H](COc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000883165624 645634473 /nfs/dbraw/zinc/63/44/73/645634473.db2.gz IPALNMBZEAOPLS-INIZCTEOSA-N 2 2 285.391 2.887 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)[C@H]1CCCO1 ZINC000883194835 645655488 /nfs/dbraw/zinc/65/54/88/645655488.db2.gz DPXNIMLVJKMWDW-ARFHVFGLSA-N 2 2 298.496 2.527 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883387932 645785684 /nfs/dbraw/zinc/78/56/84/645785684.db2.gz ILMKMFIAAYLQCB-OIISXLGYSA-N 2 2 280.375 2.906 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874517 647164856 /nfs/dbraw/zinc/16/48/56/647164856.db2.gz PQKDJRXHLZXIII-KRWDZBQOSA-N 2 2 269.392 2.524 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874517 647164860 /nfs/dbraw/zinc/16/48/60/647164860.db2.gz PQKDJRXHLZXIII-KRWDZBQOSA-N 2 2 269.392 2.524 20 30 CFEDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1ccccc1C#N ZINC000887130295 647221762 /nfs/dbraw/zinc/22/17/62/647221762.db2.gz BAAFFPFGLAQHRE-HNNXBMFYSA-N 2 2 292.386 2.664 20 30 CFEDLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1C#N ZINC000887130295 647221763 /nfs/dbraw/zinc/22/17/63/647221763.db2.gz BAAFFPFGLAQHRE-HNNXBMFYSA-N 2 2 292.386 2.664 20 30 CFEDLP C=CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccncc1 ZINC000925498203 647858568 /nfs/dbraw/zinc/85/85/68/647858568.db2.gz NSJKVXCMRYDGEC-GJZGRUSLSA-N 2 2 257.381 2.573 20 30 CFEDLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1 ZINC000925710864 648291787 /nfs/dbraw/zinc/29/17/87/648291787.db2.gz CFSSVSSSRYOCRH-KSSFIOAISA-N 2 2 279.387 2.779 20 30 CFEDLP N#Cc1ccc(C2([NH2+][C@H]3CC[NH2+]C34CCC4)CCC2)cc1 ZINC000925714604 648293986 /nfs/dbraw/zinc/29/39/86/648293986.db2.gz SKDSHPUNBSKAEM-INIZCTEOSA-N 2 2 281.403 2.812 20 30 CFEDLP CSc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925774326 648317096 /nfs/dbraw/zinc/31/70/96/648317096.db2.gz ULXAHSQJIQPTLY-RISCZKNCSA-N 2 2 275.421 2.510 20 30 CFEDLP N#Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926681233 648573293 /nfs/dbraw/zinc/57/32/93/648573293.db2.gz XAJPIMYRAONMJI-MSOLQXFVSA-N 2 2 283.419 2.707 20 30 CFEDLP N#Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926681233 648573298 /nfs/dbraw/zinc/57/32/98/648573298.db2.gz XAJPIMYRAONMJI-MSOLQXFVSA-N 2 2 283.419 2.707 20 30 CFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N(C)C1CC1)c1ccsc1 ZINC000305810508 651083178 /nfs/dbraw/zinc/08/31/78/651083178.db2.gz IYVHRRNHUUKLMP-CQSZACIVSA-N 2 2 294.468 2.540 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001140542372 770861197 /nfs/dbraw/zinc/86/11/97/770861197.db2.gz ADXWJXXEYLEHOH-SFHVURJKSA-N 2 2 298.434 2.794 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cn1 ZINC001140542372 770861211 /nfs/dbraw/zinc/86/12/11/770861211.db2.gz ADXWJXXEYLEHOH-SFHVURJKSA-N 2 2 298.434 2.794 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000695787367 776011596 /nfs/dbraw/zinc/01/15/96/776011596.db2.gz MGZHPFJXJHDXNM-KGLIPLIRSA-N 2 2 251.418 2.779 20 30 CFEDLP CC(C)C[C@@](C)(C#N)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168312252 778422335 /nfs/dbraw/zinc/42/23/35/778422335.db2.gz MZVXUTDGKKOAMV-NRXISQOPSA-N 2 2 251.418 2.777 20 30 CFEDLP CCCCCCCC[N@H+](C)CC1=CS[C@H]([NH3+])N1 ZINC001235663402 778530491 /nfs/dbraw/zinc/53/04/91/778530491.db2.gz IZVLTKZPKNITPU-CYBMUJFWSA-N 2 2 257.447 2.699 20 30 CFEDLP CCCCCCCC[N@@H+](C)CC1=CS[C@H]([NH3+])N1 ZINC001235663402 778530495 /nfs/dbraw/zinc/53/04/95/778530495.db2.gz IZVLTKZPKNITPU-CYBMUJFWSA-N 2 2 257.447 2.699 20 30 CFEDLP C=CCCCCCCCC[N@@H+]1C[C@H](C(=O)OC)C[C@H]([NH3+])C1 ZINC001235778272 778557111 /nfs/dbraw/zinc/55/71/11/778557111.db2.gz WMLAYWGRPCWUIA-CVEARBPZSA-N 2 2 296.455 2.725 20 30 CFEDLP C=CCCCCCCCC[N@H+]1C[C@H](C(=O)OC)C[C@H]([NH3+])C1 ZINC001235778272 778557114 /nfs/dbraw/zinc/55/71/14/778557114.db2.gz WMLAYWGRPCWUIA-CVEARBPZSA-N 2 2 296.455 2.725 20 30 CFEDLP C=CCc1cccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)c1O ZINC001236007969 778652051 /nfs/dbraw/zinc/65/20/51/778652051.db2.gz ORQCVZWZGBJVRX-INIZCTEOSA-N 2 2 274.408 2.695 20 30 CFEDLP C=CCc1cccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)c1O ZINC001236007969 778652054 /nfs/dbraw/zinc/65/20/54/778652054.db2.gz ORQCVZWZGBJVRX-INIZCTEOSA-N 2 2 274.408 2.695 20 30 CFEDLP N#Cc1cccc(CCC[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)c1 ZINC001236216973 778741837 /nfs/dbraw/zinc/74/18/37/778741837.db2.gz ZPRCCANVBTYHTK-SFHVURJKSA-N 2 2 283.419 2.707 20 30 CFEDLP N#Cc1cccc(CCC[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)c1 ZINC001236216973 778741840 /nfs/dbraw/zinc/74/18/40/778741840.db2.gz ZPRCCANVBTYHTK-SFHVURJKSA-N 2 2 283.419 2.707 20 30 CFEDLP CN(C)/C=[NH+]/c1ccc(C2=CCC[NH2+]CC2)cc1C#N ZINC001238946784 779424026 /nfs/dbraw/zinc/42/40/26/779424026.db2.gz JQWOKLLMOHEGTG-XDHOZWIPSA-N 2 2 268.364 2.546 20 30 CFEDLP C[N@H+](Cc1cc(Cl)cc(C#N)c1)C1CC[NH+](C)CC1 ZINC001237753259 779716625 /nfs/dbraw/zinc/71/66/25/779716625.db2.gz QOPHPCKOEHEJKS-UHFFFAOYSA-N 2 2 277.799 2.738 20 30 CFEDLP C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CC[NH+](C)CC1 ZINC001237753259 779716633 /nfs/dbraw/zinc/71/66/33/779716633.db2.gz QOPHPCKOEHEJKS-UHFFFAOYSA-N 2 2 277.799 2.738 20 30 CFEDLP COC(=[NH2+])c1cccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240356343 780108167 /nfs/dbraw/zinc/10/81/67/780108167.db2.gz QGGVLQPJZWYVAG-UHFFFAOYSA-N 2 2 291.354 2.884 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](SC)C2)CC1 ZINC000921702141 780182066 /nfs/dbraw/zinc/18/20/66/780182066.db2.gz HCVNCRGJYBHWQJ-CABCVRRESA-N 2 2 268.470 2.901 20 30 CFEDLP C#CCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000091670793 780250967 /nfs/dbraw/zinc/25/09/67/780250967.db2.gz VMNODOGEZZYHBD-UHFFFAOYSA-N 2 2 286.419 2.615 20 30 CFEDLP CC(C)[C@H](C#N)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1 ZINC001168740950 780592758 /nfs/dbraw/zinc/59/27/58/780592758.db2.gz SUKJSDMXSNAGFX-INIZCTEOSA-N 2 2 299.422 2.544 20 30 CFEDLP Cc1cc(C#N)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001242478204 781532153 /nfs/dbraw/zinc/53/21/53/781532153.db2.gz UPUXNJNWTCDGFW-UHFFFAOYSA-N 2 2 288.354 2.868 20 30 CFEDLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(C#N)c1 ZINC000594930345 349515187 /nfs/dbraw/zinc/51/51/87/349515187.db2.gz VEYRACSRCNGFGM-GFCCVEGCSA-N 2 2 266.348 2.552 20 30 CFEDLP C[C@@H](CCC#N)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509831 349646653 /nfs/dbraw/zinc/64/66/53/349646653.db2.gz XANDRTWILYNDKK-HNNXBMFYSA-N 2 2 271.408 2.933 20 30 CFEDLP CC[NH+](CCC(C)CC[N@@H+](CC)[C@@H](C)C#N)[C@@H](C)C#N ZINC000595820441 349742099 /nfs/dbraw/zinc/74/20/99/349742099.db2.gz VHKIDSFSFPVOMF-HOTGVXAUSA-N 2 2 278.444 2.871 20 30 CFEDLP CC[NH+](CCC(C)CC[N@H+](CC)[C@@H](C)C#N)[C@@H](C)C#N ZINC000595820441 349742100 /nfs/dbraw/zinc/74/21/00/349742100.db2.gz VHKIDSFSFPVOMF-HOTGVXAUSA-N 2 2 278.444 2.871 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000091556297 347592984 /nfs/dbraw/zinc/59/29/84/347592984.db2.gz GUZFWZHLRPHCND-HNNXBMFYSA-N 2 2 289.423 2.957 20 30 CFEDLP N#Cc1cccc2c1C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000593730996 349315517 /nfs/dbraw/zinc/31/55/17/349315517.db2.gz RAPJIFZMWLWSEH-UHFFFAOYSA-N 2 2 289.382 2.720 20 30 CFEDLP N#Cc1cccc2c1C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000593730996 349315519 /nfs/dbraw/zinc/31/55/19/349315519.db2.gz RAPJIFZMWLWSEH-UHFFFAOYSA-N 2 2 289.382 2.720 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091334257 180136453 /nfs/dbraw/zinc/13/64/53/180136453.db2.gz AKIHDKINMMZJHQ-CQSZACIVSA-N 2 2 298.434 2.874 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000598895106 350345683 /nfs/dbraw/zinc/34/56/83/350345683.db2.gz SSMQTZQHLQQCRF-OAHLLOKOSA-N 2 2 287.407 2.621 20 30 CFEDLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1C#N ZINC000599338542 350417272 /nfs/dbraw/zinc/41/72/72/350417272.db2.gz CWOMZZYAKBEQOJ-OAHLLOKOSA-N 2 2 280.375 2.590 20 30 CFEDLP Cc1ccc(C[N@H+](CC[NH3+])CCc2ccccc2)cc1C#N ZINC000600709851 350598923 /nfs/dbraw/zinc/59/89/23/350598923.db2.gz KGLBFGRKKRYRIT-UHFFFAOYSA-N 2 2 293.414 2.870 20 30 CFEDLP Cc1ccc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1C#N ZINC000600709851 350598929 /nfs/dbraw/zinc/59/89/29/350598929.db2.gz KGLBFGRKKRYRIT-UHFFFAOYSA-N 2 2 293.414 2.870 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC000600711604 350600088 /nfs/dbraw/zinc/60/00/88/350600088.db2.gz SLGJPFBNGANTGE-RCBQFDQVSA-N 2 2 257.381 2.739 20 30 CFEDLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC000600711603 350600254 /nfs/dbraw/zinc/60/02/54/350600254.db2.gz SLGJPFBNGANTGE-MAZHCROVSA-N 2 2 257.381 2.739 20 30 CFEDLP CC(C)(C[NH2+]Cc1cccc(F)c1C#N)C[NH+]1CCCC1 ZINC000602017822 350833199 /nfs/dbraw/zinc/83/31/99/350833199.db2.gz RCVFCYAHVJQINJ-UHFFFAOYSA-N 2 2 289.398 2.909 20 30 CFEDLP CC(C)[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000601995559 350826039 /nfs/dbraw/zinc/82/60/39/350826039.db2.gz DXPKWIANAPDHSU-UHFFFAOYSA-N 2 2 275.371 2.660 20 30 CFEDLP CC[NH+](CC)CCC[NH2+]Cc1cccc(F)c1C#N ZINC000601998899 350826628 /nfs/dbraw/zinc/82/66/28/350826628.db2.gz QUMAGJGTUBQDGU-UHFFFAOYSA-N 2 2 263.360 2.519 20 30 CFEDLP N#CC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602499181 350906212 /nfs/dbraw/zinc/90/62/12/350906212.db2.gz OCJRFIULDKNFEQ-VJFUWPCTSA-N 2 2 283.419 2.933 20 30 CFEDLP N#CC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602499181 350906214 /nfs/dbraw/zinc/90/62/14/350906214.db2.gz OCJRFIULDKNFEQ-VJFUWPCTSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000602509314 350909775 /nfs/dbraw/zinc/90/97/75/350909775.db2.gz FOBMHCRLEKTNAN-HNNXBMFYSA-N 2 2 282.391 2.961 20 30 CFEDLP C[NH+](C)C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC000602515398 350911058 /nfs/dbraw/zinc/91/10/58/350911058.db2.gz XIZTWTNBQXWCCT-PREGVCBESA-N 2 2 271.408 2.961 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000602551556 350921621 /nfs/dbraw/zinc/92/16/21/350921621.db2.gz PDODYBDNOFKSJQ-HNNXBMFYSA-N 2 2 285.435 2.615 20 30 CFEDLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602564818 350926961 /nfs/dbraw/zinc/92/69/61/350926961.db2.gz OHVKRUKJCKSZQA-WXLSXGNJSA-N 2 2 263.429 2.921 20 30 CFEDLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C[C@H](C)CCC#N)CC2 ZINC000602476295 350896902 /nfs/dbraw/zinc/89/69/02/350896902.db2.gz MFOGVJJFUAJNEF-OAGGEKHMSA-N 2 2 263.429 2.873 20 30 CFEDLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C[C@H](C)CCC#N)CC2 ZINC000602476295 350896905 /nfs/dbraw/zinc/89/69/05/350896905.db2.gz MFOGVJJFUAJNEF-OAGGEKHMSA-N 2 2 263.429 2.873 20 30 CFEDLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@H](C)CCC#N)CC2 ZINC000602476295 350896907 /nfs/dbraw/zinc/89/69/07/350896907.db2.gz MFOGVJJFUAJNEF-OAGGEKHMSA-N 2 2 263.429 2.873 20 30 CFEDLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@H](C)CCC#N)CC2 ZINC000602476295 350896909 /nfs/dbraw/zinc/89/69/09/350896909.db2.gz MFOGVJJFUAJNEF-OAGGEKHMSA-N 2 2 263.429 2.873 20 30 CFEDLP C[NH+]1CCC2(CC[N@@H+]([C@H](C#N)c3ccccc3)C2)CC1 ZINC000602877731 351054575 /nfs/dbraw/zinc/05/45/75/351054575.db2.gz LLVKWGREYXMAKV-MRXNPFEDSA-N 2 2 269.392 2.669 20 30 CFEDLP C[NH+]1CCC2(CC[N@H+]([C@H](C#N)c3ccccc3)C2)CC1 ZINC000602877731 351054579 /nfs/dbraw/zinc/05/45/79/351054579.db2.gz LLVKWGREYXMAKV-MRXNPFEDSA-N 2 2 269.392 2.669 20 30 CFEDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602980607 351082031 /nfs/dbraw/zinc/08/20/31/351082031.db2.gz SFVJHJSVHRZBKJ-RDJZCZTQSA-N 2 2 280.375 2.996 20 30 CFEDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[C@H]1C#N ZINC000602980607 351082034 /nfs/dbraw/zinc/08/20/34/351082034.db2.gz SFVJHJSVHRZBKJ-RDJZCZTQSA-N 2 2 280.375 2.996 20 30 CFEDLP Cc1cc(N(C)CCCC[NH+]2CCCCC2)c(C#N)c[nH+]1 ZINC000603422673 351161130 /nfs/dbraw/zinc/16/11/30/351161130.db2.gz IAFZKRLEZAENGE-UHFFFAOYSA-N 2 2 286.423 2.964 20 30 CFEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610447658 351566343 /nfs/dbraw/zinc/56/63/43/351566343.db2.gz LYSPBFQEHLQRRU-AWEZNQCLSA-N 2 2 260.385 2.850 20 30 CFEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610447658 351566348 /nfs/dbraw/zinc/56/63/48/351566348.db2.gz LYSPBFQEHLQRRU-AWEZNQCLSA-N 2 2 260.385 2.850 20 30 CFEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000610447979 351568258 /nfs/dbraw/zinc/56/82/58/351568258.db2.gz WLSMBCKMURXOKO-CQSZACIVSA-N 2 2 251.418 2.779 20 30 CFEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000610447979 351568260 /nfs/dbraw/zinc/56/82/60/351568260.db2.gz WLSMBCKMURXOKO-CQSZACIVSA-N 2 2 251.418 2.779 20 30 CFEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393408 351681428 /nfs/dbraw/zinc/68/14/28/351681428.db2.gz FJZGIZTYUJMMLT-RDTXWAMCSA-N 2 2 283.419 2.867 20 30 CFEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393408 351681430 /nfs/dbraw/zinc/68/14/30/351681430.db2.gz FJZGIZTYUJMMLT-RDTXWAMCSA-N 2 2 283.419 2.867 20 30 CFEDLP CC1(C)C[C@H]([NH2+]CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000612194920 351787092 /nfs/dbraw/zinc/78/70/92/351787092.db2.gz GFASKMKRYJIDDW-INIZCTEOSA-N 2 2 271.408 2.933 20 30 CFEDLP CC1(C)C[C@H]([NH2+]CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000612194920 351787096 /nfs/dbraw/zinc/78/70/96/351787096.db2.gz GFASKMKRYJIDDW-INIZCTEOSA-N 2 2 271.408 2.933 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cn3ccccc3c2C#N)CC[N@@H+]1C ZINC000123849488 187111857 /nfs/dbraw/zinc/11/18/57/187111857.db2.gz STVHHYATZIQVTM-GDBMZVCRSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cn3ccccc3c2C#N)CC[N@H+]1C ZINC000123849488 187111858 /nfs/dbraw/zinc/11/18/58/187111858.db2.gz STVHHYATZIQVTM-GDBMZVCRSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn3ccccc3c2C#N)CC[NH+]1C ZINC000123849488 187111859 /nfs/dbraw/zinc/11/18/59/187111859.db2.gz STVHHYATZIQVTM-GDBMZVCRSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)CC[NH+]1C ZINC000123849488 187111860 /nfs/dbraw/zinc/11/18/60/187111860.db2.gz STVHHYATZIQVTM-GDBMZVCRSA-N 2 2 296.418 2.725 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000614637262 352107924 /nfs/dbraw/zinc/10/79/24/352107924.db2.gz AAZIDTFQFAZHSQ-DOTOQJQBSA-N 2 2 292.386 2.737 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000271575491 191223455 /nfs/dbraw/zinc/22/34/55/191223455.db2.gz QLGYTRVYUPQMCU-AWEZNQCLSA-N 2 2 259.397 2.691 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000618577752 352817265 /nfs/dbraw/zinc/81/72/65/352817265.db2.gz FCKREOQJZQBDAD-IIAWOOMASA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000618577752 352817267 /nfs/dbraw/zinc/81/72/67/352817267.db2.gz FCKREOQJZQBDAD-IIAWOOMASA-N 2 2 261.413 2.675 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000153022213 188059414 /nfs/dbraw/zinc/05/94/14/188059414.db2.gz MEJZZYXGNHFXTJ-ZDUSSCGKSA-N 2 2 277.387 2.912 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ncc(C)s2)CC1 ZINC000295194372 199399764 /nfs/dbraw/zinc/39/97/64/199399764.db2.gz OIELGBMMXBTFPH-UHFFFAOYSA-N 2 2 265.426 2.582 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)O)cc2)CC1 ZINC000295387407 199485331 /nfs/dbraw/zinc/48/53/31/199485331.db2.gz KXEYRMBCQKDEHR-UHFFFAOYSA-N 2 2 288.435 2.654 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176965249 189017502 /nfs/dbraw/zinc/01/75/02/189017502.db2.gz VTAJFSWDFDCVHN-UHFFFAOYSA-N 2 2 275.421 2.750 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000177313547 189043314 /nfs/dbraw/zinc/04/33/14/189043314.db2.gz HCJZQHBOORFIPM-AWEZNQCLSA-N 2 2 274.408 2.996 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000574410390 335017608 /nfs/dbraw/zinc/01/76/08/335017608.db2.gz JFVNJZSVCNVUNA-KZNAEPCWSA-N 2 2 295.430 2.790 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000574410390 335017609 /nfs/dbraw/zinc/01/76/09/335017609.db2.gz JFVNJZSVCNVUNA-KZNAEPCWSA-N 2 2 295.430 2.790 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C#N)[C@H](C)C1 ZINC000081095175 374686427 /nfs/dbraw/zinc/68/64/27/374686427.db2.gz QCIJVQBAFBPZLC-PBHICJAKSA-N 2 2 271.408 2.720 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C#N)[C@H](C)C1 ZINC000081095175 374686430 /nfs/dbraw/zinc/68/64/30/374686430.db2.gz QCIJVQBAFBPZLC-PBHICJAKSA-N 2 2 271.408 2.720 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C#N)[C@H](C)C1 ZINC000081095175 374686436 /nfs/dbraw/zinc/68/64/36/374686436.db2.gz QCIJVQBAFBPZLC-PBHICJAKSA-N 2 2 271.408 2.720 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)[C@H](C)C1 ZINC000081095175 374686438 /nfs/dbraw/zinc/68/64/38/374686438.db2.gz QCIJVQBAFBPZLC-PBHICJAKSA-N 2 2 271.408 2.720 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC[NH+](CC(C)(C)CCC#N)CC2)CCO1 ZINC000092091311 375088401 /nfs/dbraw/zinc/08/84/01/375088401.db2.gz VODBCSSHMIRYGM-OAHLLOKOSA-N 2 2 293.455 2.501 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC[NH+](CC(C)(C)CCC#N)CC2)CCO1 ZINC000092091311 375088404 /nfs/dbraw/zinc/08/84/04/375088404.db2.gz VODBCSSHMIRYGM-OAHLLOKOSA-N 2 2 293.455 2.501 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccnc2)CC1 ZINC000092746989 375148928 /nfs/dbraw/zinc/14/89/28/375148928.db2.gz MBBFLMBTAKGMEL-AWEZNQCLSA-N 2 2 259.397 2.773 20 30 CFEDLP N#Cc1csc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683824 375293582 /nfs/dbraw/zinc/29/35/82/375293582.db2.gz JLDKZZWKCAYTFP-CQSZACIVSA-N 2 2 289.448 2.928 20 30 CFEDLP N#Cc1csc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683824 375293587 /nfs/dbraw/zinc/29/35/87/375293587.db2.gz JLDKZZWKCAYTFP-CQSZACIVSA-N 2 2 289.448 2.928 20 30 CFEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121584162 376863573 /nfs/dbraw/zinc/86/35/73/376863573.db2.gz UQPCGLZJVSMCEC-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121584162 376863579 /nfs/dbraw/zinc/86/35/79/376863579.db2.gz UQPCGLZJVSMCEC-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121584162 376863587 /nfs/dbraw/zinc/86/35/87/376863587.db2.gz UQPCGLZJVSMCEC-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000121584162 376863590 /nfs/dbraw/zinc/86/35/90/376863590.db2.gz UQPCGLZJVSMCEC-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000127603759 377289775 /nfs/dbraw/zinc/28/97/75/377289775.db2.gz ACRYBZNZIUUPAX-ZVOPMHIBSA-N 2 2 295.430 2.825 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000127603759 377289782 /nfs/dbraw/zinc/28/97/82/377289782.db2.gz ACRYBZNZIUUPAX-ZVOPMHIBSA-N 2 2 295.430 2.825 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000127603975 377291096 /nfs/dbraw/zinc/29/10/96/377291096.db2.gz ACRYBZNZIUUPAX-CDRDHLPWSA-N 2 2 295.430 2.825 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C[N@H+]1C1CC1 ZINC000127603975 377291104 /nfs/dbraw/zinc/29/11/04/377291104.db2.gz ACRYBZNZIUUPAX-CDRDHLPWSA-N 2 2 295.430 2.825 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000133614860 377943162 /nfs/dbraw/zinc/94/31/62/377943162.db2.gz CQTNZFHCBQITBE-UHFFFAOYSA-N 2 2 269.392 2.522 20 30 CFEDLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000278284283 193898260 /nfs/dbraw/zinc/89/82/60/193898260.db2.gz QFLKNSOBABBTCC-MRXNPFEDSA-N 2 2 268.364 2.886 20 30 CFEDLP C=C(Br)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136090895 378179446 /nfs/dbraw/zinc/17/94/46/378179446.db2.gz HFTRLDICYSIYCQ-PWSUYJOCSA-N 2 2 284.201 2.675 20 30 CFEDLP C=C(Br)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136090895 378179449 /nfs/dbraw/zinc/17/94/49/378179449.db2.gz HFTRLDICYSIYCQ-PWSUYJOCSA-N 2 2 284.201 2.675 20 30 CFEDLP CC(C)(C#N)CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330365966 378538117 /nfs/dbraw/zinc/53/81/17/378538117.db2.gz UZVVXIBEFBJILO-UHFFFAOYSA-N 2 2 260.385 2.919 20 30 CFEDLP C[N@H+](Cc1ccc(F)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335427455 379277973 /nfs/dbraw/zinc/27/79/73/379277973.db2.gz NAYGBBPHIPOBGX-SJPCQFCGSA-N 2 2 287.382 2.754 20 30 CFEDLP C[N@@H+](Cc1ccc(F)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335427455 379277980 /nfs/dbraw/zinc/27/79/80/379277980.db2.gz NAYGBBPHIPOBGX-SJPCQFCGSA-N 2 2 287.382 2.754 20 30 CFEDLP C[NH+](Cc1ccc(F)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335427455 379277984 /nfs/dbraw/zinc/27/79/84/379277984.db2.gz NAYGBBPHIPOBGX-SJPCQFCGSA-N 2 2 287.382 2.754 20 30 CFEDLP C[NH+](Cc1ccc(F)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335427455 379277988 /nfs/dbraw/zinc/27/79/88/379277988.db2.gz NAYGBBPHIPOBGX-SJPCQFCGSA-N 2 2 287.382 2.754 20 30 CFEDLP Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C#N ZINC000335749598 379827952 /nfs/dbraw/zinc/82/79/52/379827952.db2.gz KEFAYMHTPFBCFJ-INIZCTEOSA-N 2 2 280.375 2.969 20 30 CFEDLP Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1C#N ZINC000335749598 379827960 /nfs/dbraw/zinc/82/79/60/379827960.db2.gz KEFAYMHTPFBCFJ-INIZCTEOSA-N 2 2 280.375 2.969 20 30 CFEDLP Cc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)ccc1C#N ZINC000335843446 379980636 /nfs/dbraw/zinc/98/06/36/379980636.db2.gz FDMMSCSAMAVQDY-UHFFFAOYSA-N 2 2 283.419 2.927 20 30 CFEDLP Cc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)ccc1C#N ZINC000335843446 379980640 /nfs/dbraw/zinc/98/06/40/379980640.db2.gz FDMMSCSAMAVQDY-UHFFFAOYSA-N 2 2 283.419 2.927 20 30 CFEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(C#N)c3F)C2)C1 ZINC000335895667 380067334 /nfs/dbraw/zinc/06/73/34/380067334.db2.gz MXCFZNJQYCHERC-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(C#N)c3F)C2)C1 ZINC000335895667 380067341 /nfs/dbraw/zinc/06/73/41/380067341.db2.gz MXCFZNJQYCHERC-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC000335895667 380067344 /nfs/dbraw/zinc/06/73/44/380067344.db2.gz MXCFZNJQYCHERC-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(C#N)c3F)C2)C1 ZINC000335895667 380067350 /nfs/dbraw/zinc/06/73/50/380067350.db2.gz MXCFZNJQYCHERC-KRWDZBQOSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1csc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000177695510 380369482 /nfs/dbraw/zinc/36/94/82/380369482.db2.gz LWOONHFUNWNKNU-UHFFFAOYSA-N 2 2 286.404 2.997 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000178054475 380406037 /nfs/dbraw/zinc/40/60/37/380406037.db2.gz NMRFGGUBZWSYLF-DOTOQJQBSA-N 2 2 256.393 2.652 20 30 CFEDLP C#CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000178054475 380406040 /nfs/dbraw/zinc/40/60/40/380406040.db2.gz NMRFGGUBZWSYLF-DOTOQJQBSA-N 2 2 256.393 2.652 20 30 CFEDLP C[C@@H]([NH2+]CCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180660581 380688300 /nfs/dbraw/zinc/68/83/00/380688300.db2.gz CMDUGQKTYUWSRS-CYBMUJFWSA-N 2 2 254.337 2.827 20 30 CFEDLP C[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353797641 380858510 /nfs/dbraw/zinc/85/85/10/380858510.db2.gz SOSIZIMGYFIKHT-KSSFIOAISA-N 2 2 283.419 2.911 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368099215 380921415 /nfs/dbraw/zinc/92/14/15/380921415.db2.gz DZHSVQOXIGDCLZ-ZFWWWQNUSA-N 2 2 295.386 2.630 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368099215 380921417 /nfs/dbraw/zinc/92/14/17/380921417.db2.gz DZHSVQOXIGDCLZ-ZFWWWQNUSA-N 2 2 295.386 2.630 20 30 CFEDLP C=C(CC)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000358626197 380976708 /nfs/dbraw/zinc/97/67/08/380976708.db2.gz QDJVKOOUCGZBCO-UHFFFAOYSA-N 2 2 288.439 2.997 20 30 CFEDLP Cc1ccc2[nH+]cc(C[NH2+]CCc3cccc(C#N)c3)n2c1 ZINC000341472569 381032377 /nfs/dbraw/zinc/03/23/77/381032377.db2.gz CPRHYGOPHRHANO-UHFFFAOYSA-N 2 2 290.370 2.847 20 30 CFEDLP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000368481562 381040029 /nfs/dbraw/zinc/04/00/29/381040029.db2.gz HRYPSNBVCQXHOD-MSOLQXFVSA-N 2 2 268.404 2.749 20 30 CFEDLP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000368481562 381040039 /nfs/dbraw/zinc/04/00/39/381040039.db2.gz HRYPSNBVCQXHOD-MSOLQXFVSA-N 2 2 268.404 2.749 20 30 CFEDLP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368481562 381040045 /nfs/dbraw/zinc/04/00/45/381040045.db2.gz HRYPSNBVCQXHOD-MSOLQXFVSA-N 2 2 268.404 2.749 20 30 CFEDLP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368481562 381040054 /nfs/dbraw/zinc/04/00/54/381040054.db2.gz HRYPSNBVCQXHOD-MSOLQXFVSA-N 2 2 268.404 2.749 20 30 CFEDLP C#CC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000182699499 381141414 /nfs/dbraw/zinc/14/14/14/381141414.db2.gz CBHIQIBLJULIKL-GOSISDBHSA-N 2 2 279.387 2.896 20 30 CFEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000182699499 381141418 /nfs/dbraw/zinc/14/14/18/381141418.db2.gz CBHIQIBLJULIKL-GOSISDBHSA-N 2 2 279.387 2.896 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000354332332 381208140 /nfs/dbraw/zinc/20/81/40/381208140.db2.gz UTEMRWUYIFGKGC-UHFFFAOYSA-N 3 2 287.451 2.953 20 30 CFEDLP Cc1ccc[nH+]c1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000342725867 381501176 /nfs/dbraw/zinc/50/11/76/381501176.db2.gz JLEGPLDSCGTDBW-UHFFFAOYSA-N 2 2 263.304 2.522 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000414298429 381576335 /nfs/dbraw/zinc/57/63/35/381576335.db2.gz INJAIMNWTJOHPQ-UAGQMJEPSA-N 2 2 258.409 2.714 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000414298429 381576339 /nfs/dbraw/zinc/57/63/39/381576339.db2.gz INJAIMNWTJOHPQ-UAGQMJEPSA-N 2 2 258.409 2.714 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccco1 ZINC000414127877 381562502 /nfs/dbraw/zinc/56/25/02/381562502.db2.gz QPWANWYCPSVWNH-CQSZACIVSA-N 2 2 259.353 2.853 20 30 CFEDLP Cc1cc[nH+]cc1N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000343664953 381876149 /nfs/dbraw/zinc/87/61/49/381876149.db2.gz CYZIFBSAXXCDRI-UHFFFAOYSA-N 2 2 286.423 2.842 20 30 CFEDLP C=CC[N@@H+](CCOC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361632252 381851219 /nfs/dbraw/zinc/85/12/19/381851219.db2.gz RYXQCVDUIYFLLO-UHFFFAOYSA-N 2 2 277.393 2.568 20 30 CFEDLP C=CC[N@H+](CCOC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361632252 381851225 /nfs/dbraw/zinc/85/12/25/381851225.db2.gz RYXQCVDUIYFLLO-UHFFFAOYSA-N 2 2 277.393 2.568 20 30 CFEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)[nH+]1 ZINC000362086705 381903143 /nfs/dbraw/zinc/90/31/43/381903143.db2.gz MWQQLUPDICABFD-CQSZACIVSA-N 2 2 296.374 2.931 20 30 CFEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)[nH+]1 ZINC000362086705 381903149 /nfs/dbraw/zinc/90/31/49/381903149.db2.gz MWQQLUPDICABFD-CQSZACIVSA-N 2 2 296.374 2.931 20 30 CFEDLP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203366 381947342 /nfs/dbraw/zinc/94/73/42/381947342.db2.gz FVNNQTOJNSRZCR-OWLYRPNTSA-N 2 2 298.434 2.746 20 30 CFEDLP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000373203366 381947347 /nfs/dbraw/zinc/94/73/47/381947347.db2.gz FVNNQTOJNSRZCR-OWLYRPNTSA-N 2 2 298.434 2.746 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ncc(CC)s2)CC1 ZINC000344070943 382107081 /nfs/dbraw/zinc/10/70/81/382107081.db2.gz MWHSFMYACGSNLM-UHFFFAOYSA-N 2 2 279.453 2.836 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000375466570 382087993 /nfs/dbraw/zinc/08/79/93/382087993.db2.gz FCNOGXLWHJFVLY-RYQLBKOJSA-N 2 2 292.467 2.822 20 30 CFEDLP N#CCCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344106017 382132293 /nfs/dbraw/zinc/13/22/93/382132293.db2.gz IDZQLBDBXVQSQT-UHFFFAOYSA-N 2 2 260.366 2.717 20 30 CFEDLP C=C1CC[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000420903562 382491366 /nfs/dbraw/zinc/49/13/66/382491366.db2.gz AVNGGBHNKMTJDZ-UHFFFAOYSA-N 2 2 286.419 2.671 20 30 CFEDLP C=C(C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000346777070 382506688 /nfs/dbraw/zinc/50/66/88/382506688.db2.gz JUEOCDPOHDKSOM-PBHICJAKSA-N 2 2 256.393 2.772 20 30 CFEDLP C=C(C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000346777070 382506693 /nfs/dbraw/zinc/50/66/93/382506693.db2.gz JUEOCDPOHDKSOM-PBHICJAKSA-N 2 2 256.393 2.772 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353391536 382541916 /nfs/dbraw/zinc/54/19/16/382541916.db2.gz XNAUVLSADTYGBZ-GOSISDBHSA-N 2 2 281.403 2.786 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000353390461 382542009 /nfs/dbraw/zinc/54/20/09/382542009.db2.gz USVGOZNLFVYOIG-KURKYZTESA-N 2 2 281.403 2.762 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000353390461 382542015 /nfs/dbraw/zinc/54/20/15/382542015.db2.gz USVGOZNLFVYOIG-KURKYZTESA-N 2 2 281.403 2.762 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000578398181 382917549 /nfs/dbraw/zinc/91/75/49/382917549.db2.gz GBWHSHZWACKANY-DOTOQJQBSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000578398181 382917553 /nfs/dbraw/zinc/91/75/53/382917553.db2.gz GBWHSHZWACKANY-DOTOQJQBSA-N 2 2 283.419 2.933 20 30 CFEDLP CC#CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246791937 383104905 /nfs/dbraw/zinc/10/49/05/383104905.db2.gz PBPRVXMSYZSYQX-WMZOPIPTSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246791937 383104909 /nfs/dbraw/zinc/10/49/09/383104909.db2.gz PBPRVXMSYZSYQX-WMZOPIPTSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246791937 383104913 /nfs/dbraw/zinc/10/49/13/383104913.db2.gz PBPRVXMSYZSYQX-WMZOPIPTSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246791937 383104917 /nfs/dbraw/zinc/10/49/17/383104917.db2.gz PBPRVXMSYZSYQX-WMZOPIPTSA-N 2 2 270.420 2.995 20 30 CFEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Cn1cc[nH+]c1 ZINC000449102703 383175844 /nfs/dbraw/zinc/17/58/44/383175844.db2.gz KZZMDXZHYRNLDW-NFOMZHRRSA-N 2 2 260.385 2.581 20 30 CFEDLP Cc1cc(NCCCC[N@H+]2CCC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425205950 383340128 /nfs/dbraw/zinc/34/01/28/383340128.db2.gz KCMIGCPNQINTIB-AWEZNQCLSA-N 2 2 286.423 2.608 20 30 CFEDLP Cc1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)c(C#N)c[nH+]1 ZINC000425205950 383340132 /nfs/dbraw/zinc/34/01/32/383340132.db2.gz KCMIGCPNQINTIB-AWEZNQCLSA-N 2 2 286.423 2.608 20 30 CFEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+]1CCC(C)CC1 ZINC000248725399 383285318 /nfs/dbraw/zinc/28/53/18/383285318.db2.gz CRZQSPRUOZFWIP-OAGGEKHMSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248740231 383286504 /nfs/dbraw/zinc/28/65/04/383286504.db2.gz DZEZJLCMXZEMNW-LVQVYYBASA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000248740231 383286509 /nfs/dbraw/zinc/28/65/09/383286509.db2.gz DZEZJLCMXZEMNW-LVQVYYBASA-N 2 2 263.429 2.779 20 30 CFEDLP CC[C@H](C)[NH2+][C@@H](CNc1cc(C)[nH+]cc1C#N)c1ccco1 ZINC000425255898 383350849 /nfs/dbraw/zinc/35/08/49/383350849.db2.gz QNAYAQDZGFQJMT-LRDDRELGSA-N 2 2 298.390 2.818 20 30 CFEDLP CC(C[NH+](C)CC(C)(C)C#N)C[N@H+](C)CC(C)(C)C#N ZINC000433313173 383760061 /nfs/dbraw/zinc/76/00/61/383760061.db2.gz OYCWHDXWKRQEEL-UHFFFAOYSA-N 2 2 278.444 2.586 20 30 CFEDLP CC(C[NH+](C)CC(C)(C)C#N)C[N@@H+](C)CC(C)(C)C#N ZINC000433313173 383760066 /nfs/dbraw/zinc/76/00/66/383760066.db2.gz OYCWHDXWKRQEEL-UHFFFAOYSA-N 2 2 278.444 2.586 20 30 CFEDLP N#CC1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CCC1 ZINC000572949753 383845113 /nfs/dbraw/zinc/84/51/13/383845113.db2.gz WGZUNBGNIHLKDS-UHFFFAOYSA-N 2 2 270.380 2.652 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)C1CC1 ZINC000438977252 384029685 /nfs/dbraw/zinc/02/96/85/384029685.db2.gz KEIYOGVTSFWIDZ-GJZGRUSLSA-N 2 2 268.470 2.758 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2nc3ccccc3o2)CC1 ZINC000638524684 384722409 /nfs/dbraw/zinc/72/24/09/384722409.db2.gz RBGLJVBWTDBFPJ-UHFFFAOYSA-N 2 2 271.364 2.568 20 30 CFEDLP Cc1ccc(NC(=[NH2+])NCCc2cc[nH+]cc2C)cc1C ZINC000269945627 384914878 /nfs/dbraw/zinc/91/48/78/384914878.db2.gz HOFUEWDWANOBBT-UHFFFAOYSA-N 2 2 282.391 2.976 20 30 CFEDLP CC1(C)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000272059405 385438713 /nfs/dbraw/zinc/43/87/13/385438713.db2.gz OWUJDYCDBYXHKS-KRWDZBQOSA-N 2 2 283.419 2.911 20 30 CFEDLP C#CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000272049368 385435677 /nfs/dbraw/zinc/43/56/77/385435677.db2.gz QBEVRWBBNJDQII-INIZCTEOSA-N 2 2 253.349 2.627 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000272208394 385475017 /nfs/dbraw/zinc/47/50/17/385475017.db2.gz KGSOZODKSUPHSC-CZUORRHYSA-N 2 2 269.392 2.620 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000272208394 385475019 /nfs/dbraw/zinc/47/50/19/385475019.db2.gz KGSOZODKSUPHSC-CZUORRHYSA-N 2 2 269.392 2.620 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683007385 542626246 /nfs/dbraw/zinc/62/62/46/542626246.db2.gz VOZFCUZQRSNTLS-KRWDZBQOSA-N 2 2 265.360 2.572 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683007385 542626248 /nfs/dbraw/zinc/62/62/48/542626248.db2.gz VOZFCUZQRSNTLS-KRWDZBQOSA-N 2 2 265.360 2.572 20 30 CFEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C2 ZINC000333115761 393564501 /nfs/dbraw/zinc/56/45/01/393564501.db2.gz UBLRDZWLTAGIBQ-MJBXVCDLSA-N 2 2 286.423 2.777 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194299536 393688763 /nfs/dbraw/zinc/68/87/63/393688763.db2.gz RLTSAQUGNAYVMH-UHFFFAOYSA-N 2 2 274.408 2.744 20 30 CFEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC3(C#N)CC3)C2)CC1 ZINC000343319050 393883938 /nfs/dbraw/zinc/88/39/38/393883938.db2.gz IIXYEUWDQINRJI-INIZCTEOSA-N 2 2 275.440 2.734 20 30 CFEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)CC1 ZINC000343319050 393883942 /nfs/dbraw/zinc/88/39/42/393883942.db2.gz IIXYEUWDQINRJI-INIZCTEOSA-N 2 2 275.440 2.734 20 30 CFEDLP COCC#CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000684620260 542838385 /nfs/dbraw/zinc/83/83/85/542838385.db2.gz CLOPNPGKGXIETL-UHFFFAOYSA-N 2 2 297.402 2.631 20 30 CFEDLP C[C@H](C#N)C[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346171643 393922504 /nfs/dbraw/zinc/92/25/04/393922504.db2.gz ACJVMEMYBBTYEY-LLVKDONJSA-N 2 2 260.366 2.525 20 30 CFEDLP C[C@H](C#N)C[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346171643 393922507 /nfs/dbraw/zinc/92/25/07/393922507.db2.gz ACJVMEMYBBTYEY-LLVKDONJSA-N 2 2 260.366 2.525 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269616225 394004950 /nfs/dbraw/zinc/00/49/50/394004950.db2.gz GQOYECHYKCDYMS-HNNXBMFYSA-N 2 2 283.350 2.780 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000269616225 394004959 /nfs/dbraw/zinc/00/49/59/394004959.db2.gz GQOYECHYKCDYMS-HNNXBMFYSA-N 2 2 283.350 2.780 20 30 CFEDLP C=C(C)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282015670 394110556 /nfs/dbraw/zinc/11/05/56/394110556.db2.gz JXEYBVANMMNZKF-CQSZACIVSA-N 2 2 259.397 2.975 20 30 CFEDLP C=C(C)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282015670 394110558 /nfs/dbraw/zinc/11/05/58/394110558.db2.gz JXEYBVANMMNZKF-CQSZACIVSA-N 2 2 259.397 2.975 20 30 CFEDLP C=CCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000448026354 394154835 /nfs/dbraw/zinc/15/48/35/394154835.db2.gz HXNGXOXVBQUIKX-UHFFFAOYSA-N 2 2 259.397 2.602 20 30 CFEDLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1C#N ZINC000527812314 394412103 /nfs/dbraw/zinc/41/21/03/394412103.db2.gz ZULLEMIOKNAMAZ-KRWDZBQOSA-N 2 2 299.418 2.673 20 30 CFEDLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1C#N ZINC000527812314 394412104 /nfs/dbraw/zinc/41/21/04/394412104.db2.gz ZULLEMIOKNAMAZ-KRWDZBQOSA-N 2 2 299.418 2.673 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000546588972 394831204 /nfs/dbraw/zinc/83/12/04/394831204.db2.gz KERPIMKQYJBBRD-CZUORRHYSA-N 2 2 280.375 2.842 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000546588972 394831207 /nfs/dbraw/zinc/83/12/07/394831207.db2.gz KERPIMKQYJBBRD-CZUORRHYSA-N 2 2 280.375 2.842 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000373812075 157032571 /nfs/dbraw/zinc/03/25/71/157032571.db2.gz KEAYAOAUWYYWBQ-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000373812075 157032574 /nfs/dbraw/zinc/03/25/74/157032574.db2.gz KEAYAOAUWYYWBQ-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000373812075 157032576 /nfs/dbraw/zinc/03/25/76/157032576.db2.gz KEAYAOAUWYYWBQ-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000373812075 157032577 /nfs/dbraw/zinc/03/25/77/157032577.db2.gz KEAYAOAUWYYWBQ-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP C[N@H+](Cc1cc(C#N)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285486432 196300100 /nfs/dbraw/zinc/30/01/00/196300100.db2.gz LSGUWNPZLXIMAC-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C[N@@H+](Cc1cc(C#N)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285486432 196300101 /nfs/dbraw/zinc/30/01/01/196300101.db2.gz LSGUWNPZLXIMAC-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C[NH+](Cc1cc(C#N)ccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285486432 196300103 /nfs/dbraw/zinc/30/01/03/196300103.db2.gz LSGUWNPZLXIMAC-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C[NH+](Cc1cc(C#N)ccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285486432 196300104 /nfs/dbraw/zinc/30/01/04/196300104.db2.gz LSGUWNPZLXIMAC-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C=CCOCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657658894 413827486 /nfs/dbraw/zinc/82/74/86/413827486.db2.gz JGLAEFULAIWALE-UHFFFAOYSA-N 2 2 294.361 2.586 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000657658385 413828474 /nfs/dbraw/zinc/82/84/74/413828474.db2.gz VISJECMDHBTFCY-WMZOPIPTSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000657658385 413828486 /nfs/dbraw/zinc/82/84/86/413828486.db2.gz VISJECMDHBTFCY-WMZOPIPTSA-N 2 2 288.435 2.832 20 30 CFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000657753277 413906995 /nfs/dbraw/zinc/90/69/95/413906995.db2.gz WDOYPQLOWVLDKX-OIISXLGYSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000657890668 414033543 /nfs/dbraw/zinc/03/35/43/414033543.db2.gz LWODZSOPJVUERD-GVDBMIGSSA-N 2 2 280.456 2.679 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000658026448 414112863 /nfs/dbraw/zinc/11/28/63/414112863.db2.gz UOLXHMSDSCPZPQ-IXDOHACOSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000658026448 414112875 /nfs/dbraw/zinc/11/28/75/414112875.db2.gz UOLXHMSDSCPZPQ-IXDOHACOSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@]1(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)CCC[NH2+]1 ZINC000662686811 414591410 /nfs/dbraw/zinc/59/14/10/414591410.db2.gz RBOSNILZUXNJRB-KRWDZBQOSA-N 2 2 296.374 2.509 20 30 CFEDLP C=CC[C@@]1(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)CCC[NH2+]1 ZINC000662746058 414604478 /nfs/dbraw/zinc/60/44/78/414604478.db2.gz IWZVTUHFSMHWCR-KRWDZBQOSA-N 2 2 298.390 2.519 20 30 CFEDLP N#CCCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557033 260182606 /nfs/dbraw/zinc/18/26/06/260182606.db2.gz CUDGUWHDNZSIOP-KRWDZBQOSA-N 2 2 271.408 2.934 20 30 CFEDLP N#CCCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081557033 260182608 /nfs/dbraw/zinc/18/26/08/260182608.db2.gz CUDGUWHDNZSIOP-KRWDZBQOSA-N 2 2 271.408 2.934 20 30 CFEDLP N#C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000192697132 262209072 /nfs/dbraw/zinc/20/90/72/262209072.db2.gz USIPUPBCGORADM-WMZOPIPTSA-N 2 2 298.434 2.718 20 30 CFEDLP C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000320206427 262634227 /nfs/dbraw/zinc/63/42/27/262634227.db2.gz DNLCAPFZERRQMS-HOCLYGCPSA-N 2 2 285.391 2.850 20 30 CFEDLP C[C@H]([NH2+]CCCC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000271976532 263000904 /nfs/dbraw/zinc/00/09/04/263000904.db2.gz IPLALWBAVPQMCG-ZDUSSCGKSA-N 2 2 254.337 2.827 20 30 CFEDLP Cc1[nH+]cc(C[NH2+]CCCC#N)n1-c1ccccc1 ZINC000273046278 263011524 /nfs/dbraw/zinc/01/15/24/263011524.db2.gz JJXGXXUKAZLFOH-UHFFFAOYSA-N 2 2 254.337 2.574 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000414765391 263040771 /nfs/dbraw/zinc/04/07/71/263040771.db2.gz FUDINDKVCMGUTL-ZBFHGGJFSA-N 2 2 274.408 2.811 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000414765391 263040772 /nfs/dbraw/zinc/04/07/72/263040772.db2.gz FUDINDKVCMGUTL-ZBFHGGJFSA-N 2 2 274.408 2.811 20 30 CFEDLP C[N@@H+]1CC[C@H]([NH2+]CCCSCC#N)[C@H]1c1ccccc1 ZINC000289459972 263110290 /nfs/dbraw/zinc/11/02/90/263110290.db2.gz VTNSWJOGQHBAJM-JKSUJKDBSA-N 2 2 289.448 2.668 20 30 CFEDLP C[N@H+]1CC[C@H]([NH2+]CCCSCC#N)[C@H]1c1ccccc1 ZINC000289459972 263110291 /nfs/dbraw/zinc/11/02/91/263110291.db2.gz VTNSWJOGQHBAJM-JKSUJKDBSA-N 2 2 289.448 2.668 20 30 CFEDLP C[C@H](CCC#N)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000298456412 263220098 /nfs/dbraw/zinc/22/00/98/263220098.db2.gz HTZVHWFYGQMWSA-FVQBIDKESA-N 2 2 257.381 2.714 20 30 CFEDLP C[C@H](CCC#N)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000298456412 263220100 /nfs/dbraw/zinc/22/01/00/263220100.db2.gz HTZVHWFYGQMWSA-FVQBIDKESA-N 2 2 257.381 2.714 20 30 CFEDLP C[C@H](CCC#N)[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000298456410 263220150 /nfs/dbraw/zinc/22/01/50/263220150.db2.gz HTZVHWFYGQMWSA-BMFZPTHFSA-N 2 2 257.381 2.714 20 30 CFEDLP C[C@H](CCC#N)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000298456410 263220151 /nfs/dbraw/zinc/22/01/51/263220151.db2.gz HTZVHWFYGQMWSA-BMFZPTHFSA-N 2 2 257.381 2.714 20 30 CFEDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC#N ZINC000299217062 263235662 /nfs/dbraw/zinc/23/56/62/263235662.db2.gz HKNSCJXTROIIQJ-HUUCEWRRSA-N 2 2 271.408 2.646 20 30 CFEDLP C=CCCCCC[NH+]1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000368472977 267174827 /nfs/dbraw/zinc/17/48/27/267174827.db2.gz CECJDYUNMHJMSE-DLBZAZTESA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[NH+]1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000368472977 267174829 /nfs/dbraw/zinc/17/48/29/267174829.db2.gz CECJDYUNMHJMSE-DLBZAZTESA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[N@H+]1CCC[C@H]1C[NH+]1CCC[C@@H]1CO ZINC000368472977 267174832 /nfs/dbraw/zinc/17/48/32/267174832.db2.gz CECJDYUNMHJMSE-DLBZAZTESA-N 2 2 280.456 2.654 20 30 CFEDLP C=CCCCCC[N@@H+]1CCC[C@H]1C[NH+]1CCC[C@@H]1CO ZINC000368472977 267174834 /nfs/dbraw/zinc/17/48/34/267174834.db2.gz CECJDYUNMHJMSE-DLBZAZTESA-N 2 2 280.456 2.654 20 30 CFEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCCC#N)[nH+]1 ZINC000369899093 267275023 /nfs/dbraw/zinc/27/50/23/267275023.db2.gz DRGFOWZHUSRQLE-CQSZACIVSA-N 2 2 258.369 2.570 20 30 CFEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCCC#N)[nH+]1 ZINC000369899093 267275024 /nfs/dbraw/zinc/27/50/24/267275024.db2.gz DRGFOWZHUSRQLE-CQSZACIVSA-N 2 2 258.369 2.570 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC1 ZINC000418143112 267365207 /nfs/dbraw/zinc/36/52/07/267365207.db2.gz OVYGSWUNNKGETB-UHFFFAOYSA-N 2 2 289.345 2.687 20 30 CFEDLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000562603366 290059028 /nfs/dbraw/zinc/05/90/28/290059028.db2.gz HGMPDQQGSOECDB-JKSUJKDBSA-N 2 2 280.375 2.810 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c3n1CCCC3)CC2 ZINC000567285430 290452602 /nfs/dbraw/zinc/45/26/02/290452602.db2.gz WTRSHIVVOSKXPQ-KRWDZBQOSA-N 2 2 292.386 2.868 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000271531775 328196656 /nfs/dbraw/zinc/19/66/56/328196656.db2.gz WXOQCGYSXPJHBS-SUNYJGFJSA-N 2 2 299.418 2.722 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000271531775 328196657 /nfs/dbraw/zinc/19/66/57/328196657.db2.gz WXOQCGYSXPJHBS-SUNYJGFJSA-N 2 2 299.418 2.722 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000178672597 329201162 /nfs/dbraw/zinc/20/11/62/329201162.db2.gz PWRBZEVRUVMJEJ-IRXDYDNUSA-N 2 2 280.456 2.678 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000178672597 329201164 /nfs/dbraw/zinc/20/11/64/329201164.db2.gz PWRBZEVRUVMJEJ-IRXDYDNUSA-N 2 2 280.456 2.678 20 30 CFEDLP CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCCCC1 ZINC000185756044 329330947 /nfs/dbraw/zinc/33/09/47/329330947.db2.gz DSCJINPBNCQLCO-HUUCEWRRSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[C@H](C)c1ccc(NC(=[NH2+])NCc2c[nH+]cn2C)cc1 ZINC000262324585 330006113 /nfs/dbraw/zinc/00/61/13/330006113.db2.gz STJOOZVVOFKADT-LBPRGKRZSA-N 2 2 285.395 2.860 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2(OC)CCCCC2)CC1 ZINC000421829249 330084408 /nfs/dbraw/zinc/08/44/08/330084408.db2.gz HEWWBKSDOANFQH-OAHLLOKOSA-N 2 2 280.456 2.964 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379651094 330145819 /nfs/dbraw/zinc/14/58/19/330145819.db2.gz UBJIEQCYBJDZIG-BFYDXBDKSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379651094 330145820 /nfs/dbraw/zinc/14/58/20/330145820.db2.gz UBJIEQCYBJDZIG-BFYDXBDKSA-N 2 2 271.408 2.789 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000423106664 330170567 /nfs/dbraw/zinc/17/05/67/330170567.db2.gz OPRGYMMSRZOUAF-PBHICJAKSA-N 2 2 274.408 2.872 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423176915 330175250 /nfs/dbraw/zinc/17/52/50/330175250.db2.gz GNXVUKWIOGRGDU-KBAYOESNSA-N 2 2 288.435 2.530 20 30 CFEDLP C=CC[C@H](C)[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423232064 330180645 /nfs/dbraw/zinc/18/06/45/330180645.db2.gz MGTMVSOECZESQB-KBPBESRZSA-N 2 2 274.412 2.504 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccn(C)n2)CC1 ZINC000544570221 330379971 /nfs/dbraw/zinc/37/99/71/330379971.db2.gz NQNVNCSMGOBGQL-OAHLLOKOSA-N 2 2 276.428 2.501 20 30 CFEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442816978 330785370 /nfs/dbraw/zinc/78/53/70/330785370.db2.gz FXNCOXPNLYNLIA-RKVPGOIHSA-N 2 2 298.434 2.889 20 30 CFEDLP CCC(CC)C[N@H+](CCC#N)CCc1c[nH+]cn1C ZINC000459363926 331278337 /nfs/dbraw/zinc/27/83/37/331278337.db2.gz SCLGXLQPGVUMFG-UHFFFAOYSA-N 2 2 262.401 2.614 20 30 CFEDLP CCC(CC)C[N@@H+](CCC#N)CCc1c[nH+]cn1C ZINC000459363926 331278338 /nfs/dbraw/zinc/27/83/38/331278338.db2.gz SCLGXLQPGVUMFG-UHFFFAOYSA-N 2 2 262.401 2.614 20 30 CFEDLP N#CC1(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000459491119 331284697 /nfs/dbraw/zinc/28/46/97/331284697.db2.gz ZMIMSDSABLYOTE-UHFFFAOYSA-N 2 2 292.386 2.661 20 30 CFEDLP Cc1cccn2c(C[NH2+]CC(C)(C)CC#N)c[nH+]c12 ZINC000459727297 331296114 /nfs/dbraw/zinc/29/61/14/331296114.db2.gz GEJOQNSDDSBBNZ-UHFFFAOYSA-N 2 2 256.353 2.672 20 30 CFEDLP C#C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000491667926 332276044 /nfs/dbraw/zinc/27/60/44/332276044.db2.gz YQCZUVMETOBKTQ-AWEZNQCLSA-N 2 2 259.378 2.681 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529536917 333494829 /nfs/dbraw/zinc/49/48/29/333494829.db2.gz AGVWYICSRLKADC-LLVKDONJSA-N 2 2 258.356 2.660 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000545948979 334008331 /nfs/dbraw/zinc/00/83/31/334008331.db2.gz OCBNPLDNZCAUHC-ZDUSSCGKSA-N 2 2 260.385 2.539 20 30 CFEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000545948979 334008333 /nfs/dbraw/zinc/00/83/33/334008333.db2.gz OCBNPLDNZCAUHC-ZDUSSCGKSA-N 2 2 260.385 2.539 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCCC#N ZINC000246250611 334246500 /nfs/dbraw/zinc/24/65/00/334246500.db2.gz PJPWQVKUOYWWHD-NVXWUHKLSA-N 2 2 271.408 2.790 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCCC#N ZINC000246250611 334246501 /nfs/dbraw/zinc/24/65/01/334246501.db2.gz PJPWQVKUOYWWHD-NVXWUHKLSA-N 2 2 271.408 2.790 20 30 CFEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]CCC#N)CCC1 ZINC000386708832 336177334 /nfs/dbraw/zinc/17/73/34/336177334.db2.gz OXVZJXKNACDXFR-UHFFFAOYSA-N 2 2 257.381 2.544 20 30 CFEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]CCC#N)CCC1 ZINC000386708832 336177335 /nfs/dbraw/zinc/17/73/35/336177335.db2.gz OXVZJXKNACDXFR-UHFFFAOYSA-N 2 2 257.381 2.544 20 30 CFEDLP N#Cc1ccc2cc[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)c2c1 ZINC001154984018 782136021 /nfs/dbraw/zinc/13/60/21/782136021.db2.gz DAZGGMPUVREUDT-KBPBESRZSA-N 2 2 266.348 2.788 20 30 CFEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCC#N)C1 ZINC000344331759 534110079 /nfs/dbraw/zinc/11/00/79/534110079.db2.gz BDEWDLAKVFWRLV-HOCLYGCPSA-N 2 2 257.381 2.715 20 30 CFEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCC#N)C1 ZINC000344331759 534110089 /nfs/dbraw/zinc/11/00/89/534110089.db2.gz BDEWDLAKVFWRLV-HOCLYGCPSA-N 2 2 257.381 2.715 20 30 CFEDLP CC[NH+]1CCC([N@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000077249680 521563959 /nfs/dbraw/zinc/56/39/59/521563959.db2.gz QGRAQJXGAXOEEU-UHFFFAOYSA-N 2 2 296.418 2.727 20 30 CFEDLP CC[NH+]1CCC([N@@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000077249680 521563969 /nfs/dbraw/zinc/56/39/69/521563969.db2.gz QGRAQJXGAXOEEU-UHFFFAOYSA-N 2 2 296.418 2.727 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000245419107 521712989 /nfs/dbraw/zinc/71/29/89/521712989.db2.gz GWZDQQHRANFJGX-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000245419107 521712991 /nfs/dbraw/zinc/71/29/91/521712991.db2.gz GWZDQQHRANFJGX-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000245419107 521712993 /nfs/dbraw/zinc/71/29/93/521712993.db2.gz GWZDQQHRANFJGX-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000245419107 521712995 /nfs/dbraw/zinc/71/29/95/521712995.db2.gz GWZDQQHRANFJGX-SUMWQHHRSA-N 2 2 289.398 2.859 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC000336119513 522039840 /nfs/dbraw/zinc/03/98/40/522039840.db2.gz ZIMJKYPPOUXBQD-OAHLLOKOSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000336119513 522039851 /nfs/dbraw/zinc/03/98/51/522039851.db2.gz ZIMJKYPPOUXBQD-OAHLLOKOSA-N 2 2 275.371 2.613 20 30 CFEDLP C[N@H+](CC[NH2+]Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000067221929 522867631 /nfs/dbraw/zinc/86/76/31/522867631.db2.gz FIIUGVFFMIKYBB-UHFFFAOYSA-N 2 2 279.387 2.780 20 30 CFEDLP C[N@@H+](CC[NH2+]Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000067221929 522867634 /nfs/dbraw/zinc/86/76/34/522867634.db2.gz FIIUGVFFMIKYBB-UHFFFAOYSA-N 2 2 279.387 2.780 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3cccc(C)n23)CC1 ZINC000344240714 526604214 /nfs/dbraw/zinc/60/42/14/526604214.db2.gz RMPKOSXBWCCCJA-UHFFFAOYSA-N 2 2 298.434 2.773 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(O)c2)CC1 ZINC000106246118 526604384 /nfs/dbraw/zinc/60/43/84/526604384.db2.gz LKKCHVTURYDKJR-UHFFFAOYSA-N 2 2 260.381 2.522 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000106245938 526604600 /nfs/dbraw/zinc/60/46/00/526604600.db2.gz XNFPJMVUWBNLPL-UHFFFAOYSA-N 2 2 289.379 2.725 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000367472363 526618339 /nfs/dbraw/zinc/61/83/39/526618339.db2.gz JRBZWIXWXHIYPV-UHOFOFEASA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000367472363 526618342 /nfs/dbraw/zinc/61/83/42/526618342.db2.gz JRBZWIXWXHIYPV-UHOFOFEASA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000367472363 526618345 /nfs/dbraw/zinc/61/83/45/526618345.db2.gz JRBZWIXWXHIYPV-UHOFOFEASA-N 2 2 287.432 2.536 20 30 CFEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)s1 ZINC000367472363 526618351 /nfs/dbraw/zinc/61/83/51/526618351.db2.gz JRBZWIXWXHIYPV-UHOFOFEASA-N 2 2 287.432 2.536 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1Cl ZINC000347109746 526860661 /nfs/dbraw/zinc/86/06/61/526860661.db2.gz PDRABKQKWIRFDT-NSHDSACASA-N 2 2 268.788 2.684 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1Cl ZINC000347109746 526860663 /nfs/dbraw/zinc/86/06/63/526860663.db2.gz PDRABKQKWIRFDT-NSHDSACASA-N 2 2 268.788 2.684 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000347106903 526866358 /nfs/dbraw/zinc/86/63/58/526866358.db2.gz NXUWBXHJIHYNLZ-PBHICJAKSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000347106903 526866361 /nfs/dbraw/zinc/86/63/61/526866361.db2.gz NXUWBXHJIHYNLZ-PBHICJAKSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344356215 526890552 /nfs/dbraw/zinc/89/05/52/526890552.db2.gz MHSBCOFGAHOWRT-PBHICJAKSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344356215 526890554 /nfs/dbraw/zinc/89/05/54/526890554.db2.gz MHSBCOFGAHOWRT-PBHICJAKSA-N 2 2 274.408 2.824 20 30 CFEDLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423300213 528820373 /nfs/dbraw/zinc/82/03/73/528820373.db2.gz RFJZXSBYFSLPLX-FZMZJTMJSA-N 2 2 263.360 2.865 20 30 CFEDLP C[NH+](C)CC1CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000749581492 574300834 /nfs/dbraw/zinc/30/08/34/574300834.db2.gz CDKJFWGFTRYBOB-BOPFTXTBSA-N 2 2 260.381 2.932 20 30 CFEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000895380054 618558814 /nfs/dbraw/zinc/55/88/14/618558814.db2.gz NWGDBNWVARVHHK-WMLDXEAASA-N 2 2 286.423 2.505 20 30 CFEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000895380054 618558816 /nfs/dbraw/zinc/55/88/16/618558816.db2.gz NWGDBNWVARVHHK-WMLDXEAASA-N 2 2 286.423 2.505 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(F)cc2C)CC1 ZINC000892881180 618762585 /nfs/dbraw/zinc/76/25/85/618762585.db2.gz QDHKIXOSVBKQJK-UHFFFAOYSA-N 2 2 277.387 2.659 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000931620102 619061911 /nfs/dbraw/zinc/06/19/11/619061911.db2.gz DCZFDYIFIIFILO-ROUUACIJSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000931620102 619061913 /nfs/dbraw/zinc/06/19/13/619061913.db2.gz DCZFDYIFIIFILO-ROUUACIJSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000931620102 619061919 /nfs/dbraw/zinc/06/19/19/619061919.db2.gz DCZFDYIFIIFILO-ROUUACIJSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000931620102 619061922 /nfs/dbraw/zinc/06/19/22/619061922.db2.gz DCZFDYIFIIFILO-ROUUACIJSA-N 2 2 283.419 2.844 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C#N)cc1F ZINC000925784310 619108833 /nfs/dbraw/zinc/10/88/33/619108833.db2.gz QQRHTEJCCVPWGY-JQWIXIFHSA-N 2 2 297.324 2.593 20 30 CFEDLP C#CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747532010 619254503 /nfs/dbraw/zinc/25/45/03/619254503.db2.gz QRVVWUFOOOSFJK-SFHVURJKSA-N 2 2 268.404 2.608 20 30 CFEDLP C#CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000747532010 619254507 /nfs/dbraw/zinc/25/45/07/619254507.db2.gz QRVVWUFOOOSFJK-SFHVURJKSA-N 2 2 268.404 2.608 20 30 CFEDLP C#CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000747532010 619254509 /nfs/dbraw/zinc/25/45/09/619254509.db2.gz QRVVWUFOOOSFJK-SFHVURJKSA-N 2 2 268.404 2.608 20 30 CFEDLP C#CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747532010 619254512 /nfs/dbraw/zinc/25/45/12/619254512.db2.gz QRVVWUFOOOSFJK-SFHVURJKSA-N 2 2 268.404 2.608 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000924670971 620437558 /nfs/dbraw/zinc/43/75/58/620437558.db2.gz DZAOVNJPLHMHOY-UONOGXRCSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000924670971 620437559 /nfs/dbraw/zinc/43/75/59/620437559.db2.gz DZAOVNJPLHMHOY-UONOGXRCSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000902483884 621110376 /nfs/dbraw/zinc/11/03/76/621110376.db2.gz SKVPZHVCROCLAU-CZUORRHYSA-N 2 2 257.381 2.741 20 30 CFEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902728299 621159276 /nfs/dbraw/zinc/15/92/76/621159276.db2.gz PPUGFKRKVAFTOT-HUUCEWRRSA-N 2 2 286.423 2.868 20 30 CFEDLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902728299 621159278 /nfs/dbraw/zinc/15/92/78/621159278.db2.gz PPUGFKRKVAFTOT-HUUCEWRRSA-N 2 2 286.423 2.868 20 30 CFEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902793912 621178188 /nfs/dbraw/zinc/17/81/88/621178188.db2.gz ORVIGBXWHUVMDO-GDBMZVCRSA-N 2 2 286.423 2.724 20 30 CFEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000902793912 621178190 /nfs/dbraw/zinc/17/81/90/621178190.db2.gz ORVIGBXWHUVMDO-GDBMZVCRSA-N 2 2 286.423 2.724 20 30 CFEDLP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cc(C#N)ccn1 ZINC000902951283 621212486 /nfs/dbraw/zinc/21/24/86/621212486.db2.gz MTNRJBDTEKBGPT-AWEZNQCLSA-N 2 2 286.423 2.726 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903012075 621229104 /nfs/dbraw/zinc/22/91/04/621229104.db2.gz MXTREXDDTLOWLK-GDBMZVCRSA-N 2 2 285.391 2.850 20 30 CFEDLP CCC[N@H+](Cc1c(C)cc(C#N)cc1C)[C@@H]1CC[NH2+]C1 ZINC000903423813 621378931 /nfs/dbraw/zinc/37/89/31/621378931.db2.gz ZPZVPPYAFXNQSZ-MRXNPFEDSA-N 2 2 271.408 2.749 20 30 CFEDLP CCC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@@H]1CC[NH2+]C1 ZINC000903423813 621378933 /nfs/dbraw/zinc/37/89/33/621378933.db2.gz ZPZVPPYAFXNQSZ-MRXNPFEDSA-N 2 2 271.408 2.749 20 30 CFEDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903425122 621379593 /nfs/dbraw/zinc/37/95/93/621379593.db2.gz SZJISXYDTHBKAO-FZMZJTMJSA-N 2 2 277.799 2.771 20 30 CFEDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903425122 621379595 /nfs/dbraw/zinc/37/95/95/621379595.db2.gz SZJISXYDTHBKAO-FZMZJTMJSA-N 2 2 277.799 2.771 20 30 CFEDLP N#CC1CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903541029 621396134 /nfs/dbraw/zinc/39/61/34/621396134.db2.gz HZWVSUSKBPKOKB-FIYWTHMPSA-N 2 2 289.345 2.528 20 30 CFEDLP N#CC1CCC(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)CC1 ZINC000903541029 621396138 /nfs/dbraw/zinc/39/61/38/621396138.db2.gz HZWVSUSKBPKOKB-FIYWTHMPSA-N 2 2 289.345 2.528 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805493 621445544 /nfs/dbraw/zinc/44/55/44/621445544.db2.gz PARXJVASIUMZRG-WMZOPIPTSA-N 2 2 283.419 2.878 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903805493 621445547 /nfs/dbraw/zinc/44/55/47/621445547.db2.gz PARXJVASIUMZRG-WMZOPIPTSA-N 2 2 283.419 2.878 20 30 CFEDLP C=CCCC[C@H]([NH3+])c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000904706771 621627643 /nfs/dbraw/zinc/62/76/43/621627643.db2.gz BUVJAYKVUUBNMP-ZDUSSCGKSA-N 2 2 283.335 2.740 20 30 CFEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCCCC1 ZINC000823683704 623376501 /nfs/dbraw/zinc/37/65/01/623376501.db2.gz ITKOBYNZHGURKZ-QQFBHYJXSA-N 2 2 263.429 2.923 20 30 CFEDLP C=CC[C@@H]1CCC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000826945776 623912972 /nfs/dbraw/zinc/91/29/72/623912972.db2.gz BRPUGRHLWIVKRT-CYBMUJFWSA-N 2 2 279.453 2.993 20 30 CFEDLP C=CC[C@@H]1CCC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000826945776 623912976 /nfs/dbraw/zinc/91/29/76/623912976.db2.gz BRPUGRHLWIVKRT-CYBMUJFWSA-N 2 2 279.453 2.993 20 30 CFEDLP CCCCCCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817914014 625962443 /nfs/dbraw/zinc/96/24/43/625962443.db2.gz VHRGQMQGJGLURX-HZPDHXFCSA-N 2 2 268.445 2.704 20 30 CFEDLP COc1cc(F)ccc1N[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000761885293 626870369 /nfs/dbraw/zinc/87/03/69/626870369.db2.gz QZDACFMGQBRMCB-UHFFFAOYSA-N 2 2 288.326 2.741 20 30 CFEDLP COc1ccc(O)c(/C=[NH+]\CCCC[N@H+](C)C2CC2)c1 ZINC000840711282 631175918 /nfs/dbraw/zinc/17/59/18/631175918.db2.gz VZQHGXKZEHMTPY-ATVHPVEESA-N 2 2 276.380 2.694 20 30 CFEDLP COc1ccc(O)c(/C=[NH+]\CCCC[N@@H+](C)C2CC2)c1 ZINC000840711282 631175920 /nfs/dbraw/zinc/17/59/20/631175920.db2.gz VZQHGXKZEHMTPY-ATVHPVEESA-N 2 2 276.380 2.694 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000815652152 632305493 /nfs/dbraw/zinc/30/54/93/632305493.db2.gz RDSRTOURNFCDTQ-QGZVFWFLSA-N 2 2 274.408 2.974 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000815652152 632305496 /nfs/dbraw/zinc/30/54/96/632305496.db2.gz RDSRTOURNFCDTQ-QGZVFWFLSA-N 2 2 274.408 2.974 20 30 CFEDLP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1C#N ZINC000817915246 632732593 /nfs/dbraw/zinc/73/25/93/632732593.db2.gz JSIGNQREZBVZRO-IRXDYDNUSA-N 2 2 293.370 2.801 20 30 CFEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938138 632743395 /nfs/dbraw/zinc/74/33/95/632743395.db2.gz FDBAVLZWVBANOH-ZQIUZPCESA-N 2 2 275.440 2.943 20 30 CFEDLP C#CCCCOc1ccc[nH+]c1N[C@@H](C)CC[NH+](C)C ZINC000853237888 634947682 /nfs/dbraw/zinc/94/76/82/634947682.db2.gz ZNVOZYWKWFMQGZ-AWEZNQCLSA-N 2 2 275.396 2.626 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413983 638817030 /nfs/dbraw/zinc/81/70/30/638817030.db2.gz XUHCAVDXZFRHAL-CABCVRRESA-N 2 2 268.445 2.556 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413983 638817034 /nfs/dbraw/zinc/81/70/34/638817034.db2.gz XUHCAVDXZFRHAL-CABCVRRESA-N 2 2 268.445 2.556 20 30 CFEDLP N#CCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571086 644771143 /nfs/dbraw/zinc/77/11/43/644771143.db2.gz NMEUSSOTQZJQET-HNNXBMFYSA-N 2 2 254.337 2.518 20 30 CFEDLP CCCCNC(=[NH2+])NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000303879095 651005606 /nfs/dbraw/zinc/00/56/06/651005606.db2.gz GLSAAKCDNNDKNG-AWEZNQCLSA-N 2 2 296.484 2.835 20 30 CFEDLP Cc1ccc([C@@H](CNC(=[NH2+])NCCC(C)C)[NH+](C)C)cc1 ZINC000303881086 651005769 /nfs/dbraw/zinc/00/57/69/651005769.db2.gz KPJQHORSANSFOT-MRXNPFEDSA-N 2 2 290.455 2.548 20 30 CFEDLP CCCCCCCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000134155424 646291540 /nfs/dbraw/zinc/29/15/40/646291540.db2.gz GWXUVEGZFGOASJ-HUUCEWRRSA-N 2 2 256.434 2.704 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)o1 ZINC000135159561 646480332 /nfs/dbraw/zinc/48/03/32/646480332.db2.gz UNSGEVKNNIPVGI-AWEZNQCLSA-N 2 2 272.352 2.552 20 30 CFEDLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ccccc1 ZINC000925710869 648291830 /nfs/dbraw/zinc/29/18/30/648291830.db2.gz CFSSVSSSRYOCRH-RDTXWAMCSA-N 2 2 279.387 2.779 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000926289866 648456328 /nfs/dbraw/zinc/45/63/28/648456328.db2.gz GQTKYRCIOMZWKZ-ZFWWWQNUSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000926289866 648456330 /nfs/dbraw/zinc/45/63/30/648456330.db2.gz GQTKYRCIOMZWKZ-ZFWWWQNUSA-N 2 2 263.429 2.921 20 30 CFEDLP Cc1cc(C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)ccc1C#N ZINC000931315299 649405773 /nfs/dbraw/zinc/40/57/73/649405773.db2.gz WGRRWOFVZRDFBH-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1cc(C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)ccc1C#N ZINC000931315299 649405777 /nfs/dbraw/zinc/40/57/77/649405777.db2.gz WGRRWOFVZRDFBH-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1cc(C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1C#N ZINC000931315299 649405779 /nfs/dbraw/zinc/40/57/79/649405779.db2.gz WGRRWOFVZRDFBH-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1cc(C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)ccc1C#N ZINC000931315299 649405784 /nfs/dbraw/zinc/40/57/84/649405784.db2.gz WGRRWOFVZRDFBH-HDICACEKSA-N 2 2 283.419 2.640 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515998 649445164 /nfs/dbraw/zinc/44/51/64/649445164.db2.gz FYCREQBGGWKTFZ-UHFFFAOYSA-N 2 2 292.386 2.711 20 30 CFEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N(C)C1CC1)c1ccsc1 ZINC000305810506 651083194 /nfs/dbraw/zinc/08/31/94/651083194.db2.gz IYVHRRNHUUKLMP-AWEZNQCLSA-N 2 2 294.468 2.540 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccccc1F ZINC000328092292 775715381 /nfs/dbraw/zinc/71/53/81/775715381.db2.gz JAGZDPUQYUMABX-INIZCTEOSA-N 2 2 262.372 2.822 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccccc1F ZINC000328092292 775715389 /nfs/dbraw/zinc/71/53/89/775715389.db2.gz JAGZDPUQYUMABX-INIZCTEOSA-N 2 2 262.372 2.822 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001231624638 777283969 /nfs/dbraw/zinc/28/39/69/777283969.db2.gz SSIYCZOJDOOULU-SJLPKXTDSA-N 2 2 286.419 2.635 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1 ZINC001231624638 777283974 /nfs/dbraw/zinc/28/39/74/777283974.db2.gz SSIYCZOJDOOULU-SJLPKXTDSA-N 2 2 286.419 2.635 20 30 CFEDLP C[C@@]1(C#N)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002751 777566669 /nfs/dbraw/zinc/56/66/69/777566669.db2.gz WVQGGLJDRNNLNY-WFVVYAPDSA-N 2 2 273.424 2.627 20 30 CFEDLP C[C@@]1(C#N)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001168002751 777566673 /nfs/dbraw/zinc/56/66/73/777566673.db2.gz WVQGGLJDRNNLNY-WFVVYAPDSA-N 2 2 273.424 2.627 20 30 CFEDLP C[C@@]1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001168002751 777566677 /nfs/dbraw/zinc/56/66/77/777566677.db2.gz WVQGGLJDRNNLNY-WFVVYAPDSA-N 2 2 273.424 2.627 20 30 CFEDLP C[C@@]1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002751 777566682 /nfs/dbraw/zinc/56/66/82/777566682.db2.gz WVQGGLJDRNNLNY-WFVVYAPDSA-N 2 2 273.424 2.627 20 30 CFEDLP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1C#N)CC2 ZINC001232609446 777615296 /nfs/dbraw/zinc/61/52/96/777615296.db2.gz FCGODFOGOJLKMQ-UHFFFAOYSA-N 2 2 289.810 2.739 20 30 CFEDLP Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C#N)c1 ZINC001232961837 777739259 /nfs/dbraw/zinc/73/92/59/777739259.db2.gz FSRACOGXYYRKIA-UHFFFAOYSA-N 2 2 292.386 2.584 20 30 CFEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]3(C[NH2+]CCO3)C2)CC1 ZINC001235113313 778385823 /nfs/dbraw/zinc/38/58/23/778385823.db2.gz CFRDHHJZQFBOSS-MSOLQXFVSA-N 2 2 290.451 2.743 20 30 CFEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(C[NH2+]CCO3)C2)CC1 ZINC001235113313 778385832 /nfs/dbraw/zinc/38/58/32/778385832.db2.gz CFRDHHJZQFBOSS-MSOLQXFVSA-N 2 2 290.451 2.743 20 30 CFEDLP CCCCCCCCC[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235242514 778424326 /nfs/dbraw/zinc/42/43/26/778424326.db2.gz ZATMDKJCDKFLAA-HOTGVXAUSA-N 2 2 268.445 2.800 20 30 CFEDLP CCCCCCCCC[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235242514 778424328 /nfs/dbraw/zinc/42/43/28/778424328.db2.gz ZATMDKJCDKFLAA-HOTGVXAUSA-N 2 2 268.445 2.800 20 30 CFEDLP N#CCc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001235511303 778508589 /nfs/dbraw/zinc/50/85/89/778508589.db2.gz GTFIBBMBUQXAJV-UHFFFAOYSA-N 2 2 283.419 2.813 20 30 CFEDLP N#Cc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1F ZINC001235895248 778595927 /nfs/dbraw/zinc/59/59/27/778595927.db2.gz FWPUJFWEFKYOFH-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1F ZINC001235895248 778595929 /nfs/dbraw/zinc/59/59/29/778595929.db2.gz FWPUJFWEFKYOFH-QGZVFWFLSA-N 2 2 295.361 2.897 20 30 CFEDLP C=CCc1cccc(C[N@@H+](CCC)[C@@H]2CC[NH2+]C2)c1O ZINC001236323188 778780467 /nfs/dbraw/zinc/78/04/67/778780467.db2.gz GCZNZTFLRGZOKC-MRXNPFEDSA-N 2 2 274.408 2.695 20 30 CFEDLP C=CCc1cccc(C[N@H+](CCC)[C@@H]2CC[NH2+]C2)c1O ZINC001236323188 778780473 /nfs/dbraw/zinc/78/04/73/778780473.db2.gz GCZNZTFLRGZOKC-MRXNPFEDSA-N 2 2 274.408 2.695 20 30 CFEDLP C=CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCCCC1 ZINC001236433202 778827310 /nfs/dbraw/zinc/82/73/10/778827310.db2.gz GYGAOMRTGDPILP-AWEZNQCLSA-N 2 2 252.402 2.532 20 30 CFEDLP C=CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CCCCC1 ZINC001236433202 778827313 /nfs/dbraw/zinc/82/73/13/778827313.db2.gz GYGAOMRTGDPILP-AWEZNQCLSA-N 2 2 252.402 2.532 20 30 CFEDLP CC(C)C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236477793 778843760 /nfs/dbraw/zinc/84/37/60/778843760.db2.gz NARRLPZZHYTDEN-MRXNPFEDSA-N 2 2 289.398 2.907 20 30 CFEDLP CC(C)C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236477793 778843766 /nfs/dbraw/zinc/84/37/66/778843766.db2.gz NARRLPZZHYTDEN-MRXNPFEDSA-N 2 2 289.398 2.907 20 30 CFEDLP N#Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(F)c1 ZINC001236526499 778860826 /nfs/dbraw/zinc/86/08/26/778860826.db2.gz VKSARLZXKJDEAF-UHFFFAOYSA-N 2 2 292.317 2.699 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236530896 778865650 /nfs/dbraw/zinc/86/56/50/778865650.db2.gz SNBACDHZBXWKLZ-MRXNPFEDSA-N 2 2 274.408 2.824 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)cc1 ZINC001236530896 778865655 /nfs/dbraw/zinc/86/56/55/778865655.db2.gz SNBACDHZBXWKLZ-MRXNPFEDSA-N 2 2 274.408 2.824 20 30 CFEDLP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1C#N ZINC000594523335 349442131 /nfs/dbraw/zinc/44/21/31/349442131.db2.gz QDGLKVACITWJCN-DLBZAZTESA-N 2 2 299.418 2.673 20 30 CFEDLP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1C#N ZINC000594523335 349442136 /nfs/dbraw/zinc/44/21/36/349442136.db2.gz QDGLKVACITWJCN-DLBZAZTESA-N 2 2 299.418 2.673 20 30 CFEDLP N#CC1(c2ccc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc2)CC1 ZINC000594944979 349522876 /nfs/dbraw/zinc/52/28/76/349522876.db2.gz UMQDGLOEZHAIGF-HNNXBMFYSA-N 2 2 292.386 2.612 20 30 CFEDLP N#CC1(c2ccc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)cc2)CC1 ZINC000594944979 349522878 /nfs/dbraw/zinc/52/28/78/349522878.db2.gz UMQDGLOEZHAIGF-HNNXBMFYSA-N 2 2 292.386 2.612 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594948625 349525470 /nfs/dbraw/zinc/52/54/70/349525470.db2.gz AKOHJIZFNSOAJH-QGZVFWFLSA-N 2 2 292.386 2.868 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000594961773 349531671 /nfs/dbraw/zinc/53/16/71/349531671.db2.gz HSBRTOIFIITNLR-NPCAHTBFSA-N 2 2 263.429 2.921 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000594961773 349531675 /nfs/dbraw/zinc/53/16/75/349531675.db2.gz HSBRTOIFIITNLR-NPCAHTBFSA-N 2 2 263.429 2.921 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000594965190 349533284 /nfs/dbraw/zinc/53/32/84/349533284.db2.gz RKBYNQRJEKNCCH-AWEZNQCLSA-N 2 2 275.371 2.660 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081505 349576226 /nfs/dbraw/zinc/57/62/26/349576226.db2.gz RMSCCUNEXKSWPJ-RBSFLKMASA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081505 349576229 /nfs/dbraw/zinc/57/62/29/349576229.db2.gz RMSCCUNEXKSWPJ-RBSFLKMASA-N 2 2 261.413 2.675 20 30 CFEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(C#N)ccc1F)C2 ZINC000595508214 349645625 /nfs/dbraw/zinc/64/56/25/349645625.db2.gz VSYMQWCVYLLBRE-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc(C#N)ccc1F)C2 ZINC000595508214 349645626 /nfs/dbraw/zinc/64/56/26/349645626.db2.gz VSYMQWCVYLLBRE-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc(C#N)ccc1F)C2 ZINC000595508214 349645629 /nfs/dbraw/zinc/64/56/29/349645629.db2.gz VSYMQWCVYLLBRE-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000595508214 349645631 /nfs/dbraw/zinc/64/56/31/349645631.db2.gz VSYMQWCVYLLBRE-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890132 349762785 /nfs/dbraw/zinc/76/27/85/349762785.db2.gz YBRBTYNMEFUTNJ-ZYHUDNBSSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890132 349762788 /nfs/dbraw/zinc/76/27/88/349762788.db2.gz YBRBTYNMEFUTNJ-ZYHUDNBSSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000595892428 349762900 /nfs/dbraw/zinc/76/29/00/349762900.db2.gz QXSGDACPIUEAMU-HZMBPMFUSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000595892428 349762903 /nfs/dbraw/zinc/76/29/03/349762903.db2.gz QXSGDACPIUEAMU-HZMBPMFUSA-N 2 2 297.324 2.746 20 30 CFEDLP N#Cc1cccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080984846 347393162 /nfs/dbraw/zinc/39/31/62/347393162.db2.gz VIEXPEGKSMQELM-HNNXBMFYSA-N 2 2 296.374 2.540 20 30 CFEDLP N#Cc1cccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080984846 347393165 /nfs/dbraw/zinc/39/31/65/347393165.db2.gz VIEXPEGKSMQELM-HNNXBMFYSA-N 2 2 296.374 2.540 20 30 CFEDLP C#C[C@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)C ZINC000367722628 348515030 /nfs/dbraw/zinc/51/50/30/348515030.db2.gz BCAXLXWEZARTFV-ZDUSSCGKSA-N 2 2 291.464 2.657 20 30 CFEDLP C#C[C@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)C ZINC000367722628 348515031 /nfs/dbraw/zinc/51/50/31/348515031.db2.gz BCAXLXWEZARTFV-ZDUSSCGKSA-N 2 2 291.464 2.657 20 30 CFEDLP C=C(CC)C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000584586453 348680417 /nfs/dbraw/zinc/68/04/17/348680417.db2.gz ZRUZIPAPDLZQNE-HNNXBMFYSA-N 2 2 287.407 2.570 20 30 CFEDLP C[C@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593702293 349313181 /nfs/dbraw/zinc/31/31/81/349313181.db2.gz LBOVKESWLTZDSK-YOEHRIQHSA-N 2 2 283.419 2.768 20 30 CFEDLP N#CC1(c2ccc(C[N@@H+]3CC[NH+]4CCC3CC4)cc2)CC1 ZINC000597127602 350034614 /nfs/dbraw/zinc/03/46/14/350034614.db2.gz JTTWHWMKZFKYRI-UHFFFAOYSA-N 2 2 281.403 2.522 20 30 CFEDLP N#CC1(c2ccc(C[N@H+]3CC[NH+]4CCC3CC4)cc2)CC1 ZINC000597127602 350034617 /nfs/dbraw/zinc/03/46/17/350034617.db2.gz JTTWHWMKZFKYRI-UHFFFAOYSA-N 2 2 281.403 2.522 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091334256 180136386 /nfs/dbraw/zinc/13/63/86/180136386.db2.gz AKIHDKINMMZJHQ-AWEZNQCLSA-N 2 2 298.434 2.874 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000598918435 350346464 /nfs/dbraw/zinc/34/64/64/350346464.db2.gz CRZDQDKUTYZVIL-UHFFFAOYSA-N 2 2 287.398 2.883 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000602501586 350907172 /nfs/dbraw/zinc/90/71/72/350907172.db2.gz AVEJORGCSDODDO-RDJZCZTQSA-N 2 2 273.424 2.689 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000602501577 350907232 /nfs/dbraw/zinc/90/72/32/350907232.db2.gz AVEJORGCSDODDO-DOTOQJQBSA-N 2 2 273.424 2.689 20 30 CFEDLP CC(C)(C[NH2+]C1CCC(C#N)CC1)[NH+]1CCCCC1 ZINC000602504934 350908133 /nfs/dbraw/zinc/90/81/33/350908133.db2.gz OCYHQQFCKMZWRQ-UHFFFAOYSA-N 2 2 263.429 2.923 20 30 CFEDLP CC(C)C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)[NH+](C)C ZINC000602510697 350910076 /nfs/dbraw/zinc/91/00/76/350910076.db2.gz LYZKWKIAMZGYSU-JKSUJKDBSA-N 2 2 295.471 2.651 20 30 CFEDLP C[C@H](CCC#N)C[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000602517925 350912329 /nfs/dbraw/zinc/91/23/29/350912329.db2.gz HBMSHGFLOOBGOI-NVXWUHKLSA-N 2 2 273.424 2.689 20 30 CFEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC000603431594 351163010 /nfs/dbraw/zinc/16/30/10/351163010.db2.gz FQVZCOJRLWNRHO-WWGRRREGSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC000603431594 351163014 /nfs/dbraw/zinc/16/30/14/351163014.db2.gz FQVZCOJRLWNRHO-WWGRRREGSA-N 2 2 257.381 2.506 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609157634 351489896 /nfs/dbraw/zinc/48/98/96/351489896.db2.gz LIHLSCKXMNJDAU-OAHLLOKOSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609157634 351489900 /nfs/dbraw/zinc/48/99/00/351489900.db2.gz LIHLSCKXMNJDAU-OAHLLOKOSA-N 2 2 284.338 2.731 20 30 CFEDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1 ZINC000123834896 187111056 /nfs/dbraw/zinc/11/10/56/187111056.db2.gz HEAMCVFSXWSJEV-UHFFFAOYSA-N 2 2 277.437 2.926 20 30 CFEDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1 ZINC000123834896 187111057 /nfs/dbraw/zinc/11/10/57/187111057.db2.gz HEAMCVFSXWSJEV-UHFFFAOYSA-N 2 2 277.437 2.926 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000614403661 352090303 /nfs/dbraw/zinc/09/03/03/352090303.db2.gz OXFVEFJFPJJXOO-INIZCTEOSA-N 2 2 280.375 2.969 20 30 CFEDLP Cc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000618593630 352826808 /nfs/dbraw/zinc/82/68/08/352826808.db2.gz FCKYYCGFCUECGS-KRWDZBQOSA-N 2 2 280.375 2.900 20 30 CFEDLP Cc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000618593630 352826811 /nfs/dbraw/zinc/82/68/11/352826811.db2.gz FCKYYCGFCUECGS-KRWDZBQOSA-N 2 2 280.375 2.900 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804346 352883298 /nfs/dbraw/zinc/88/32/98/352883298.db2.gz KTONFMNOIIOKOX-UUWFMWQGSA-N 2 2 281.403 2.618 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618804346 352883300 /nfs/dbraw/zinc/88/33/00/352883300.db2.gz KTONFMNOIIOKOX-UUWFMWQGSA-N 2 2 281.403 2.618 20 30 CFEDLP Fc1ccc(C#CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000156381706 188259419 /nfs/dbraw/zinc/25/94/19/188259419.db2.gz PQNIFPVZOIUVSH-UHFFFAOYSA-N 2 2 283.350 2.711 20 30 CFEDLP C=CCCCCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625960292 354153541 /nfs/dbraw/zinc/15/35/41/354153541.db2.gz ACGGFAZFEIKAAS-UHFFFAOYSA-N 2 2 280.456 2.920 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ncc2F)CC1 ZINC000287585836 540193535 /nfs/dbraw/zinc/19/35/35/540193535.db2.gz HSPBCMDKZUUQAX-LBPRGKRZSA-N 2 2 293.386 2.530 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)o1 ZINC000176992310 189019594 /nfs/dbraw/zinc/01/95/94/189019594.db2.gz ORWLDUXZPVCNOI-UHFFFAOYSA-N 2 2 273.380 2.648 20 30 CFEDLP C=CCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177204428 189036003 /nfs/dbraw/zinc/03/60/03/189036003.db2.gz SBPPLTKSVHWQGJ-UHFFFAOYSA-N 2 2 256.353 2.665 20 30 CFEDLP C=CCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177204428 189036004 /nfs/dbraw/zinc/03/60/04/189036004.db2.gz SBPPLTKSVHWQGJ-UHFFFAOYSA-N 2 2 256.353 2.665 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000180611927 189265316 /nfs/dbraw/zinc/26/53/16/189265316.db2.gz UREMXVMKLOSTAE-DOMZBBRYSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1n1cc[nH+]c1 ZINC000180611927 189265317 /nfs/dbraw/zinc/26/53/17/189265317.db2.gz UREMXVMKLOSTAE-DOMZBBRYSA-N 2 2 286.404 2.899 20 30 CFEDLP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C[NH+](C)C ZINC000425938241 239140726 /nfs/dbraw/zinc/14/07/26/239140726.db2.gz VZSJVMLGZREIQE-NEPJUHHUSA-N 2 2 263.360 2.546 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443993525 241104663 /nfs/dbraw/zinc/10/46/63/241104663.db2.gz JVFZETUFTFCJNF-UHFFFAOYSA-N 2 2 265.360 2.902 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000129598245 299399048 /nfs/dbraw/zinc/39/90/48/299399048.db2.gz DZZFBRNPQXGYOF-DVOMOZLQSA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000129598245 299399050 /nfs/dbraw/zinc/39/90/50/299399050.db2.gz DZZFBRNPQXGYOF-DVOMOZLQSA-N 2 2 269.392 2.834 20 30 CFEDLP C#CCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000276141710 193224975 /nfs/dbraw/zinc/22/49/75/193224975.db2.gz ASWDOQKYLQSXKS-CQSZACIVSA-N 2 2 253.349 2.936 20 30 CFEDLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000329217892 227358788 /nfs/dbraw/zinc/35/87/88/227358788.db2.gz QZTXFJCWEYELNB-CYBMUJFWSA-N 2 2 276.384 2.663 20 30 CFEDLP O=C(NCc1[nH]cc[nH+]1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000329217892 227358793 /nfs/dbraw/zinc/35/87/93/227358793.db2.gz QZTXFJCWEYELNB-CYBMUJFWSA-N 2 2 276.384 2.663 20 30 CFEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCCC1)c1ccccc1 ZINC000264118508 383697850 /nfs/dbraw/zinc/69/78/50/383697850.db2.gz QPFACWGSDPYLEL-MRXNPFEDSA-N 2 2 288.439 2.526 20 30 CFEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1C#N ZINC000075860628 374509004 /nfs/dbraw/zinc/50/90/04/374509004.db2.gz OLPCFWVDFMKYEZ-KRWDZBQOSA-N 2 2 271.408 2.864 20 30 CFEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1C#N ZINC000075860628 374509010 /nfs/dbraw/zinc/50/90/10/374509010.db2.gz OLPCFWVDFMKYEZ-KRWDZBQOSA-N 2 2 271.408 2.864 20 30 CFEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1C#N ZINC000075860628 374509015 /nfs/dbraw/zinc/50/90/15/374509015.db2.gz OLPCFWVDFMKYEZ-KRWDZBQOSA-N 2 2 271.408 2.864 20 30 CFEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1C#N ZINC000075860628 374509022 /nfs/dbraw/zinc/50/90/22/374509022.db2.gz OLPCFWVDFMKYEZ-KRWDZBQOSA-N 2 2 271.408 2.864 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000129108679 377385744 /nfs/dbraw/zinc/38/57/44/377385744.db2.gz MEAZMNHYDVKHRE-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000129108679 377385752 /nfs/dbraw/zinc/38/57/52/377385752.db2.gz MEAZMNHYDVKHRE-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000129108679 377385761 /nfs/dbraw/zinc/38/57/61/377385761.db2.gz MEAZMNHYDVKHRE-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3F)CC[C@@H]21 ZINC000129108679 377385765 /nfs/dbraw/zinc/38/57/65/377385765.db2.gz MEAZMNHYDVKHRE-YOEHRIQHSA-N 2 2 287.382 2.613 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129750971 377469472 /nfs/dbraw/zinc/46/94/72/377469472.db2.gz KFDCTOJWCNYCPT-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000129750971 377469478 /nfs/dbraw/zinc/46/94/78/377469478.db2.gz KFDCTOJWCNYCPT-GUYCJALGSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)o1 ZINC000135132617 378088443 /nfs/dbraw/zinc/08/84/43/378088443.db2.gz VHQKCNRHWZWAPE-ZDUSSCGKSA-N 2 2 261.369 2.505 20 30 CFEDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)o1 ZINC000135132617 378088446 /nfs/dbraw/zinc/08/84/46/378088446.db2.gz VHQKCNRHWZWAPE-ZDUSSCGKSA-N 2 2 261.369 2.505 20 30 CFEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000161249870 378834112 /nfs/dbraw/zinc/83/41/12/378834112.db2.gz RHCSOVOLAAFBBC-UHFFFAOYSA-N 2 2 297.402 2.807 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000334242505 378970777 /nfs/dbraw/zinc/97/07/77/378970777.db2.gz QNARNNIUTOZPIE-UHFFFAOYSA-N 2 2 272.377 2.722 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000334242505 378970785 /nfs/dbraw/zinc/97/07/85/378970785.db2.gz QNARNNIUTOZPIE-UHFFFAOYSA-N 2 2 272.377 2.722 20 30 CFEDLP C#CCCOc1ccc(C[NH2+]C2CC[NH+](CC=C)CC2)cc1 ZINC000172119978 379499403 /nfs/dbraw/zinc/49/94/03/379499403.db2.gz ODUHIEXGONHQPM-UHFFFAOYSA-N 2 2 298.430 2.829 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc(C#N)o1 ZINC000174242844 379850185 /nfs/dbraw/zinc/85/01/85/379850185.db2.gz HJYSLWOAFWQYOW-UHFFFAOYSA-N 2 2 294.358 2.989 20 30 CFEDLP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(C#N)o2)ccc1F ZINC000174399285 379878305 /nfs/dbraw/zinc/87/83/05/379878305.db2.gz ACHYIGBYYGKUPG-UHFFFAOYSA-N 2 2 287.338 2.642 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000336121057 380270423 /nfs/dbraw/zinc/27/04/23/380270423.db2.gz UMWUSYARRSUENE-GDBMZVCRSA-N 2 2 261.413 2.629 20 30 CFEDLP C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000279090304 194280135 /nfs/dbraw/zinc/28/01/35/194280135.db2.gz UETXFNDYFSHKGV-MRXNPFEDSA-N 2 2 265.360 2.771 20 30 CFEDLP C#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000279090304 194280137 /nfs/dbraw/zinc/28/01/37/194280137.db2.gz UETXFNDYFSHKGV-MRXNPFEDSA-N 2 2 265.360 2.771 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2F)CC[N@@H+]1C ZINC000336615453 380552500 /nfs/dbraw/zinc/55/25/00/380552500.db2.gz MYVWUSRDIZKDIT-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(C#N)c2F)CC[N@H+]1C ZINC000336615453 380552508 /nfs/dbraw/zinc/55/25/08/380552508.db2.gz MYVWUSRDIZKDIT-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)CC[NH+]1C ZINC000336615453 380552513 /nfs/dbraw/zinc/55/25/13/380552513.db2.gz MYVWUSRDIZKDIT-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)CC[NH+]1C ZINC000336615453 380552520 /nfs/dbraw/zinc/55/25/20/380552520.db2.gz MYVWUSRDIZKDIT-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2F)CC[N@@H+]1C ZINC000336615451 380552775 /nfs/dbraw/zinc/55/27/75/380552775.db2.gz MYVWUSRDIZKDIT-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2cccc(C#N)c2F)CC[N@H+]1C ZINC000336615451 380552781 /nfs/dbraw/zinc/55/27/81/380552781.db2.gz MYVWUSRDIZKDIT-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2F)CC[NH+]1C ZINC000336615451 380552785 /nfs/dbraw/zinc/55/27/85/380552785.db2.gz MYVWUSRDIZKDIT-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)CC[NH+]1C ZINC000336615451 380552790 /nfs/dbraw/zinc/55/27/90/380552790.db2.gz MYVWUSRDIZKDIT-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH+]ccn21 ZINC000179682970 380572637 /nfs/dbraw/zinc/57/26/37/380572637.db2.gz NPVDSYRLAHRJOJ-UHFFFAOYSA-N 2 2 276.343 2.838 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH+]ccn21 ZINC000179682970 380572644 /nfs/dbraw/zinc/57/26/44/380572644.db2.gz NPVDSYRLAHRJOJ-UHFFFAOYSA-N 2 2 276.343 2.838 20 30 CFEDLP CC(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181388831 380786041 /nfs/dbraw/zinc/78/60/41/380786041.db2.gz ACOGGIKENDCGRV-UHFFFAOYSA-N 2 2 271.408 2.768 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000347007987 380874423 /nfs/dbraw/zinc/87/44/23/380874423.db2.gz DTYLRLYGJIVNGC-OAHLLOKOSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000347007987 380874433 /nfs/dbraw/zinc/87/44/33/380874433.db2.gz DTYLRLYGJIVNGC-OAHLLOKOSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCSCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000358457922 380858796 /nfs/dbraw/zinc/85/87/96/380858796.db2.gz SJRALIDGBLAOBA-UHFFFAOYSA-N 2 2 296.402 2.912 20 30 CFEDLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358564886 380933007 /nfs/dbraw/zinc/93/30/07/380933007.db2.gz XXFIOUWWMMHXCO-NEPJUHHUSA-N 2 2 263.360 2.688 20 30 CFEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289643752 381083044 /nfs/dbraw/zinc/08/30/44/381083044.db2.gz LFYMKYUNQPMEDW-IAGOWNOFSA-N 2 2 274.408 2.893 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CCCc1c[nH+]ccc1C ZINC000289643758 381084024 /nfs/dbraw/zinc/08/40/24/381084024.db2.gz LFYMKYUNQPMEDW-IRXDYDNUSA-N 2 2 274.408 2.893 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000359864657 381647635 /nfs/dbraw/zinc/64/76/35/381647635.db2.gz BMNGVKOHQNXPCE-HLLBOEOZSA-N 2 2 256.393 2.508 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000359864657 381647641 /nfs/dbraw/zinc/64/76/41/381647641.db2.gz BMNGVKOHQNXPCE-HLLBOEOZSA-N 2 2 256.393 2.508 20 30 CFEDLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C#N)cc1 ZINC000371503872 381646471 /nfs/dbraw/zinc/64/64/71/381646471.db2.gz BOCLNSVITIGKEK-CQSZACIVSA-N 2 2 294.402 2.984 20 30 CFEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(C#N)cs1 ZINC000343619843 381847071 /nfs/dbraw/zinc/84/70/71/381847071.db2.gz KPYFMNYZDMQLFU-UHFFFAOYSA-N 2 2 263.410 2.537 20 30 CFEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(C#N)cs1 ZINC000343619843 381847081 /nfs/dbraw/zinc/84/70/81/381847081.db2.gz KPYFMNYZDMQLFU-UHFFFAOYSA-N 2 2 263.410 2.537 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299740834 382041526 /nfs/dbraw/zinc/04/15/26/382041526.db2.gz BZSJURVNZVOCJA-CYBMUJFWSA-N 2 2 296.374 2.674 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)o1 ZINC000299740834 382041531 /nfs/dbraw/zinc/04/15/31/382041531.db2.gz BZSJURVNZVOCJA-CYBMUJFWSA-N 2 2 296.374 2.674 20 30 CFEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000344091156 382122294 /nfs/dbraw/zinc/12/22/94/382122294.db2.gz QUBHKIXEPCYMMU-HYVNUMGLSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000344091156 382122299 /nfs/dbraw/zinc/12/22/99/382122299.db2.gz QUBHKIXEPCYMMU-HYVNUMGLSA-N 2 2 271.408 2.789 20 30 CFEDLP C=C(C)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375511580 382088591 /nfs/dbraw/zinc/08/85/91/382088591.db2.gz GOSNGZUSYJVJTM-IUODEOHRSA-N 2 2 279.453 2.828 20 30 CFEDLP C=C(C)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375511580 382088596 /nfs/dbraw/zinc/08/85/96/382088596.db2.gz GOSNGZUSYJVJTM-IUODEOHRSA-N 2 2 279.453 2.828 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000352106477 382174893 /nfs/dbraw/zinc/17/48/93/382174893.db2.gz WOSLSLBBYWHWSD-IRXDYDNUSA-N 2 2 274.408 2.614 20 30 CFEDLP C=CCOCCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000352106477 382174897 /nfs/dbraw/zinc/17/48/97/382174897.db2.gz WOSLSLBBYWHWSD-IRXDYDNUSA-N 2 2 274.408 2.614 20 30 CFEDLP C=CC[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000358045812 382426517 /nfs/dbraw/zinc/42/65/17/382426517.db2.gz JZIYDIHXVBWEBG-AWEZNQCLSA-N 2 2 259.397 2.600 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([NH+](C)C)CC1 ZINC000189030050 382528124 /nfs/dbraw/zinc/52/81/24/382528124.db2.gz NUKFVVJJKDOMOK-CYBMUJFWSA-N 2 2 257.381 2.645 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000294546885 382515372 /nfs/dbraw/zinc/51/53/72/382515372.db2.gz AXGKYKGUVPHMLC-GFCCVEGCSA-N 2 2 280.799 2.651 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000294546885 382515382 /nfs/dbraw/zinc/51/53/82/382515382.db2.gz AXGKYKGUVPHMLC-GFCCVEGCSA-N 2 2 280.799 2.651 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000353390460 382541169 /nfs/dbraw/zinc/54/11/69/382541169.db2.gz USVGOZNLFVYOIG-FGTMMUONSA-N 2 2 281.403 2.762 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000353390460 382541176 /nfs/dbraw/zinc/54/11/76/382541176.db2.gz USVGOZNLFVYOIG-FGTMMUONSA-N 2 2 281.403 2.762 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000358281647 382545567 /nfs/dbraw/zinc/54/55/67/382545567.db2.gz RRSOYPFDDNSRGB-NSHDSACASA-N 2 2 260.366 2.716 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000366639026 382535488 /nfs/dbraw/zinc/53/54/88/382535488.db2.gz MXMLEIHXPOSPIU-NVXWUHKLSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000366639026 382535492 /nfs/dbraw/zinc/53/54/92/382535492.db2.gz MXMLEIHXPOSPIU-NVXWUHKLSA-N 2 2 283.419 2.933 20 30 CFEDLP C=CCC[C@@H](CO)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000320184208 382536107 /nfs/dbraw/zinc/53/61/07/382536107.db2.gz AAWWFOFBNXCBLN-HNNXBMFYSA-N 2 2 285.391 2.597 20 30 CFEDLP C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000320206428 382536509 /nfs/dbraw/zinc/53/65/09/382536509.db2.gz DNLCAPFZERRQMS-ZBFHGGJFSA-N 2 2 285.391 2.850 20 30 CFEDLP C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000192119200 382704876 /nfs/dbraw/zinc/70/48/76/382704876.db2.gz ITWXGVFCVZMEHG-AEFFLSMTSA-N 2 2 279.387 2.818 20 30 CFEDLP C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000192119200 382704877 /nfs/dbraw/zinc/70/48/77/382704877.db2.gz ITWXGVFCVZMEHG-AEFFLSMTSA-N 2 2 279.387 2.818 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000442785329 382956702 /nfs/dbraw/zinc/95/67/02/382956702.db2.gz VLSYHLXKNRRTFR-DJIMGWMZSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442785329 382956707 /nfs/dbraw/zinc/95/67/07/382956707.db2.gz VLSYHLXKNRRTFR-DJIMGWMZSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000442785330 382956731 /nfs/dbraw/zinc/95/67/31/382956731.db2.gz VLSYHLXKNRRTFR-HYVNUMGLSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000442785330 382956736 /nfs/dbraw/zinc/95/67/36/382956736.db2.gz VLSYHLXKNRRTFR-HYVNUMGLSA-N 2 2 271.408 2.789 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(F)cc3)CC[C@H]21 ZINC000245970606 383054461 /nfs/dbraw/zinc/05/44/61/383054461.db2.gz VOXALUCRIQRMPZ-FUHWJXTLSA-N 2 2 286.394 2.593 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(F)cc3)CC[C@H]21 ZINC000245970606 383054465 /nfs/dbraw/zinc/05/44/65/383054465.db2.gz VOXALUCRIQRMPZ-FUHWJXTLSA-N 2 2 286.394 2.593 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@H]21 ZINC000245970606 383054468 /nfs/dbraw/zinc/05/44/68/383054468.db2.gz VOXALUCRIQRMPZ-FUHWJXTLSA-N 2 2 286.394 2.593 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@H]21 ZINC000245970606 383054471 /nfs/dbraw/zinc/05/44/71/383054471.db2.gz VOXALUCRIQRMPZ-FUHWJXTLSA-N 2 2 286.394 2.593 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(C#N)c3)CC[C@H]21 ZINC000247132977 383146577 /nfs/dbraw/zinc/14/65/77/383146577.db2.gz ATPNPHASHYYZFN-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)c(C#N)c3)CC[C@H]21 ZINC000247132977 383146578 /nfs/dbraw/zinc/14/65/78/383146578.db2.gz ATPNPHASHYYZFN-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)CC[C@H]21 ZINC000247132977 383146582 /nfs/dbraw/zinc/14/65/82/383146582.db2.gz ATPNPHASHYYZFN-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CC[C@H]21 ZINC000247132977 383146584 /nfs/dbraw/zinc/14/65/84/383146584.db2.gz ATPNPHASHYYZFN-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000246866542 383114624 /nfs/dbraw/zinc/11/46/24/383114624.db2.gz AWHBDTVIPVHHCB-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1n1cc[nH+]c1 ZINC000246866542 383114628 /nfs/dbraw/zinc/11/46/28/383114628.db2.gz AWHBDTVIPVHHCB-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]Cc1cccc(C#N)c1 ZINC000518541896 383202228 /nfs/dbraw/zinc/20/22/28/383202228.db2.gz CXIMXHHLQMLUNJ-SFHVURJKSA-N 2 2 279.387 2.910 20 30 CFEDLP C[C@H]1C[NH+](CCC[NH2+]C2CCC(C)(C#N)CC2)C[C@H](C)O1 ZINC000449074241 383161928 /nfs/dbraw/zinc/16/19/28/383161928.db2.gz UHNQYIYSEQLSFD-JUVOFCAFSA-N 2 2 293.455 2.548 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389481 383258796 /nfs/dbraw/zinc/25/87/96/383258796.db2.gz DCPSTWKHDNYZRG-JKSUJKDBSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389481 383258798 /nfs/dbraw/zinc/25/87/98/383258798.db2.gz DCPSTWKHDNYZRG-JKSUJKDBSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449396213 383262116 /nfs/dbraw/zinc/26/21/16/383262116.db2.gz KSIYIWYZHXGXFN-HZPDHXFCSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449396213 383262118 /nfs/dbraw/zinc/26/21/18/383262118.db2.gz KSIYIWYZHXGXFN-HZPDHXFCSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449396212 383262527 /nfs/dbraw/zinc/26/25/27/383262527.db2.gz KSIYIWYZHXGXFN-HOTGVXAUSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449396212 383262530 /nfs/dbraw/zinc/26/25/30/383262530.db2.gz KSIYIWYZHXGXFN-HOTGVXAUSA-N 2 2 268.445 2.558 20 30 CFEDLP Cc1cc(NC[C@@H](C2CCCCC2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425208792 383340502 /nfs/dbraw/zinc/34/05/02/383340502.db2.gz PZMGVPRTRVUMJY-KRWDZBQOSA-N 2 2 286.423 2.606 20 30 CFEDLP C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248832959 383295676 /nfs/dbraw/zinc/29/56/76/383295676.db2.gz ITWXGVFCVZMEHG-FUHWJXTLSA-N 2 2 279.387 2.818 20 30 CFEDLP N#CC1(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCC1 ZINC000450427162 383405606 /nfs/dbraw/zinc/40/56/06/383405606.db2.gz RUAYFPVCDOKRSK-CQSZACIVSA-N 2 2 270.380 2.509 20 30 CFEDLP N#CC1(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCC1 ZINC000450427162 383405610 /nfs/dbraw/zinc/40/56/10/383405610.db2.gz RUAYFPVCDOKRSK-CQSZACIVSA-N 2 2 270.380 2.509 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449694286 383361316 /nfs/dbraw/zinc/36/13/16/383361316.db2.gz BIWDRZSCJYFXJE-CGTJXYLNSA-N 2 2 288.435 2.739 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449694286 383361321 /nfs/dbraw/zinc/36/13/21/383361321.db2.gz BIWDRZSCJYFXJE-CGTJXYLNSA-N 2 2 288.435 2.739 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177965 383767802 /nfs/dbraw/zinc/76/78/02/383767802.db2.gz LZXNFGJDIPBBBD-INIZCTEOSA-N 2 2 272.392 2.626 20 30 CFEDLP N#Cc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000268258520 384584069 /nfs/dbraw/zinc/58/40/69/384584069.db2.gz WRQLFFYRZYVKOY-ZDUSSCGKSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1F ZINC000268258520 384584075 /nfs/dbraw/zinc/58/40/75/384584075.db2.gz WRQLFFYRZYVKOY-ZDUSSCGKSA-N 2 2 284.338 2.800 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)c(F)c1 ZINC000271916394 385400479 /nfs/dbraw/zinc/40/04/79/385400479.db2.gz GOFPPUOBUMJMPL-JCURWCKSSA-N 2 2 287.382 2.975 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)c(F)c1 ZINC000271916394 385400484 /nfs/dbraw/zinc/40/04/84/385400484.db2.gz GOFPPUOBUMJMPL-JCURWCKSSA-N 2 2 287.382 2.975 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000639399946 385518511 /nfs/dbraw/zinc/51/85/11/385518511.db2.gz WJYUPMOSVWSAQS-SFHVURJKSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000639399946 385518514 /nfs/dbraw/zinc/51/85/14/385518514.db2.gz WJYUPMOSVWSAQS-SFHVURJKSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000681083748 542408183 /nfs/dbraw/zinc/40/81/83/542408183.db2.gz YGMADGOQENNFJM-FUHWJXTLSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CCOCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000681083748 542408186 /nfs/dbraw/zinc/40/81/86/542408186.db2.gz YGMADGOQENNFJM-FUHWJXTLSA-N 2 2 288.435 2.689 20 30 CFEDLP N#CCCCOc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000171246180 335060947 /nfs/dbraw/zinc/06/09/47/335060947.db2.gz MEONVWFBUFSKAF-UHFFFAOYSA-N 2 2 287.407 2.555 20 30 CFEDLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191561593 130254493 /nfs/dbraw/zinc/25/44/93/130254493.db2.gz WYMXHZRJIKLGRA-HNNXBMFYSA-N 2 2 296.418 2.507 20 30 CFEDLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191561593 130254495 /nfs/dbraw/zinc/25/44/95/130254495.db2.gz WYMXHZRJIKLGRA-HNNXBMFYSA-N 2 2 296.418 2.507 20 30 CFEDLP C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000191613033 130262919 /nfs/dbraw/zinc/26/29/19/130262919.db2.gz ONOMEUVQDTWGBJ-KSSFIOAISA-N 2 2 296.418 2.678 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000192042625 130356551 /nfs/dbraw/zinc/35/65/51/130356551.db2.gz CHFPKFHBCYSEPH-LJQANCHMSA-N 2 2 282.431 2.846 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000192042625 130356554 /nfs/dbraw/zinc/35/65/54/130356554.db2.gz CHFPKFHBCYSEPH-LJQANCHMSA-N 2 2 282.431 2.846 20 30 CFEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OC)cc1 ZINC000183165131 393517248 /nfs/dbraw/zinc/51/72/48/393517248.db2.gz KQISUSQTCGMRCH-UHFFFAOYSA-N 2 2 285.391 2.970 20 30 CFEDLP C=CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OC)cc1 ZINC000183165131 393517257 /nfs/dbraw/zinc/51/72/57/393517257.db2.gz KQISUSQTCGMRCH-UHFFFAOYSA-N 2 2 285.391 2.970 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000349295224 393966770 /nfs/dbraw/zinc/96/67/70/393966770.db2.gz AMNKNDYBRFNQBO-BGTYHANMSA-N 2 2 283.419 2.789 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000349295224 393966771 /nfs/dbraw/zinc/96/67/71/393966771.db2.gz AMNKNDYBRFNQBO-BGTYHANMSA-N 2 2 283.419 2.789 20 30 CFEDLP C=CCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000359453376 394134966 /nfs/dbraw/zinc/13/49/66/394134966.db2.gz DPZJFPNNRPJDBU-KBPBESRZSA-N 2 2 292.810 2.556 20 30 CFEDLP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000361038162 394163867 /nfs/dbraw/zinc/16/38/67/394163867.db2.gz YSHGYHOPVSLEKW-SJORKVTESA-N 2 2 256.393 2.911 20 30 CFEDLP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000361038162 394163869 /nfs/dbraw/zinc/16/38/69/394163869.db2.gz YSHGYHOPVSLEKW-SJORKVTESA-N 2 2 256.393 2.911 20 30 CFEDLP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361038162 394163871 /nfs/dbraw/zinc/16/38/71/394163871.db2.gz YSHGYHOPVSLEKW-SJORKVTESA-N 2 2 256.393 2.911 20 30 CFEDLP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000361038162 394163874 /nfs/dbraw/zinc/16/38/74/394163874.db2.gz YSHGYHOPVSLEKW-SJORKVTESA-N 2 2 256.393 2.911 20 30 CFEDLP N#Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1F ZINC000421340966 394192048 /nfs/dbraw/zinc/19/20/48/394192048.db2.gz JJUBEWULETYMNE-UHFFFAOYSA-N 2 2 284.338 2.684 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567774058 395083327 /nfs/dbraw/zinc/08/33/27/395083327.db2.gz PUZMDBNMGJJEAJ-NVXWUHKLSA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567774058 395083330 /nfs/dbraw/zinc/08/33/30/395083330.db2.gz PUZMDBNMGJJEAJ-NVXWUHKLSA-N 2 2 283.419 2.790 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3n(n2)CCCC3)CC1 ZINC000647288119 395272413 /nfs/dbraw/zinc/27/24/13/395272413.db2.gz MFVKOKGCTBFBJX-CQSZACIVSA-N 2 2 288.439 2.520 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295127307 397634478 /nfs/dbraw/zinc/63/44/78/397634478.db2.gz ZKTLGLPBAMLTJA-AWEZNQCLSA-N 2 2 289.379 2.509 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000295127307 397634483 /nfs/dbraw/zinc/63/44/83/397634483.db2.gz ZKTLGLPBAMLTJA-AWEZNQCLSA-N 2 2 289.379 2.509 20 30 CFEDLP Cc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1C#N ZINC000362953692 156125476 /nfs/dbraw/zinc/12/54/76/156125476.db2.gz BXIOYZDAMHLSHT-UHFFFAOYSA-N 2 2 283.419 2.927 20 30 CFEDLP N#Cc1ccc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374208423 157082221 /nfs/dbraw/zinc/08/22/21/157082221.db2.gz LRACEDQPEHQPNR-UHFFFAOYSA-N 2 2 296.374 2.540 20 30 CFEDLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccc(C#N)c1 ZINC000423396659 287039315 /nfs/dbraw/zinc/03/93/15/287039315.db2.gz UCPHDQILOSCBBP-CZUORRHYSA-N 2 2 271.408 2.987 20 30 CFEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2([NH+](C)C)CCSC2)C1 ZINC000651727827 413593793 /nfs/dbraw/zinc/59/37/93/413593793.db2.gz CETGFZWZLYZEFR-KFWWJZLASA-N 2 2 268.470 2.758 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)CC(C)(C)C)CC1 ZINC000651700878 413577830 /nfs/dbraw/zinc/57/78/30/413577830.db2.gz XNGQVAMYNBMRBE-HNNXBMFYSA-N 2 2 268.445 2.678 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285539482 196319567 /nfs/dbraw/zinc/31/95/67/196319567.db2.gz PRSILAHJABONBP-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285539482 196319569 /nfs/dbraw/zinc/31/95/69/196319569.db2.gz PRSILAHJABONBP-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C[NH+](Cc1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285539482 196319570 /nfs/dbraw/zinc/31/95/70/196319570.db2.gz PRSILAHJABONBP-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C[NH+](Cc1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285539482 196319572 /nfs/dbraw/zinc/31/95/72/196319572.db2.gz PRSILAHJABONBP-XYPWUTKMSA-N 2 2 287.382 2.754 20 30 CFEDLP C=CCCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655739199 414402984 /nfs/dbraw/zinc/40/29/84/414402984.db2.gz ZNOGYKAJFCLIRL-HOCLYGCPSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CC[C@]1(C(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)CCC[NH2+]1 ZINC000662492590 414551293 /nfs/dbraw/zinc/55/12/93/414551293.db2.gz MCFGFMIVHYXQOJ-MRXNPFEDSA-N 2 2 284.363 2.508 20 30 CFEDLP N#CCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557019 260182648 /nfs/dbraw/zinc/18/26/48/260182648.db2.gz KANLJMQMGSSMLP-INIZCTEOSA-N 2 2 257.381 2.544 20 30 CFEDLP N#CCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081557019 260182650 /nfs/dbraw/zinc/18/26/50/260182650.db2.gz KANLJMQMGSSMLP-INIZCTEOSA-N 2 2 257.381 2.544 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036191 260205785 /nfs/dbraw/zinc/20/57/85/260205785.db2.gz BZHGYCYIXYLQIO-ADKAHSJRSA-N 2 2 283.419 2.684 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036191 260205787 /nfs/dbraw/zinc/20/57/87/260205787.db2.gz BZHGYCYIXYLQIO-ADKAHSJRSA-N 2 2 283.419 2.684 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309937849 262057785 /nfs/dbraw/zinc/05/77/85/262057785.db2.gz DWANAZMTLWQPHP-ZOBUZTSGSA-N 2 2 256.393 2.651 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309937849 262057787 /nfs/dbraw/zinc/05/77/87/262057787.db2.gz DWANAZMTLWQPHP-ZOBUZTSGSA-N 2 2 256.393 2.651 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000192697159 262208817 /nfs/dbraw/zinc/20/88/17/262208817.db2.gz USIPUPBCGORADM-AEFFLSMTSA-N 2 2 298.434 2.718 20 30 CFEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000192937452 262212530 /nfs/dbraw/zinc/21/25/30/262212530.db2.gz HYQJYRVHJWRBAC-UONOGXRCSA-N 2 2 258.369 2.556 20 30 CFEDLP N#C[C@H]1CCC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000192937470 262212775 /nfs/dbraw/zinc/21/27/75/262212775.db2.gz HYQJYRVHJWRBAC-KBPBESRZSA-N 2 2 258.369 2.556 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1Cl ZINC000414929463 263135842 /nfs/dbraw/zinc/13/58/42/263135842.db2.gz NXYUPAUYDLFSCL-DOMZBBRYSA-N 2 2 294.826 2.992 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@H]1CC[C@H](C#N)C1 ZINC000293736996 263148004 /nfs/dbraw/zinc/14/80/04/263148004.db2.gz ZUESPKXVPDOTGG-GJZGRUSLSA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@H]1CC[C@H](C#N)C1 ZINC000293736996 263148005 /nfs/dbraw/zinc/14/80/05/263148005.db2.gz ZUESPKXVPDOTGG-GJZGRUSLSA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@H+](C)[C@H]1CC[C@H](C#N)C1)Cc1ccco1 ZINC000293736996 263148006 /nfs/dbraw/zinc/14/80/06/263148006.db2.gz ZUESPKXVPDOTGG-GJZGRUSLSA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@@H+](C)[C@H]1CC[C@H](C#N)C1)Cc1ccco1 ZINC000293736996 263148007 /nfs/dbraw/zinc/14/80/07/263148007.db2.gz ZUESPKXVPDOTGG-GJZGRUSLSA-N 2 2 275.396 2.726 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000298554681 263221709 /nfs/dbraw/zinc/22/17/09/263221709.db2.gz ONSOXCCUXHWGAM-AWEZNQCLSA-N 2 2 273.380 2.926 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000341326148 263331441 /nfs/dbraw/zinc/33/14/41/263331441.db2.gz WDTHVZVZHCITTJ-XYJFISCASA-N 2 2 288.435 2.596 20 30 CFEDLP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000341326148 263331443 /nfs/dbraw/zinc/33/14/43/263331443.db2.gz WDTHVZVZHCITTJ-XYJFISCASA-N 2 2 288.435 2.596 20 30 CFEDLP CCN(CCC[NH+](CC)CC)c1cc(C)[nH+]cc1C#N ZINC000399546648 266113347 /nfs/dbraw/zinc/11/33/47/266113347.db2.gz BUMSGNJWGCUDEJ-UHFFFAOYSA-N 2 2 274.412 2.820 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000377265044 268061315 /nfs/dbraw/zinc/06/13/15/268061315.db2.gz CKPJSWIMTIWPRH-QGZVFWFLSA-N 2 2 279.387 2.651 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000377265044 268061318 /nfs/dbraw/zinc/06/13/18/268061318.db2.gz CKPJSWIMTIWPRH-QGZVFWFLSA-N 2 2 279.387 2.651 20 30 CFEDLP N#Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(F)c1 ZINC000556432000 281934960 /nfs/dbraw/zinc/93/49/60/281934960.db2.gz HUXCGFQNGKWJRE-UHFFFAOYSA-N 2 2 284.338 2.520 20 30 CFEDLP C#Cc1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000377695485 329025199 /nfs/dbraw/zinc/02/51/99/329025199.db2.gz GKLPOLPMJWXFHL-UHFFFAOYSA-N 2 2 288.354 2.538 20 30 CFEDLP C=CCCC[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378385593 329048239 /nfs/dbraw/zinc/04/82/39/329048239.db2.gz RTSHAUROZZABRY-UHFFFAOYSA-N 2 2 273.424 2.944 20 30 CFEDLP C=CCCC[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378385593 329048241 /nfs/dbraw/zinc/04/82/41/329048241.db2.gz RTSHAUROZZABRY-UHFFFAOYSA-N 2 2 273.424 2.944 20 30 CFEDLP CC(C)(C#N)CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000174856337 329163862 /nfs/dbraw/zinc/16/38/62/329163862.db2.gz CHKPELAHXUTIIQ-UHFFFAOYSA-N 2 2 260.385 2.850 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnc(OC)c2)CC1 ZINC000584387087 329316973 /nfs/dbraw/zinc/31/69/73/329316973.db2.gz FKTCOKDNEPJDKT-CQSZACIVSA-N 2 2 289.423 2.781 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2(OC)CCCC2)CC1 ZINC000421835001 330091635 /nfs/dbraw/zinc/09/16/35/330091635.db2.gz PHDDLAVKGZHINM-AWEZNQCLSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C(C)C ZINC000422838402 330157276 /nfs/dbraw/zinc/15/72/76/330157276.db2.gz XDEDMJWLVURVII-RCCFBDPRSA-N 3 2 293.499 2.663 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cncn2C(C)C)CC1 ZINC000424144204 330289621 /nfs/dbraw/zinc/28/96/21/330289621.db2.gz KSQUOYSNDKUIGS-UHFFFAOYSA-N 2 2 276.428 2.594 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527997776 330299655 /nfs/dbraw/zinc/29/96/55/330299655.db2.gz AWWNDGUERLOLGV-YCPHGPKFSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527997776 330299656 /nfs/dbraw/zinc/29/96/56/330299656.db2.gz AWWNDGUERLOLGV-YCPHGPKFSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000442720897 330780603 /nfs/dbraw/zinc/78/06/03/330780603.db2.gz SFMHEKJJLSTEOY-GJZGRUSLSA-N 2 2 293.480 2.630 20 30 CFEDLP C=C(CC)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026603 331012472 /nfs/dbraw/zinc/01/24/72/331012472.db2.gz LPVFWFRBQIECSK-AWEZNQCLSA-N 2 2 275.396 2.567 20 30 CFEDLP C=C(CC)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026603 331012473 /nfs/dbraw/zinc/01/24/73/331012473.db2.gz LPVFWFRBQIECSK-AWEZNQCLSA-N 2 2 275.396 2.567 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@H]1C[C@H]1C)C(C)C ZINC000488448456 332010153 /nfs/dbraw/zinc/01/01/53/332010153.db2.gz ZTMXOCDYMACHHZ-BZUAXINKSA-N 2 2 250.430 2.931 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000491781486 332345543 /nfs/dbraw/zinc/34/55/43/332345543.db2.gz KLYBDUCRCLOJKV-OAHLLOKOSA-N 2 2 288.439 2.604 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000491781486 332345544 /nfs/dbraw/zinc/34/55/44/332345544.db2.gz KLYBDUCRCLOJKV-OAHLLOKOSA-N 2 2 288.439 2.604 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000491814394 332365826 /nfs/dbraw/zinc/36/58/26/332365826.db2.gz NEACNQKERCGSAK-ZDUSSCGKSA-N 2 2 296.336 2.636 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000491814394 332365827 /nfs/dbraw/zinc/36/58/27/332365827.db2.gz NEACNQKERCGSAK-ZDUSSCGKSA-N 2 2 296.336 2.636 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177541 333526927 /nfs/dbraw/zinc/52/69/27/333526927.db2.gz JYUBBLSQZYKSRC-MRXNPFEDSA-N 2 2 272.392 2.626 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248654956 334311234 /nfs/dbraw/zinc/31/12/34/334311234.db2.gz WAFCJCKICZDWQZ-VDHUWJSZSA-N 2 2 283.419 2.646 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248654956 334311235 /nfs/dbraw/zinc/31/12/35/334311235.db2.gz WAFCJCKICZDWQZ-VDHUWJSZSA-N 2 2 283.419 2.646 20 30 CFEDLP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)ccc1C#N ZINC000423124629 533908260 /nfs/dbraw/zinc/90/82/60/533908260.db2.gz OXEWDJCOLFSUOV-SJORKVTESA-N 2 2 293.370 2.801 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340868543 520728305 /nfs/dbraw/zinc/72/83/05/520728305.db2.gz JKRODGBHHJLUCS-AWEZNQCLSA-N 2 2 289.398 2.861 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340868543 520728316 /nfs/dbraw/zinc/72/83/16/520728316.db2.gz JKRODGBHHJLUCS-AWEZNQCLSA-N 2 2 289.398 2.861 20 30 CFEDLP Cc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1C#N ZINC000336305717 524677989 /nfs/dbraw/zinc/67/79/89/524677989.db2.gz PYLFZCHWRPKFGK-UHFFFAOYSA-N 2 2 280.375 2.969 20 30 CFEDLP Cc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000334951387 524708477 /nfs/dbraw/zinc/70/84/77/524708477.db2.gz NXSMTNRLUFMKLT-INIZCTEOSA-N 2 2 280.375 2.590 20 30 CFEDLP Cc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1C#N ZINC000334951387 524708486 /nfs/dbraw/zinc/70/84/86/524708486.db2.gz NXSMTNRLUFMKLT-INIZCTEOSA-N 2 2 280.375 2.590 20 30 CFEDLP C=C(C)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(CO)o1 ZINC000352796603 526553114 /nfs/dbraw/zinc/55/31/14/526553114.db2.gz GWBRBRCYUUDQGO-OAHLLOKOSA-N 2 2 292.423 2.634 20 30 CFEDLP C=C(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(CO)o1 ZINC000352796603 526553118 /nfs/dbraw/zinc/55/31/18/526553118.db2.gz GWBRBRCYUUDQGO-OAHLLOKOSA-N 2 2 292.423 2.634 20 30 CFEDLP C=C(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(CO)o1 ZINC000352796603 526553121 /nfs/dbraw/zinc/55/31/21/526553121.db2.gz GWBRBRCYUUDQGO-OAHLLOKOSA-N 2 2 292.423 2.634 20 30 CFEDLP C=C(C)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(CO)o1 ZINC000352796603 526553123 /nfs/dbraw/zinc/55/31/23/526553123.db2.gz GWBRBRCYUUDQGO-OAHLLOKOSA-N 2 2 292.423 2.634 20 30 CFEDLP N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336107366 526559021 /nfs/dbraw/zinc/55/90/21/526559021.db2.gz GIGQURKVZYPIHL-ZDUSSCGKSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336107366 526559023 /nfs/dbraw/zinc/55/90/23/526559023.db2.gz GIGQURKVZYPIHL-ZDUSSCGKSA-N 2 2 284.338 2.800 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OC)CC1 ZINC000106246121 526604035 /nfs/dbraw/zinc/60/40/35/526604035.db2.gz ZFMCRZIITVUSJV-UHFFFAOYSA-N 2 2 274.408 2.825 20 30 CFEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000174305000 526622800 /nfs/dbraw/zinc/62/28/00/526622800.db2.gz OLFOBBMHAIMWLX-UHFFFAOYSA-N 2 2 296.305 2.766 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000347100532 526864877 /nfs/dbraw/zinc/86/48/77/526864877.db2.gz LFZNEFMMZQTTMF-OAHLLOKOSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC000347100532 526864882 /nfs/dbraw/zinc/86/48/82/526864882.db2.gz LFZNEFMMZQTTMF-OAHLLOKOSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1ccco1 ZINC000356061802 527448908 /nfs/dbraw/zinc/44/89/08/527448908.db2.gz CSBBEQPZGWGFKK-JKSUJKDBSA-N 2 2 292.423 2.987 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1ccco1 ZINC000356061802 527448914 /nfs/dbraw/zinc/44/89/14/527448914.db2.gz CSBBEQPZGWGFKK-JKSUJKDBSA-N 2 2 292.423 2.987 20 30 CFEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000160658772 528973926 /nfs/dbraw/zinc/97/39/26/528973926.db2.gz ZZMFIHNCGBZMIF-UHFFFAOYSA-N 2 2 275.371 2.613 20 30 CFEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000160658772 528973929 /nfs/dbraw/zinc/97/39/29/528973929.db2.gz ZZMFIHNCGBZMIF-UHFFFAOYSA-N 2 2 275.371 2.613 20 30 CFEDLP C[C@H](C#N)Oc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000728711592 574105494 /nfs/dbraw/zinc/10/54/94/574105494.db2.gz JBUVOOANLGOPDU-OAHLLOKOSA-N 2 2 298.390 2.744 20 30 CFEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C(C)C ZINC000750040068 574322281 /nfs/dbraw/zinc/32/22/81/574322281.db2.gz ROGJFNAEJQJYFU-UHFFFAOYSA-N 2 2 256.353 2.664 20 30 CFEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C(C)C ZINC000750040068 574322284 /nfs/dbraw/zinc/32/22/84/574322284.db2.gz ROGJFNAEJQJYFU-UHFFFAOYSA-N 2 2 256.353 2.664 20 30 CFEDLP C=CCCC[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000735491827 574327099 /nfs/dbraw/zinc/32/70/99/574327099.db2.gz BQPBTYWLRIOYNJ-GOSISDBHSA-N 2 2 288.435 2.569 20 30 CFEDLP C=CCCC[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000735491827 574327100 /nfs/dbraw/zinc/32/71/00/574327100.db2.gz BQPBTYWLRIOYNJ-GOSISDBHSA-N 2 2 288.435 2.569 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C#N)c2)C[C@@H]1C ZINC000892101677 617949468 /nfs/dbraw/zinc/94/94/68/617949468.db2.gz BDGOHAZXICYTIS-GXTWGEPZSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C#N)c2)C[C@@H]1C ZINC000892101677 617949470 /nfs/dbraw/zinc/94/94/70/617949470.db2.gz BDGOHAZXICYTIS-GXTWGEPZSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C#N)c2)C[C@@H]1C ZINC000892101677 617949473 /nfs/dbraw/zinc/94/94/73/617949473.db2.gz BDGOHAZXICYTIS-GXTWGEPZSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C[C@@H]1C ZINC000892101677 617949475 /nfs/dbraw/zinc/94/94/75/617949475.db2.gz BDGOHAZXICYTIS-GXTWGEPZSA-N 2 2 277.437 2.924 20 30 CFEDLP C=CC[NH+]1CCC(Nc2cc(CC)[nH+]c(CC)n2)CC1 ZINC000892397131 618224631 /nfs/dbraw/zinc/22/46/31/618224631.db2.gz RDSXPRSVJOCLJB-UHFFFAOYSA-N 2 2 274.412 2.664 20 30 CFEDLP CC(C)(C[NH2+]CC#Cc1ccccc1)C[NH+]1CCCC1 ZINC000893998564 618268488 /nfs/dbraw/zinc/26/84/88/618268488.db2.gz HKIXBBGKCWHGAX-UHFFFAOYSA-N 2 2 270.420 2.750 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000926763091 618650151 /nfs/dbraw/zinc/65/01/51/618650151.db2.gz SEKQJJXOMBEZGH-UKRRQHHQSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000926763091 618650153 /nfs/dbraw/zinc/65/01/53/618650153.db2.gz SEKQJJXOMBEZGH-UKRRQHHQSA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314037 618940506 /nfs/dbraw/zinc/94/05/06/618940506.db2.gz ITDZQWFZKONITO-JLSDUUJJSA-N 2 2 283.419 2.893 20 30 CFEDLP CC[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000925773177 619089244 /nfs/dbraw/zinc/08/92/44/619089244.db2.gz MFHCDQKBOVHWMQ-CABCVRRESA-N 2 2 289.448 2.900 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924983636 619316776 /nfs/dbraw/zinc/31/67/76/619316776.db2.gz DEDKSPQHVLPMSS-ROUUACIJSA-N 2 2 291.483 2.633 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCCNc1cccc[nH+]1 ZINC000925230619 620052385 /nfs/dbraw/zinc/05/23/85/620052385.db2.gz BVGGPYCAFGTKAI-CYBMUJFWSA-N 2 2 260.385 2.802 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1Cc3ccccc3[C@H]1[NH3+])CC2 ZINC000902436199 621079508 /nfs/dbraw/zinc/07/95/08/621079508.db2.gz XZXAXZIJJXQGRD-IPMKNSEASA-N 2 2 289.382 2.760 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](OCC)C2)CC1 ZINC000902797010 621179210 /nfs/dbraw/zinc/17/92/10/621179210.db2.gz YIFRIFHMHGINFY-CVEARBPZSA-N 2 2 266.429 2.574 20 30 CFEDLP C#CCSCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902871499 621193319 /nfs/dbraw/zinc/19/33/19/621193319.db2.gz PHADENXBUKNWPO-CQSZACIVSA-N 2 2 285.416 2.889 20 30 CFEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCC1 ZINC000903221692 621292934 /nfs/dbraw/zinc/29/29/34/621292934.db2.gz RYTOQPRIBGCRBE-VHRNVKJDSA-N 2 2 273.424 2.818 20 30 CFEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903221692 621292936 /nfs/dbraw/zinc/29/29/36/621292936.db2.gz RYTOQPRIBGCRBE-VHRNVKJDSA-N 2 2 273.424 2.818 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000903464021 621381956 /nfs/dbraw/zinc/38/19/56/621381956.db2.gz WUEYROAXCPBYQU-WBMJQRKESA-N 2 2 271.408 2.734 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000903464021 621381960 /nfs/dbraw/zinc/38/19/60/621381960.db2.gz WUEYROAXCPBYQU-WBMJQRKESA-N 2 2 271.408 2.734 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472615 621389673 /nfs/dbraw/zinc/38/96/73/621389673.db2.gz SZRHLSDQDAHDRE-MRXNPFEDSA-N 2 2 269.392 2.549 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000820809734 622762012 /nfs/dbraw/zinc/76/20/12/622762012.db2.gz HJWJTCXQBYWENP-NVXWUHKLSA-N 2 2 280.456 2.558 20 30 CFEDLP CC/C=C/CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000768922124 627386878 /nfs/dbraw/zinc/38/68/78/627386878.db2.gz KBSCPZQVRFCYEU-AATRIKPKSA-N 2 2 275.396 2.741 20 30 CFEDLP CC/C=C\CCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000768922125 627387041 /nfs/dbraw/zinc/38/70/41/627387041.db2.gz KBSCPZQVRFCYEU-WAYWQWQTSA-N 2 2 275.396 2.741 20 30 CFEDLP NC(=[NH+]OCCC[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000808246305 627406690 /nfs/dbraw/zinc/40/66/90/627406690.db2.gz AMUFCNYNFMZYDS-UHFFFAOYSA-N 2 2 295.814 2.853 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775385738 628018243 /nfs/dbraw/zinc/01/82/43/628018243.db2.gz MNAJHKWTLLHDPX-RBSFLKMASA-N 2 2 298.521 2.606 20 30 CFEDLP CN(C)c1cc[nH+]cc1C=[NH+]OCc1ccccc1 ZINC000776184872 628113098 /nfs/dbraw/zinc/11/30/98/628113098.db2.gz AFYAAHLAYCIXBA-UHFFFAOYSA-N 2 2 255.321 2.698 20 30 CFEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000779062948 628348700 /nfs/dbraw/zinc/34/87/00/628348700.db2.gz WUTQLYZNMYONNN-ZBFHGGJFSA-N 2 2 295.386 2.561 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)nc(Cl)c2)CC1 ZINC000797599464 630085777 /nfs/dbraw/zinc/08/57/77/630085777.db2.gz KELRGTXHYJXSPP-UHFFFAOYSA-N 2 2 279.815 2.783 20 30 CFEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044988 631319711 /nfs/dbraw/zinc/31/97/11/631319711.db2.gz HGERGFDRQCTSFX-CZUORRHYSA-N 2 2 261.413 2.697 20 30 CFEDLP C#CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000848536524 633281393 /nfs/dbraw/zinc/28/13/93/633281393.db2.gz QUOBKNRYIZRMBG-MOPGFXCFSA-N 2 2 298.430 2.594 20 30 CFEDLP C#CCOc1cccc(Cl)c1C[NH2+]CCC[NH+]1CCC1 ZINC000848545963 633285538 /nfs/dbraw/zinc/28/55/38/633285538.db2.gz OMTXRUORDMGLFG-UHFFFAOYSA-N 2 2 292.810 2.537 20 30 CFEDLP C=CCCSCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000850354259 633952021 /nfs/dbraw/zinc/95/20/21/633952021.db2.gz BQIDHPSMOZREBR-UHFFFAOYSA-N 2 2 285.482 2.604 20 30 CFEDLP C=C(C)C[NH+]1CCC(Nc2cc(NCCC)[nH+]cn2)CC1 ZINC000865523016 638394268 /nfs/dbraw/zinc/39/42/68/638394268.db2.gz ZRMTXEJUJUEDED-UHFFFAOYSA-N 2 2 289.427 2.751 20 30 CFEDLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866240770 638777688 /nfs/dbraw/zinc/77/76/88/638777688.db2.gz MXOWORAYVASSGI-ZIAGYGMSSA-N 2 2 287.407 2.646 20 30 CFEDLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866240770 638777689 /nfs/dbraw/zinc/77/76/89/638777689.db2.gz MXOWORAYVASSGI-ZIAGYGMSSA-N 2 2 287.407 2.646 20 30 CFEDLP C#C[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000872140655 641668286 /nfs/dbraw/zinc/66/82/86/641668286.db2.gz UVZSRLYVYIYEFG-WKILWMFISA-N 2 2 283.419 2.832 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000194062166 650714621 /nfs/dbraw/zinc/71/46/21/650714621.db2.gz IZSAOXHXLGLPHJ-UHFFFAOYSA-N 2 2 298.430 2.663 20 30 CFEDLP C=CCC[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CCCO1 ZINC000883217856 645671243 /nfs/dbraw/zinc/67/12/43/645671243.db2.gz OZSJMIJVZUXFHQ-LSDHHAIUSA-N 2 2 266.429 2.574 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[NH+]1CCCCCC1 ZINC000924606158 648006090 /nfs/dbraw/zinc/00/60/90/648006090.db2.gz BAXQCABJNJJAKG-CQSZACIVSA-N 2 2 251.418 2.780 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1[C@H](C)COC[C@H]1C)C(C)C ZINC000924644179 648017380 /nfs/dbraw/zinc/01/73/80/648017380.db2.gz UOBRHBFYRAKRMP-BRWVUGGUSA-N 2 2 294.483 2.946 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C2CCC2)CC1 ZINC000924983078 648084472 /nfs/dbraw/zinc/08/44/72/648084472.db2.gz ATMNMBYYQUYYHQ-AWEZNQCLSA-N 2 2 288.439 2.909 20 30 CFEDLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924999688 648086515 /nfs/dbraw/zinc/08/65/15/648086515.db2.gz GBYIMVFCCZSPMI-AWEZNQCLSA-N 2 2 295.471 2.794 20 30 CFEDLP C[N@@H+]1CC[C@@H]2C[NH+](CC#Cc3ccccc3Cl)C[C@@H]2C1 ZINC000931440479 649427735 /nfs/dbraw/zinc/42/77/35/649427735.db2.gz VNOBVXNFGIQISF-CVEARBPZSA-N 2 2 288.822 2.575 20 30 CFEDLP C[N@H+]1CC[C@@H]2C[NH+](CC#Cc3ccccc3Cl)C[C@@H]2C1 ZINC000931440479 649427737 /nfs/dbraw/zinc/42/77/37/649427737.db2.gz VNOBVXNFGIQISF-CVEARBPZSA-N 2 2 288.822 2.575 20 30 CFEDLP C[NH+]1CC[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@@H]2C1 ZINC000931440479 649427739 /nfs/dbraw/zinc/42/77/39/649427739.db2.gz VNOBVXNFGIQISF-CVEARBPZSA-N 2 2 288.822 2.575 20 30 CFEDLP C[NH+]1CC[C@@H]2C[N@@H+](CC#Cc3ccccc3Cl)C[C@@H]2C1 ZINC000931440479 649427740 /nfs/dbraw/zinc/42/77/40/649427740.db2.gz VNOBVXNFGIQISF-CVEARBPZSA-N 2 2 288.822 2.575 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204937532 776973345 /nfs/dbraw/zinc/97/33/45/776973345.db2.gz DFUWMZMHIFUASG-MRXNPFEDSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204937532 776973348 /nfs/dbraw/zinc/97/33/48/776973348.db2.gz DFUWMZMHIFUASG-MRXNPFEDSA-N 2 2 260.381 2.565 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001231620863 777281741 /nfs/dbraw/zinc/28/17/41/777281741.db2.gz FVYIKIKQENIDPV-UHFFFAOYSA-N 2 2 274.408 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001231620863 777281747 /nfs/dbraw/zinc/28/17/47/777281747.db2.gz FVYIKIKQENIDPV-UHFFFAOYSA-N 2 2 274.408 2.777 20 30 CFEDLP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001232844914 777691763 /nfs/dbraw/zinc/69/17/63/777691763.db2.gz FWZQJYQGVHVQBO-UHFFFAOYSA-N 2 2 298.415 2.645 20 30 CFEDLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235524216 778511362 /nfs/dbraw/zinc/51/13/62/778511362.db2.gz COSLNAHCPJHBBB-UHFFFAOYSA-N 2 2 283.419 2.811 20 30 CFEDLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235524216 778511363 /nfs/dbraw/zinc/51/13/63/778511363.db2.gz COSLNAHCPJHBBB-UHFFFAOYSA-N 2 2 283.419 2.811 20 30 CFEDLP N#CCc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001235529839 778513567 /nfs/dbraw/zinc/51/35/67/778513567.db2.gz PWEXFHZCGASWEH-UHFFFAOYSA-N 2 2 280.375 2.786 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]CC[C@H](C)[NH+](C)C ZINC000697903560 778516578 /nfs/dbraw/zinc/51/65/78/778516578.db2.gz KVWGQXLDSOQIEF-AWEZNQCLSA-N 2 2 262.397 2.681 20 30 CFEDLP N#CCC1([NH2+]C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001168371372 778678108 /nfs/dbraw/zinc/67/81/08/778678108.db2.gz KKPLBWHUDOGDRI-UHFFFAOYSA-N 2 2 261.413 2.677 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236203403 778734048 /nfs/dbraw/zinc/73/40/48/778734048.db2.gz XZZXAXAMOOLIAU-QGZVFWFLSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236203403 778734052 /nfs/dbraw/zinc/73/40/52/778734052.db2.gz XZZXAXAMOOLIAU-QGZVFWFLSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCc1cccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1O ZINC001236206889 778735015 /nfs/dbraw/zinc/73/50/15/778735015.db2.gz LFPYHNAEXZJFRO-QGZVFWFLSA-N 2 2 274.408 2.695 20 30 CFEDLP C=CCc1cccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1O ZINC001236206889 778735019 /nfs/dbraw/zinc/73/50/19/778735019.db2.gz LFPYHNAEXZJFRO-QGZVFWFLSA-N 2 2 274.408 2.695 20 30 CFEDLP CCCCCCCC[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236332792 778784819 /nfs/dbraw/zinc/78/48/19/778784819.db2.gz IAWRQVOHSURRQY-OAHLLOKOSA-N 2 2 256.434 2.657 20 30 CFEDLP CCCCCCCC[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236332792 778784825 /nfs/dbraw/zinc/78/48/25/778784825.db2.gz IAWRQVOHSURRQY-OAHLLOKOSA-N 2 2 256.434 2.657 20 30 CFEDLP Cn1cc(C[N@H+](C)C2CC[NH+](C)CC2)c2cc(C#N)ccc21 ZINC001237466988 779114815 /nfs/dbraw/zinc/11/48/15/779114815.db2.gz QARFDTPORCZPOK-UHFFFAOYSA-N 2 2 296.418 2.576 20 30 CFEDLP Cn1cc(C[N@@H+](C)C2CC[NH+](C)CC2)c2cc(C#N)ccc21 ZINC001237466988 779114817 /nfs/dbraw/zinc/11/48/17/779114817.db2.gz QARFDTPORCZPOK-UHFFFAOYSA-N 2 2 296.418 2.576 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1Cl ZINC001205109116 779231945 /nfs/dbraw/zinc/23/19/45/779231945.db2.gz BBYSWRXXCGUWSF-ZDUSSCGKSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1Cl ZINC001205109116 779231951 /nfs/dbraw/zinc/23/19/51/779231951.db2.gz BBYSWRXXCGUWSF-ZDUSSCGKSA-N 2 2 263.772 2.525 20 30 CFEDLP Cc1cn2cc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)ccc2[nH+]1 ZINC001240350918 780102320 /nfs/dbraw/zinc/10/23/20/780102320.db2.gz HOCLKWKNSABYLW-UHFFFAOYSA-N 2 2 288.354 2.868 20 30 CFEDLP N#Cc1cc(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241658591 781051907 /nfs/dbraw/zinc/05/19/07/781051907.db2.gz HGWGAJXMWBJXRA-SFHVURJKSA-N 2 2 295.361 2.897 20 30 CFEDLP N#Cc1cc(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001241658591 781051916 /nfs/dbraw/zinc/05/19/16/781051916.db2.gz HGWGAJXMWBJXRA-SFHVURJKSA-N 2 2 295.361 2.897 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000709979073 781324951 /nfs/dbraw/zinc/32/49/51/781324951.db2.gz FVAOKAXSHGGYTH-QWHCGFSZSA-N 2 2 251.418 2.777 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000709979073 781324956 /nfs/dbraw/zinc/32/49/56/781324956.db2.gz FVAOKAXSHGGYTH-QWHCGFSZSA-N 2 2 251.418 2.777 20 30 CFEDLP C#Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001242296240 781375066 /nfs/dbraw/zinc/37/50/66/781375066.db2.gz YGRGZSNUXRRDCD-LJQANCHMSA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1 ZINC001242296240 781375079 /nfs/dbraw/zinc/37/50/79/781375079.db2.gz YGRGZSNUXRRDCD-LJQANCHMSA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001242296239 781375173 /nfs/dbraw/zinc/37/51/73/781375173.db2.gz YGRGZSNUXRRDCD-IBGZPJMESA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1 ZINC001242296239 781375182 /nfs/dbraw/zinc/37/51/82/781375182.db2.gz YGRGZSNUXRRDCD-IBGZPJMESA-N 2 2 276.383 2.868 20 30 CFEDLP N#Cc1ccccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242717210 781716984 /nfs/dbraw/zinc/71/69/84/781716984.db2.gz QPASPKCFMJEAPL-KRWDZBQOSA-N 2 2 277.371 2.758 20 30 CFEDLP N#Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242717210 781716992 /nfs/dbraw/zinc/71/69/92/781716992.db2.gz QPASPKCFMJEAPL-KRWDZBQOSA-N 2 2 277.371 2.758 20 30 CFEDLP C[C@H]1CC(=O)C=C(c2cccc(C[NH+]3CCC([NH3+])CC3)c2)C1 ZINC001242743737 781736788 /nfs/dbraw/zinc/73/67/88/781736788.db2.gz ARYSFMXTMOKAQT-CQSZACIVSA-N 2 2 298.430 2.992 20 30 CFEDLP Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1C#N ZINC001242768563 781752332 /nfs/dbraw/zinc/75/23/32/781752332.db2.gz SGTSNLPGZQBKBN-UHFFFAOYSA-N 2 2 288.354 2.868 20 30 CFEDLP CC(C)(C)[NH2+]CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594581065 349451112 /nfs/dbraw/zinc/45/11/12/349451112.db2.gz JKKHCULVAQHSIH-UHFFFAOYSA-N 2 2 271.408 2.915 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)[C@H](C)C1 ZINC000595091034 349578484 /nfs/dbraw/zinc/57/84/84/349578484.db2.gz MATZWJAXFGKTPO-HUUCEWRRSA-N 2 2 263.429 2.780 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH2+]CC2(C#N)CCCCC2)[C@H](C)C1 ZINC000595091034 349578487 /nfs/dbraw/zinc/57/84/87/349578487.db2.gz MATZWJAXFGKTPO-HUUCEWRRSA-N 2 2 263.429 2.780 20 30 CFEDLP N#CC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCCCC1 ZINC000595091661 349578726 /nfs/dbraw/zinc/57/87/26/349578726.db2.gz SXBXJFTZOZXNCX-UHFFFAOYSA-N 2 2 261.413 2.677 20 30 CFEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097194 349581307 /nfs/dbraw/zinc/58/13/07/349581307.db2.gz RWXCCUOIMRIOMM-WBVHZDCISA-N 2 2 269.392 2.619 20 30 CFEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097194 349581311 /nfs/dbraw/zinc/58/13/11/349581311.db2.gz RWXCCUOIMRIOMM-WBVHZDCISA-N 2 2 269.392 2.619 20 30 CFEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595505030 349644806 /nfs/dbraw/zinc/64/48/06/349644806.db2.gz PNXLQPSSOOZKDP-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595505030 349644808 /nfs/dbraw/zinc/64/48/08/349644808.db2.gz PNXLQPSSOOZKDP-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595505030 349644811 /nfs/dbraw/zinc/64/48/11/349644811.db2.gz PNXLQPSSOOZKDP-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000595505030 349644814 /nfs/dbraw/zinc/64/48/14/349644814.db2.gz PNXLQPSSOOZKDP-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[C@H](CCC#N)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509833 349647115 /nfs/dbraw/zinc/64/71/15/349647115.db2.gz XANDRTWILYNDKK-OAHLLOKOSA-N 2 2 271.408 2.933 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC(C)(C)[NH3+] ZINC000595900934 349765342 /nfs/dbraw/zinc/76/53/42/349765342.db2.gz PKAYUUSIKPAPCB-UHFFFAOYSA-N 2 2 285.313 2.746 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC(C)(C)[NH3+] ZINC000595900934 349765345 /nfs/dbraw/zinc/76/53/45/349765345.db2.gz PKAYUUSIKPAPCB-UHFFFAOYSA-N 2 2 285.313 2.746 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000295021844 199304334 /nfs/dbraw/zinc/30/43/34/199304334.db2.gz NTSQSKXVFUTHAV-INIZCTEOSA-N 2 2 294.826 2.572 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000295021844 199304336 /nfs/dbraw/zinc/30/43/36/199304336.db2.gz NTSQSKXVFUTHAV-INIZCTEOSA-N 2 2 294.826 2.572 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412655 348295317 /nfs/dbraw/zinc/29/53/17/348295317.db2.gz AKWRRPLWNQWBPG-DLBZAZTESA-N 2 2 269.392 2.522 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252412655 348295319 /nfs/dbraw/zinc/29/53/19/348295319.db2.gz AKWRRPLWNQWBPG-DLBZAZTESA-N 2 2 269.392 2.522 20 30 CFEDLP C=C(C)C[NH+](C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000368178622 348515812 /nfs/dbraw/zinc/51/58/12/348515812.db2.gz IOYOSHQEGSBGMK-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP C=C(C)C[NH+](C)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000368178622 348515815 /nfs/dbraw/zinc/51/58/15/348515815.db2.gz IOYOSHQEGSBGMK-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP C=C(C)C[N@@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000368178622 348515818 /nfs/dbraw/zinc/51/58/18/348515818.db2.gz IOYOSHQEGSBGMK-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP C=C(C)C[N@H+](C)Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000368178622 348515819 /nfs/dbraw/zinc/51/58/19/348515819.db2.gz IOYOSHQEGSBGMK-UHFFFAOYSA-N 2 2 279.453 2.918 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000589338843 348828372 /nfs/dbraw/zinc/82/83/72/348828372.db2.gz KNVTVHIHEMUKDD-SJLPKXTDSA-N 2 2 281.403 2.619 20 30 CFEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000589338843 348828375 /nfs/dbraw/zinc/82/83/75/348828375.db2.gz KNVTVHIHEMUKDD-SJLPKXTDSA-N 2 2 281.403 2.619 20 30 CFEDLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570779 349030078 /nfs/dbraw/zinc/03/00/78/349030078.db2.gz NPAZKNXTWDBIPX-ACJLOTCBSA-N 2 2 297.377 2.745 20 30 CFEDLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000591577880 349031151 /nfs/dbraw/zinc/03/11/51/349031151.db2.gz LQOBTTNYISIMGI-HOTGVXAUSA-N 2 2 257.381 2.741 20 30 CFEDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591578272 349031864 /nfs/dbraw/zinc/03/18/64/349031864.db2.gz KACPDZOGBLKTLK-JLZZUVOBSA-N 2 2 269.392 2.523 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000591582644 349032612 /nfs/dbraw/zinc/03/26/12/349032612.db2.gz RPXSGKLYMZZFLY-RDJZCZTQSA-N 2 2 269.392 2.667 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(CC)[nH+]cn1)C(C)C ZINC000592455191 349122298 /nfs/dbraw/zinc/12/22/98/349122298.db2.gz KUZLOEPPYGJYHX-INIZCTEOSA-N 2 2 288.439 2.571 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000594499735 349431853 /nfs/dbraw/zinc/43/18/53/349431853.db2.gz HWPCTZMHDIJSFC-INIZCTEOSA-N 2 2 294.402 2.789 20 30 CFEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(CC#N)C1 ZINC000597194739 350050530 /nfs/dbraw/zinc/05/05/30/350050530.db2.gz ZNTWGGZASMWGHD-UHFFFAOYSA-N 2 2 285.435 2.990 20 30 CFEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(CC#N)C1 ZINC000597194739 350050532 /nfs/dbraw/zinc/05/05/32/350050532.db2.gz ZNTWGGZASMWGHD-UHFFFAOYSA-N 2 2 285.435 2.990 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1C#N ZINC000601327590 350724491 /nfs/dbraw/zinc/72/44/91/350724491.db2.gz XBZVHWJUVXBELH-INIZCTEOSA-N 2 2 257.381 2.570 20 30 CFEDLP Cc1ccc(C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1C#N ZINC000601327590 350724492 /nfs/dbraw/zinc/72/44/92/350724492.db2.gz XBZVHWJUVXBELH-INIZCTEOSA-N 2 2 257.381 2.570 20 30 CFEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602003253 350828035 /nfs/dbraw/zinc/82/80/35/350828035.db2.gz SLMZFIIHAFTWSL-AWEZNQCLSA-N 2 2 289.398 2.907 20 30 CFEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602003253 350828037 /nfs/dbraw/zinc/82/80/37/350828037.db2.gz SLMZFIIHAFTWSL-AWEZNQCLSA-N 2 2 289.398 2.907 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000602530759 350916246 /nfs/dbraw/zinc/91/62/46/350916246.db2.gz SOWIPYZHLUHLDT-HNNXBMFYSA-N 2 2 259.397 2.648 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000602530759 350916251 /nfs/dbraw/zinc/91/62/51/350916251.db2.gz SOWIPYZHLUHLDT-HNNXBMFYSA-N 2 2 259.397 2.648 20 30 CFEDLP N#CC1CCC([NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000602594430 350939000 /nfs/dbraw/zinc/93/90/00/350939000.db2.gz WKJQKNRFZSDXFM-UHFFFAOYSA-N 2 2 268.364 2.549 20 30 CFEDLP COc1ccc([C@@H](C[NH+](C)C)[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602653805 350962748 /nfs/dbraw/zinc/96/27/48/350962748.db2.gz PBHOHEWUJRPPTR-RHSMWYFYSA-N 2 2 289.423 2.827 20 30 CFEDLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(F)c1C#N ZINC000602661954 350965667 /nfs/dbraw/zinc/96/56/67/350965667.db2.gz JLPLUWLTOHTEFW-UHFFFAOYSA-N 2 2 277.387 2.861 20 30 CFEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(F)c1C#N ZINC000602661954 350965669 /nfs/dbraw/zinc/96/56/69/350965669.db2.gz JLPLUWLTOHTEFW-UHFFFAOYSA-N 2 2 277.387 2.861 20 30 CFEDLP N#CC1CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000602631797 350953340 /nfs/dbraw/zinc/95/33/40/350953340.db2.gz HLIVUHJQLROAOO-ZBCRRDGASA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC1CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000602631797 350953342 /nfs/dbraw/zinc/95/33/42/350953342.db2.gz HLIVUHJQLROAOO-ZBCRRDGASA-N 2 2 261.413 2.675 20 30 CFEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610447659 351566424 /nfs/dbraw/zinc/56/64/24/351566424.db2.gz LYSPBFQEHLQRRU-CQSZACIVSA-N 2 2 260.385 2.850 20 30 CFEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000610447659 351566428 /nfs/dbraw/zinc/56/64/28/351566428.db2.gz LYSPBFQEHLQRRU-CQSZACIVSA-N 2 2 260.385 2.850 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000611390118 351679328 /nfs/dbraw/zinc/67/93/28/351679328.db2.gz CRNQXIWNCFKMPY-QGZVFWFLSA-N 2 2 269.392 2.621 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000123841945 187110826 /nfs/dbraw/zinc/11/08/26/187110826.db2.gz OAGDRJRAXRBSQO-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000123841945 187110827 /nfs/dbraw/zinc/11/08/27/187110827.db2.gz OAGDRJRAXRBSQO-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)CC[NH+]1C ZINC000123841945 187110828 /nfs/dbraw/zinc/11/08/28/187110828.db2.gz OAGDRJRAXRBSQO-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)CC[NH+]1C ZINC000123841945 187110829 /nfs/dbraw/zinc/11/08/29/187110829.db2.gz OAGDRJRAXRBSQO-WFASDCNBSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000123841753 187111225 /nfs/dbraw/zinc/11/12/25/187111225.db2.gz OAGDRJRAXRBSQO-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC000123841753 187111226 /nfs/dbraw/zinc/11/12/26/187111226.db2.gz OAGDRJRAXRBSQO-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)CC[NH+]1C ZINC000123841753 187111227 /nfs/dbraw/zinc/11/12/27/187111227.db2.gz OAGDRJRAXRBSQO-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)CC[NH+]1C ZINC000123841753 187111228 /nfs/dbraw/zinc/11/12/28/187111228.db2.gz OAGDRJRAXRBSQO-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cn3ccccc3c2C#N)CC[N@@H+]1C ZINC000123850184 187111566 /nfs/dbraw/zinc/11/15/66/187111566.db2.gz STVHHYATZIQVTM-HOCLYGCPSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cn3ccccc3c2C#N)CC[N@H+]1C ZINC000123850184 187111567 /nfs/dbraw/zinc/11/15/67/187111567.db2.gz STVHHYATZIQVTM-HOCLYGCPSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn3ccccc3c2C#N)CC[NH+]1C ZINC000123850184 187111568 /nfs/dbraw/zinc/11/15/68/187111568.db2.gz STVHHYATZIQVTM-HOCLYGCPSA-N 2 2 296.418 2.725 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)CC[NH+]1C ZINC000123850184 187111569 /nfs/dbraw/zinc/11/15/69/187111569.db2.gz STVHHYATZIQVTM-HOCLYGCPSA-N 2 2 296.418 2.725 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000614403399 352090386 /nfs/dbraw/zinc/09/03/86/352090386.db2.gz WNRFNGAVJXXTSN-UHFFFAOYSA-N 2 2 283.419 2.927 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000614403399 352090389 /nfs/dbraw/zinc/09/03/89/352090389.db2.gz WNRFNGAVJXXTSN-UHFFFAOYSA-N 2 2 283.419 2.927 20 30 CFEDLP Cn1cc[nH+]c1C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000619672831 353047897 /nfs/dbraw/zinc/04/78/97/353047897.db2.gz KNKRGGXMRFPORY-PVAVHDDUSA-N 2 2 294.402 2.986 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)CC[C@@H]21 ZINC000158623596 188386344 /nfs/dbraw/zinc/38/63/44/188386344.db2.gz ATPNPHASHYYZFN-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)c(C#N)c3)CC[C@@H]21 ZINC000158623596 188386346 /nfs/dbraw/zinc/38/63/46/188386346.db2.gz ATPNPHASHYYZFN-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)c(C#N)c3)CC[C@@H]21 ZINC000158623596 188386347 /nfs/dbraw/zinc/38/63/47/188386347.db2.gz ATPNPHASHYYZFN-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(C#N)c3)CC[C@@H]21 ZINC000158623596 188386348 /nfs/dbraw/zinc/38/63/48/188386348.db2.gz ATPNPHASHYYZFN-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OC)c2F)CC1 ZINC000192680901 540136136 /nfs/dbraw/zinc/13/61/36/540136136.db2.gz LQDKWORHDMNJJX-UHFFFAOYSA-N 2 2 292.398 2.964 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ncc2F)CC1 ZINC000287585834 540193412 /nfs/dbraw/zinc/19/34/12/540193412.db2.gz HSPBCMDKZUUQAX-GFCCVEGCSA-N 2 2 293.386 2.530 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000294914478 199246412 /nfs/dbraw/zinc/24/64/12/199246412.db2.gz GJSQWLOCFRXKAW-GFCCVEGCSA-N 2 2 266.335 2.571 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000294914478 199246414 /nfs/dbraw/zinc/24/64/14/199246414.db2.gz GJSQWLOCFRXKAW-GFCCVEGCSA-N 2 2 266.335 2.571 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000177908333 189078219 /nfs/dbraw/zinc/07/82/19/189078219.db2.gz RWSVZHRDPWCVHU-AWEZNQCLSA-N 2 2 286.419 2.923 20 30 CFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000180005531 189232307 /nfs/dbraw/zinc/23/23/07/189232307.db2.gz QBZZHERXNWUBNE-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC000180005531 189232308 /nfs/dbraw/zinc/23/23/08/189232308.db2.gz QBZZHERXNWUBNE-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000180005531 189232309 /nfs/dbraw/zinc/23/23/09/189232309.db2.gz QBZZHERXNWUBNE-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000180005531 189232310 /nfs/dbraw/zinc/23/23/10/189232310.db2.gz QBZZHERXNWUBNE-ZDUSSCGKSA-N 2 2 277.437 2.783 20 30 CFEDLP Fc1ccc(C#CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000676558983 541767402 /nfs/dbraw/zinc/76/74/02/541767402.db2.gz UOABWTLZDSFYQF-KRWDZBQOSA-N 2 2 283.350 2.711 20 30 CFEDLP Fc1ccc(C#CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000676558983 541767405 /nfs/dbraw/zinc/76/74/05/541767405.db2.gz UOABWTLZDSFYQF-KRWDZBQOSA-N 2 2 283.350 2.711 20 30 CFEDLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000329217893 227358080 /nfs/dbraw/zinc/35/80/80/227358080.db2.gz QZTXFJCWEYELNB-ZDUSSCGKSA-N 2 2 276.384 2.663 20 30 CFEDLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000329217893 227358085 /nfs/dbraw/zinc/35/80/85/227358085.db2.gz QZTXFJCWEYELNB-ZDUSSCGKSA-N 2 2 276.384 2.663 20 30 CFEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000093753037 375305355 /nfs/dbraw/zinc/30/53/55/375305355.db2.gz NPUVQSLDDAEHJH-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)cs2)C1 ZINC000093753037 375305362 /nfs/dbraw/zinc/30/53/62/375305362.db2.gz NPUVQSLDDAEHJH-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000093753037 375305365 /nfs/dbraw/zinc/30/53/65/375305365.db2.gz NPUVQSLDDAEHJH-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000093753037 375305369 /nfs/dbraw/zinc/30/53/69/375305369.db2.gz NPUVQSLDDAEHJH-CYBMUJFWSA-N 2 2 277.437 2.783 20 30 CFEDLP C=C(Br)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918307 375794099 /nfs/dbraw/zinc/79/40/99/375794099.db2.gz LCTGIEHOUTWGKP-UHFFFAOYSA-N 2 2 298.228 2.583 20 30 CFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000123831612 376986234 /nfs/dbraw/zinc/98/62/34/376986234.db2.gz WLKCMVXNUPWPMD-QGZVFWFLSA-N 2 2 294.402 2.746 20 30 CFEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000126726841 377245465 /nfs/dbraw/zinc/24/54/65/377245465.db2.gz IDDINFRXGCFRCK-UHFFFAOYSA-N 2 2 285.435 2.833 20 30 CFEDLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000328782017 378423900 /nfs/dbraw/zinc/42/39/00/378423900.db2.gz MZMATAYJYMDBCF-OAHLLOKOSA-N 2 2 290.411 2.972 20 30 CFEDLP Cc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1C#N ZINC000334494103 379388427 /nfs/dbraw/zinc/38/84/27/379388427.db2.gz ZHMJOYXTMITKGS-UHFFFAOYSA-N 2 2 280.375 2.900 20 30 CFEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000174377189 379873390 /nfs/dbraw/zinc/87/33/90/379873390.db2.gz UHRMMTBNNCZHMB-AWEZNQCLSA-N 2 2 251.418 2.780 20 30 CFEDLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000174377189 379873395 /nfs/dbraw/zinc/87/33/95/379873395.db2.gz UHRMMTBNNCZHMB-AWEZNQCLSA-N 2 2 251.418 2.780 20 30 CFEDLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)(C)C#N ZINC000354039122 381037956 /nfs/dbraw/zinc/03/79/56/381037956.db2.gz MUJAOXNBTOTDLX-UHFFFAOYSA-N 2 2 274.393 2.915 20 30 CFEDLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC(C)(C)C#N ZINC000354039122 381037963 /nfs/dbraw/zinc/03/79/63/381037963.db2.gz MUJAOXNBTOTDLX-UHFFFAOYSA-N 2 2 274.393 2.915 20 30 CFEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000342810134 381558347 /nfs/dbraw/zinc/55/83/47/381558347.db2.gz OUGTXQZAHHVHDI-DYVFJYSZSA-N 2 2 281.403 2.620 20 30 CFEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000342810134 381558348 /nfs/dbraw/zinc/55/83/48/381558348.db2.gz OUGTXQZAHHVHDI-DYVFJYSZSA-N 2 2 281.403 2.620 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](C#N)CCC#N ZINC000361666175 381855848 /nfs/dbraw/zinc/85/58/48/381855848.db2.gz CPFAPRNCWZCDCP-HOTGVXAUSA-N 2 2 299.422 2.914 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](C#N)CCC#N ZINC000361666175 381855855 /nfs/dbraw/zinc/85/58/55/381855855.db2.gz CPFAPRNCWZCDCP-HOTGVXAUSA-N 2 2 299.422 2.914 20 30 CFEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000373237272 381958620 /nfs/dbraw/zinc/95/86/20/381958620.db2.gz PIGGRQOHKBOSKH-UHFFFAOYSA-N 2 2 297.358 2.898 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1COC(C)(C)C1)C(C)C ZINC000417864737 382086375 /nfs/dbraw/zinc/08/63/75/382086375.db2.gz UPZYVFQYMZCBCG-HOTGVXAUSA-N 2 2 280.456 2.842 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000352106476 382175084 /nfs/dbraw/zinc/17/50/84/382175084.db2.gz WOSLSLBBYWHWSD-IAGOWNOFSA-N 2 2 274.408 2.614 20 30 CFEDLP C=CCOCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352106476 382175086 /nfs/dbraw/zinc/17/50/86/382175086.db2.gz WOSLSLBBYWHWSD-IAGOWNOFSA-N 2 2 274.408 2.614 20 30 CFEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)CCC2 ZINC000365732637 382435792 /nfs/dbraw/zinc/43/57/92/382435792.db2.gz FVBSLNYPCMVRII-ILXRZTDVSA-N 2 2 272.396 2.741 20 30 CFEDLP C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000346820438 382528382 /nfs/dbraw/zinc/52/83/82/382528382.db2.gz HUBJNZCJDYRFSV-CQSZACIVSA-N 2 2 262.372 2.813 20 30 CFEDLP C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCC[NH2+]C1 ZINC000346820438 382528387 /nfs/dbraw/zinc/52/83/87/382528387.db2.gz HUBJNZCJDYRFSV-CQSZACIVSA-N 2 2 262.372 2.813 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000294967644 382556525 /nfs/dbraw/zinc/55/65/25/382556525.db2.gz JTBMIXHWXVGOGK-QGZVFWFLSA-N 2 2 273.424 2.714 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000294967644 382556531 /nfs/dbraw/zinc/55/65/31/382556531.db2.gz JTBMIXHWXVGOGK-QGZVFWFLSA-N 2 2 273.424 2.714 20 30 CFEDLP C=C(CC)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000346961988 382588551 /nfs/dbraw/zinc/58/85/51/382588551.db2.gz AIXCJUXAZWYTFB-RDJZCZTQSA-N 2 2 273.424 2.848 20 30 CFEDLP C=C(CC)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000346961988 382588558 /nfs/dbraw/zinc/58/85/58/382588558.db2.gz AIXCJUXAZWYTFB-RDJZCZTQSA-N 2 2 273.424 2.848 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C[N@@H+]1C1CC1 ZINC000441343499 382908270 /nfs/dbraw/zinc/90/82/70/382908270.db2.gz BMNSEZBQILWSKI-URGYJCLVSA-N 2 2 261.413 2.531 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)C[N@H+]1C1CC1 ZINC000441343499 382908274 /nfs/dbraw/zinc/90/82/74/382908274.db2.gz BMNSEZBQILWSKI-URGYJCLVSA-N 2 2 261.413 2.531 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000442791901 382958037 /nfs/dbraw/zinc/95/80/37/382958037.db2.gz KXOLLLKGDBFKFL-FGTMMUONSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000442791901 382958040 /nfs/dbraw/zinc/95/80/40/382958040.db2.gz KXOLLLKGDBFKFL-FGTMMUONSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000554889467 383147292 /nfs/dbraw/zinc/14/72/92/383147292.db2.gz OJQCTHMMIRFRPH-WMLDXEAASA-N 2 2 280.375 2.713 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000563099196 383165829 /nfs/dbraw/zinc/16/58/29/383165829.db2.gz HRQWIEDJXLZATK-UHFFFAOYSA-N 2 2 285.435 2.700 20 30 CFEDLP C[N@H+](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000248816621 383293154 /nfs/dbraw/zinc/29/31/54/383293154.db2.gz KZNQWEXOFDLZRS-SJORKVTESA-N 2 2 271.408 2.790 20 30 CFEDLP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000248816621 383293155 /nfs/dbraw/zinc/29/31/55/383293155.db2.gz KZNQWEXOFDLZRS-SJORKVTESA-N 2 2 271.408 2.790 20 30 CFEDLP C=C(CC)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449733118 383363514 /nfs/dbraw/zinc/36/35/14/383363514.db2.gz GJLPAAHWZFNKEO-UHFFFAOYSA-N 2 2 279.453 2.965 20 30 CFEDLP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1C#N ZINC000488239208 383506844 /nfs/dbraw/zinc/50/68/44/383506844.db2.gz YMPXGPYUYGJJEH-UHFFFAOYSA-N 2 2 271.408 2.829 20 30 CFEDLP C=CCN(C)CC[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000429720114 383563430 /nfs/dbraw/zinc/56/34/30/383563430.db2.gz DWNOGIUIVPLUHK-UHFFFAOYSA-N 2 2 298.434 2.812 20 30 CFEDLP C=CCN(C)CC[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000429720114 383563435 /nfs/dbraw/zinc/56/34/35/383563435.db2.gz DWNOGIUIVPLUHK-UHFFFAOYSA-N 2 2 298.434 2.812 20 30 CFEDLP C=CC[C@@H](CC)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000280981357 195056947 /nfs/dbraw/zinc/05/69/47/195056947.db2.gz KBDAALUYFKFEJA-GFCCVEGCSA-N 2 2 294.362 2.977 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000269977594 384927448 /nfs/dbraw/zinc/92/74/48/384927448.db2.gz MLNTUNZRRVLRHW-UHFFFAOYSA-N 2 2 269.323 2.733 20 30 CFEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271016357 385303436 /nfs/dbraw/zinc/30/34/36/385303436.db2.gz IKUPNCWEHWBWGM-HNNXBMFYSA-N 2 2 296.374 2.670 20 30 CFEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000271016357 385303439 /nfs/dbraw/zinc/30/34/39/385303439.db2.gz IKUPNCWEHWBWGM-HNNXBMFYSA-N 2 2 296.374 2.670 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000273094245 385671646 /nfs/dbraw/zinc/67/16/46/385671646.db2.gz UDRAYLKZUFXCQA-ZBFHGGJFSA-N 2 2 257.381 2.543 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000273094245 385671653 /nfs/dbraw/zinc/67/16/53/385671653.db2.gz UDRAYLKZUFXCQA-ZBFHGGJFSA-N 2 2 257.381 2.543 20 30 CFEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000681083745 542408010 /nfs/dbraw/zinc/40/80/10/542408010.db2.gz YGMADGOQENNFJM-AEFFLSMTSA-N 2 2 288.435 2.689 20 30 CFEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000681083745 542408013 /nfs/dbraw/zinc/40/80/13/542408013.db2.gz YGMADGOQENNFJM-AEFFLSMTSA-N 2 2 288.435 2.689 20 30 CFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000192054748 130360143 /nfs/dbraw/zinc/36/01/43/130360143.db2.gz WFCZHGGEDGRDLH-SFHVURJKSA-N 2 2 270.420 2.702 20 30 CFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000192054748 130360148 /nfs/dbraw/zinc/36/01/48/130360148.db2.gz WFCZHGGEDGRDLH-SFHVURJKSA-N 2 2 270.420 2.702 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192054748 130360156 /nfs/dbraw/zinc/36/01/56/130360156.db2.gz WFCZHGGEDGRDLH-SFHVURJKSA-N 2 2 270.420 2.702 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192054748 130360161 /nfs/dbraw/zinc/36/01/61/130360161.db2.gz WFCZHGGEDGRDLH-SFHVURJKSA-N 2 2 270.420 2.702 20 30 CFEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000269403264 132165478 /nfs/dbraw/zinc/16/54/78/132165478.db2.gz HACDNBRMKQCXAA-CQSZACIVSA-N 2 2 289.398 2.909 20 30 CFEDLP C(#Cc1ccccc1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373813448 393473219 /nfs/dbraw/zinc/47/32/19/393473219.db2.gz URQRXQUKSUKNEL-UHFFFAOYSA-N 2 2 265.360 2.641 20 30 CFEDLP C(#Cc1ccccc1)C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000373813448 393473224 /nfs/dbraw/zinc/47/32/24/393473224.db2.gz URQRXQUKSUKNEL-UHFFFAOYSA-N 2 2 265.360 2.641 20 30 CFEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCCC1)c1ccsc1 ZINC000261996110 393952462 /nfs/dbraw/zinc/95/24/62/393952462.db2.gz NYKLKJQQSQZDRV-AWEZNQCLSA-N 2 2 294.468 2.588 20 30 CFEDLP C=CCOc1ccccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349199040 393964891 /nfs/dbraw/zinc/96/48/91/393964891.db2.gz XNXJPTOMXGGJTG-MRXNPFEDSA-N 2 2 297.402 2.974 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349199040 393964895 /nfs/dbraw/zinc/96/48/95/393964895.db2.gz XNXJPTOMXGGJTG-MRXNPFEDSA-N 2 2 297.402 2.974 20 30 CFEDLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423265815 394275049 /nfs/dbraw/zinc/27/50/49/394275049.db2.gz RKBXAURJAQHUFY-FZMZJTMJSA-N 2 2 263.360 2.721 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449518684 394280377 /nfs/dbraw/zinc/28/03/77/394280377.db2.gz KHYNRIJWDCKZLY-DDBAPUKQSA-N 2 2 286.419 2.755 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449518684 394280378 /nfs/dbraw/zinc/28/03/78/394280378.db2.gz KHYNRIJWDCKZLY-DDBAPUKQSA-N 2 2 286.419 2.755 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)c(F)c1 ZINC000547979784 394900787 /nfs/dbraw/zinc/90/07/87/394900787.db2.gz HQXXCEACBIGGMN-RISCZKNCSA-N 2 2 284.338 2.559 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1[nH]cc[nH+]1)C(C)C ZINC000285524269 542970815 /nfs/dbraw/zinc/97/08/15/542970815.db2.gz FBYIIROQLGXAIL-LSDHHAIUSA-N 2 2 276.428 2.759 20 30 CFEDLP C=CCCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471977 413343379 /nfs/dbraw/zinc/34/33/79/413343379.db2.gz AMTBPURNZRROQA-MRXNPFEDSA-N 2 2 266.429 2.529 20 30 CFEDLP C=CCCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471977 413343383 /nfs/dbraw/zinc/34/33/83/413343383.db2.gz AMTBPURNZRROQA-MRXNPFEDSA-N 2 2 266.429 2.529 20 30 CFEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660481016 413347950 /nfs/dbraw/zinc/34/79/50/413347950.db2.gz XNLJKHUOJYVQRR-SJORKVTESA-N 2 2 280.456 2.918 20 30 CFEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660481016 413347960 /nfs/dbraw/zinc/34/79/60/413347960.db2.gz XNLJKHUOJYVQRR-SJORKVTESA-N 2 2 280.456 2.918 20 30 CFEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660481013 413350045 /nfs/dbraw/zinc/35/00/45/413350045.db2.gz XNLJKHUOJYVQRR-IAGOWNOFSA-N 2 2 280.456 2.918 20 30 CFEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660481013 413350052 /nfs/dbraw/zinc/35/00/52/413350052.db2.gz XNLJKHUOJYVQRR-IAGOWNOFSA-N 2 2 280.456 2.918 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000035275059 172095522 /nfs/dbraw/zinc/09/55/22/172095522.db2.gz HJKBJRQUKKSNAP-CQSZACIVSA-N 2 2 271.364 2.626 20 30 CFEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@]2([NH+](C)C)CCSC2)C1 ZINC000651727828 413593602 /nfs/dbraw/zinc/59/36/02/413593602.db2.gz CETGFZWZLYZEFR-QLFBSQMISA-N 2 2 268.470 2.758 20 30 CFEDLP C=CCC[C@H](CC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658295386 414354858 /nfs/dbraw/zinc/35/48/58/414354858.db2.gz RZXBIHLWBYQKME-HOCLYGCPSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000035275056 260018485 /nfs/dbraw/zinc/01/84/85/260018485.db2.gz HJKBJRQUKKSNAP-AWEZNQCLSA-N 2 2 271.364 2.626 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037413 260206632 /nfs/dbraw/zinc/20/66/32/260206632.db2.gz VHLCKTQGUXUHKA-WWDZGPRUSA-N 2 2 283.419 2.684 20 30 CFEDLP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037413 260206634 /nfs/dbraw/zinc/20/66/34/260206634.db2.gz VHLCKTQGUXUHKA-WWDZGPRUSA-N 2 2 283.419 2.684 20 30 CFEDLP CC1(C#N)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000272624274 263007509 /nfs/dbraw/zinc/00/75/09/263007509.db2.gz VFNMNQOZYXBUMY-UHFFFAOYSA-N 2 2 280.375 2.998 20 30 CFEDLP Cc1cc[nH+]cc1N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000340103893 263070877 /nfs/dbraw/zinc/07/08/77/263070877.db2.gz GLKPDVKRSBLFOL-UHFFFAOYSA-N 2 2 286.423 2.842 20 30 CFEDLP N#CCCC[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000366678645 263118182 /nfs/dbraw/zinc/11/81/82/263118182.db2.gz MIROESLQPPYQOO-UHFFFAOYSA-N 2 2 275.371 2.683 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000125745979 264026365 /nfs/dbraw/zinc/02/63/65/264026365.db2.gz XUBOAIKJPUTSEA-QAPCUYQASA-N 2 2 288.410 2.839 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000125745979 264026367 /nfs/dbraw/zinc/02/63/67/264026367.db2.gz XUBOAIKJPUTSEA-QAPCUYQASA-N 2 2 288.410 2.839 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000125745979 264026369 /nfs/dbraw/zinc/02/63/69/264026369.db2.gz XUBOAIKJPUTSEA-QAPCUYQASA-N 2 2 288.410 2.839 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000125745979 264026371 /nfs/dbraw/zinc/02/63/71/264026371.db2.gz XUBOAIKJPUTSEA-QAPCUYQASA-N 2 2 288.410 2.839 20 30 CFEDLP N#CCCC[NH2+][C@@H]1C[C@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000368582512 267188898 /nfs/dbraw/zinc/18/88/98/267188898.db2.gz GHHKRJVUMZJJSS-QZTJIDSGSA-N 2 2 283.419 2.933 20 30 CFEDLP N#CCCC[NH2+][C@@H]1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000368582512 267188900 /nfs/dbraw/zinc/18/89/00/267188900.db2.gz GHHKRJVUMZJJSS-QZTJIDSGSA-N 2 2 283.419 2.933 20 30 CFEDLP Cc1cc(NC[C@H](C)[N@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399558217 267299392 /nfs/dbraw/zinc/29/93/92/267299392.db2.gz FUJAGDZUKQBEAB-HNNXBMFYSA-N 2 2 294.402 2.616 20 30 CFEDLP Cc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399558217 267299396 /nfs/dbraw/zinc/29/93/96/267299396.db2.gz FUJAGDZUKQBEAB-HNNXBMFYSA-N 2 2 294.402 2.616 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000294877114 275380390 /nfs/dbraw/zinc/38/03/90/275380390.db2.gz DDFZKMYTQDCIHN-MRXNPFEDSA-N 2 2 288.439 2.576 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000294877114 275380391 /nfs/dbraw/zinc/38/03/91/275380391.db2.gz DDFZKMYTQDCIHN-MRXNPFEDSA-N 2 2 288.439 2.576 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC000157167125 277083471 /nfs/dbraw/zinc/08/34/71/277083471.db2.gz VOXALUCRIQRMPZ-WMZOPIPTSA-N 2 2 286.394 2.593 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC000157167125 277083472 /nfs/dbraw/zinc/08/34/72/277083472.db2.gz VOXALUCRIQRMPZ-WMZOPIPTSA-N 2 2 286.394 2.593 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC000157167125 277083473 /nfs/dbraw/zinc/08/34/73/277083473.db2.gz VOXALUCRIQRMPZ-WMZOPIPTSA-N 2 2 286.394 2.593 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC000157167125 277083474 /nfs/dbraw/zinc/08/34/74/277083474.db2.gz VOXALUCRIQRMPZ-WMZOPIPTSA-N 2 2 286.394 2.593 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000178179060 278278268 /nfs/dbraw/zinc/27/82/68/278278268.db2.gz RUVJFZSQNCKRGN-HEHGZKQESA-N 2 2 269.392 2.834 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000178179060 278278270 /nfs/dbraw/zinc/27/82/70/278278270.db2.gz RUVJFZSQNCKRGN-HEHGZKQESA-N 2 2 269.392 2.834 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000185813105 327845969 /nfs/dbraw/zinc/84/59/69/327845969.db2.gz MUFDKYKRVNOWAN-CABCVRRESA-N 2 2 272.396 2.946 20 30 CFEDLP C=CCCCCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000563367543 328059851 /nfs/dbraw/zinc/05/98/51/328059851.db2.gz ZHVDFPJPVVVMHB-MRXNPFEDSA-N 2 2 280.456 2.918 20 30 CFEDLP C=CCCCCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000563367543 328059852 /nfs/dbraw/zinc/05/98/52/328059852.db2.gz ZHVDFPJPVVVMHB-MRXNPFEDSA-N 2 2 280.456 2.918 20 30 CFEDLP C[NH+](C)C1CC([NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000564470512 327196583 /nfs/dbraw/zinc/19/65/83/327196583.db2.gz KNGZWBPAIXRYLP-UHFFFAOYSA-N 2 2 287.407 2.551 20 30 CFEDLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000562667213 327503739 /nfs/dbraw/zinc/50/37/39/327503739.db2.gz MPGALTQKACFRFD-INIZCTEOSA-N 2 2 297.446 2.975 20 30 CFEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000378162630 329042036 /nfs/dbraw/zinc/04/20/36/329042036.db2.gz XJIXSTYIBFKASH-CVEARBPZSA-N 2 2 291.439 2.798 20 30 CFEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000378162630 329042038 /nfs/dbraw/zinc/04/20/38/329042038.db2.gz XJIXSTYIBFKASH-CVEARBPZSA-N 2 2 291.439 2.798 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422857010 330157688 /nfs/dbraw/zinc/15/76/88/330157688.db2.gz GJMCUBTUVGYETO-FGTMMUONSA-N 3 2 291.483 2.537 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422861257 330158100 /nfs/dbraw/zinc/15/81/00/330158100.db2.gz NUAMIHKBQXCYLA-DOTOQJQBSA-N 3 2 279.472 2.537 20 30 CFEDLP C=C(C)[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423050431 330167219 /nfs/dbraw/zinc/16/72/19/330167219.db2.gz LGYFDNHKLPPIGW-BMIGLBTASA-N 2 2 266.335 2.780 20 30 CFEDLP C=CCC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccco1 ZINC000423418974 330197833 /nfs/dbraw/zinc/19/78/33/330197833.db2.gz VKZAGFPYICQQSO-GDBMZVCRSA-N 2 2 278.396 2.645 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527948900 330294367 /nfs/dbraw/zinc/29/43/67/330294367.db2.gz MQOICRVJHHXMJO-IIAWOOMASA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527948900 330294368 /nfs/dbraw/zinc/29/43/68/330294368.db2.gz MQOICRVJHHXMJO-IIAWOOMASA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000442839774 330786292 /nfs/dbraw/zinc/78/62/92/330786292.db2.gz XXPNNNIAQSCWET-XOSAIJSUSA-N 2 2 271.408 2.960 20 30 CFEDLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000447507895 330867144 /nfs/dbraw/zinc/86/71/44/330867144.db2.gz JEJMROHXOIWVIZ-SQNIBIBYSA-N 2 2 285.435 2.831 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000451612599 331037029 /nfs/dbraw/zinc/03/70/29/331037029.db2.gz LQMKCIFMZMVPMZ-SJORKVTESA-N 2 2 283.375 2.614 20 30 CFEDLP CC(C)(CC#N)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000459727526 331296096 /nfs/dbraw/zinc/29/60/96/331296096.db2.gz GVIXWWADQLTJIC-UHFFFAOYSA-N 2 2 286.423 2.575 20 30 CFEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000491619074 332245278 /nfs/dbraw/zinc/24/52/78/332245278.db2.gz FFZIZWBDTLQQFT-QGZVFWFLSA-N 2 2 281.403 2.524 20 30 CFEDLP C#C[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(F)cc1 ZINC000491694277 332290400 /nfs/dbraw/zinc/29/04/00/332290400.db2.gz FFEAXIXMYWRBCD-MRXNPFEDSA-N 2 2 260.356 2.574 20 30 CFEDLP C#C[C@@H](CC)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000229876097 333310435 /nfs/dbraw/zinc/31/04/35/333310435.db2.gz RTGMMZMVWGJLQP-AWEZNQCLSA-N 2 2 253.349 2.682 20 30 CFEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530177966 333527084 /nfs/dbraw/zinc/52/70/84/333527084.db2.gz LZXNFGJDIPBBBD-MRXNPFEDSA-N 2 2 272.392 2.626 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000340844722 521720265 /nfs/dbraw/zinc/72/02/65/521720265.db2.gz YWZZMMFXFTUQTA-BBRMVZONSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000340844722 521720266 /nfs/dbraw/zinc/72/02/66/521720266.db2.gz YWZZMMFXFTUQTA-BBRMVZONSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000340844722 521720267 /nfs/dbraw/zinc/72/02/67/521720267.db2.gz YWZZMMFXFTUQTA-BBRMVZONSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000340844722 521720269 /nfs/dbraw/zinc/72/02/69/521720269.db2.gz YWZZMMFXFTUQTA-BBRMVZONSA-N 2 2 289.398 2.859 20 30 CFEDLP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000336085724 523791479 /nfs/dbraw/zinc/79/14/79/523791479.db2.gz MTSHORYSMPYBRM-UHFFFAOYSA-N 2 2 287.382 2.758 20 30 CFEDLP C[N@H+]1CCCC12CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC000336085724 523791483 /nfs/dbraw/zinc/79/14/83/523791483.db2.gz MTSHORYSMPYBRM-UHFFFAOYSA-N 2 2 287.382 2.758 20 30 CFEDLP N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336111910 526522871 /nfs/dbraw/zinc/52/28/71/526522871.db2.gz AWWLYHOXWOROIH-ZDUSSCGKSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336111910 526522872 /nfs/dbraw/zinc/52/28/72/526522872.db2.gz AWWLYHOXWOROIH-ZDUSSCGKSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156335184 526637806 /nfs/dbraw/zinc/63/78/06/526637806.db2.gz AYFYBSJVRMPPMB-MRXNPFEDSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000156335184 526637809 /nfs/dbraw/zinc/63/78/09/526637809.db2.gz AYFYBSJVRMPPMB-MRXNPFEDSA-N 2 2 297.333 2.746 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347183357 526864349 /nfs/dbraw/zinc/86/43/49/526864349.db2.gz WPVMDNNMUYRLMG-MRXNPFEDSA-N 2 2 272.392 2.578 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347183357 526864354 /nfs/dbraw/zinc/86/43/54/526864354.db2.gz WPVMDNNMUYRLMG-MRXNPFEDSA-N 2 2 272.392 2.578 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000347020875 526898106 /nfs/dbraw/zinc/89/81/06/526898106.db2.gz NCRGCMKLLXAZIH-PBHICJAKSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000347020875 526898114 /nfs/dbraw/zinc/89/81/14/526898114.db2.gz NCRGCMKLLXAZIH-PBHICJAKSA-N 2 2 274.408 2.953 20 30 CFEDLP COc1cccc(O)c1/C=[NH+]/C1CCC(C[NH+](C)C)CC1 ZINC000749582893 574300869 /nfs/dbraw/zinc/30/08/69/574300869.db2.gz QZSIPAIZVJDYBE-WOJGMQOQSA-N 2 2 290.407 2.940 20 30 CFEDLP CC(C)C[N@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750048181 574322487 /nfs/dbraw/zinc/32/24/87/574322487.db2.gz UMOFIQMPAASQSA-UHFFFAOYSA-N 2 2 283.379 2.639 20 30 CFEDLP CC(C)C[N@@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750048181 574322488 /nfs/dbraw/zinc/32/24/88/574322488.db2.gz UMOFIQMPAASQSA-UHFFFAOYSA-N 2 2 283.379 2.639 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@@H]1CCC=CO1)C(C)C ZINC000194203442 618292327 /nfs/dbraw/zinc/29/23/27/618292327.db2.gz KHMSKICTUCOVDC-DLBZAZTESA-N 2 2 278.440 2.967 20 30 CFEDLP N#Cc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)o1 ZINC000895110678 618306241 /nfs/dbraw/zinc/30/62/41/618306241.db2.gz TZBBVUSNSRNWND-HDJSIYSDSA-N 2 2 296.374 2.823 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931314039 618940386 /nfs/dbraw/zinc/94/03/86/618940386.db2.gz ITDZQWFZKONITO-ZTFGCOKTSA-N 2 2 283.419 2.893 20 30 CFEDLP C#CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000897170804 619943875 /nfs/dbraw/zinc/94/38/75/619943875.db2.gz IMKQAAWAMHHOPP-UHFFFAOYSA-N 2 2 259.378 2.777 20 30 CFEDLP C#CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000897170804 619943876 /nfs/dbraw/zinc/94/38/76/619943876.db2.gz IMKQAAWAMHHOPP-UHFFFAOYSA-N 2 2 259.378 2.777 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C#N)c1O ZINC000925142562 619959460 /nfs/dbraw/zinc/95/94/60/619959460.db2.gz OLLHKUFIBYFDFD-INWMFGNUSA-N 2 2 287.407 2.787 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C#N)c1O ZINC000925142562 619959462 /nfs/dbraw/zinc/95/94/62/619959462.db2.gz OLLHKUFIBYFDFD-INWMFGNUSA-N 2 2 287.407 2.787 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000924644902 620431414 /nfs/dbraw/zinc/43/14/14/620431414.db2.gz BRBWSNUDQFPKQN-CYBMUJFWSA-N 2 2 274.412 2.680 20 30 CFEDLP CCO[C@H](C[NH2+][C@@H](CC)c1cccc(C#N)c1)C[NH+](C)C ZINC000926964403 620433918 /nfs/dbraw/zinc/43/39/18/620433918.db2.gz ROAIZOXBJAUFIO-SJORKVTESA-N 2 2 289.423 2.566 20 30 CFEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902468207 621099813 /nfs/dbraw/zinc/09/98/13/621099813.db2.gz MZOFAUCKSCJREV-DZJNRPSUSA-N 2 2 281.403 2.808 20 30 CFEDLP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902808847 621176004 /nfs/dbraw/zinc/17/60/04/621176004.db2.gz GFQVMIDMBBSVMB-CZUORRHYSA-N 2 2 288.439 2.970 20 30 CFEDLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902830246 621183533 /nfs/dbraw/zinc/18/35/33/621183533.db2.gz MIHAICKLPXBUDW-RHSMWYFYSA-N 2 2 271.408 2.941 20 30 CFEDLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902830246 621183535 /nfs/dbraw/zinc/18/35/35/621183535.db2.gz MIHAICKLPXBUDW-RHSMWYFYSA-N 2 2 271.408 2.941 20 30 CFEDLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cc(C#N)ccn1 ZINC000902853092 621189030 /nfs/dbraw/zinc/18/90/30/621189030.db2.gz JNFOPTZINOOEIG-CYBMUJFWSA-N 2 2 286.423 2.867 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000903091967 621257613 /nfs/dbraw/zinc/25/76/13/621257613.db2.gz DXGWDFQRFCBNLR-CVEARBPZSA-N 2 2 296.842 2.859 20 30 CFEDLP CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1[NH3+] ZINC000903450045 621386254 /nfs/dbraw/zinc/38/62/54/621386254.db2.gz LDVFQPHXYMQBKF-HIFRSBDPSA-N 2 2 277.799 2.771 20 30 CFEDLP CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1[NH3+] ZINC000903450045 621386258 /nfs/dbraw/zinc/38/62/58/621386258.db2.gz LDVFQPHXYMQBKF-HIFRSBDPSA-N 2 2 277.799 2.771 20 30 CFEDLP N#CC1CCC(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903541032 621395855 /nfs/dbraw/zinc/39/58/55/621395855.db2.gz HZWVSUSKBPKOKB-TYUFSLCMSA-N 2 2 289.345 2.528 20 30 CFEDLP N#CC1CCC(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)CC1 ZINC000903541032 621395858 /nfs/dbraw/zinc/39/58/58/621395858.db2.gz HZWVSUSKBPKOKB-TYUFSLCMSA-N 2 2 289.345 2.528 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805491 621445834 /nfs/dbraw/zinc/44/58/34/621445834.db2.gz PARXJVASIUMZRG-FUHWJXTLSA-N 2 2 283.419 2.878 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903805491 621445835 /nfs/dbraw/zinc/44/58/35/621445835.db2.gz PARXJVASIUMZRG-FUHWJXTLSA-N 2 2 283.419 2.878 20 30 CFEDLP C=C(C)CNC(NCCCCn1cc[nH+]c1)=[NH+]C(C)(C)C ZINC000912498745 622730223 /nfs/dbraw/zinc/73/02/23/622730223.db2.gz GFPJDPSFCLBARD-UHFFFAOYSA-N 2 2 291.443 2.573 20 30 CFEDLP CC(C)C[NH+]=C(NCCCCn1cc[nH+]c1)NC(C)(C)C ZINC000912509661 622734707 /nfs/dbraw/zinc/73/47/07/622734707.db2.gz NVHIRIYHEOBKAD-UHFFFAOYSA-N 2 2 293.459 2.653 20 30 CFEDLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000922262645 626254897 /nfs/dbraw/zinc/25/48/97/626254897.db2.gz WSMHCZRPJTWOBT-INIZCTEOSA-N 2 2 271.408 2.749 20 30 CFEDLP CCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000922262645 626254902 /nfs/dbraw/zinc/25/49/02/626254902.db2.gz WSMHCZRPJTWOBT-INIZCTEOSA-N 2 2 271.408 2.749 20 30 CFEDLP N#CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925369930 626433300 /nfs/dbraw/zinc/43/33/00/626433300.db2.gz WZBLWXQUAFTIGU-QZTJIDSGSA-N 2 2 299.418 2.695 20 30 CFEDLP N#CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925369930 626433301 /nfs/dbraw/zinc/43/33/01/626433301.db2.gz WZBLWXQUAFTIGU-QZTJIDSGSA-N 2 2 299.418 2.695 20 30 CFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC2CCCC2)cc1 ZINC000783560221 628720747 /nfs/dbraw/zinc/72/07/47/628720747.db2.gz ULHYKDGYDGKGAK-UHFFFAOYSA-N 2 2 289.423 2.965 20 30 CFEDLP C=CCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044987 631319288 /nfs/dbraw/zinc/31/92/88/631319288.db2.gz HGERGFDRQCTSFX-CJNGLKHVSA-N 2 2 261.413 2.697 20 30 CFEDLP C#C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843408530 631946880 /nfs/dbraw/zinc/94/68/80/631946880.db2.gz GXLHNYKENUKMAS-DOTOQJQBSA-N 2 2 268.404 2.795 20 30 CFEDLP C#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843408530 631946883 /nfs/dbraw/zinc/94/68/83/631946883.db2.gz GXLHNYKENUKMAS-DOTOQJQBSA-N 2 2 268.404 2.795 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000815652745 632306865 /nfs/dbraw/zinc/30/68/65/632306865.db2.gz QBQVMJOCQPPDMB-INIZCTEOSA-N 2 2 280.362 2.961 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000815652745 632306866 /nfs/dbraw/zinc/30/68/66/632306866.db2.gz QBQVMJOCQPPDMB-INIZCTEOSA-N 2 2 280.362 2.961 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000815652446 632306883 /nfs/dbraw/zinc/30/68/83/632306883.db2.gz CQHYQKARJORBCU-ZDUSSCGKSA-N 2 2 294.826 2.954 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000815652446 632306887 /nfs/dbraw/zinc/30/68/87/632306887.db2.gz CQHYQKARJORBCU-ZDUSSCGKSA-N 2 2 294.826 2.954 20 30 CFEDLP CCCCCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846878029 632828921 /nfs/dbraw/zinc/82/89/21/632828921.db2.gz QFWVWMGVHXOSAN-UHFFFAOYSA-N 2 2 250.390 2.502 20 30 CFEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCC2CCC2)cc1 ZINC000853674012 635069739 /nfs/dbraw/zinc/06/97/39/635069739.db2.gz OSVZPSUNVNODPX-UHFFFAOYSA-N 2 2 275.396 2.575 20 30 CFEDLP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000863540414 637688380 /nfs/dbraw/zinc/68/83/80/637688380.db2.gz ABWCCYUSIAYFNB-YOEHRIQHSA-N 2 2 284.403 2.634 20 30 CFEDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OCC#N)cc1 ZINC000863543298 637689277 /nfs/dbraw/zinc/68/92/77/637689277.db2.gz XWOOXCDXVVIZEC-CJNGLKHVSA-N 2 2 285.391 2.524 20 30 CFEDLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(C#N)c1O ZINC000866219496 638772974 /nfs/dbraw/zinc/77/29/74/638772974.db2.gz PRUGHCCZGMJEJN-AWEZNQCLSA-N 2 2 287.407 2.790 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCc2cccnc2)CC1 ZINC000866261341 638783188 /nfs/dbraw/zinc/78/31/88/638783188.db2.gz SMAZZJZUBOYJBG-HNNXBMFYSA-N 2 2 273.424 2.643 20 30 CFEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C#N)CC1 ZINC000876956481 643080258 /nfs/dbraw/zinc/08/02/58/643080258.db2.gz LJCWBGHTBVBMFE-YMAMQOFZSA-N 2 2 274.412 2.970 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877074093 643136435 /nfs/dbraw/zinc/13/64/35/643136435.db2.gz ZDIRDCULRYQMAD-ZIAGYGMSSA-N 2 2 292.814 2.569 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043465 650914348 /nfs/dbraw/zinc/91/43/48/650914348.db2.gz GHNRXRZOHDLVAD-AEFFLSMTSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043465 650914351 /nfs/dbraw/zinc/91/43/51/650914351.db2.gz GHNRXRZOHDLVAD-AEFFLSMTSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043465 650914355 /nfs/dbraw/zinc/91/43/55/650914355.db2.gz GHNRXRZOHDLVAD-AEFFLSMTSA-N 2 2 298.430 2.615 20 30 CFEDLP C#CCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043465 650914358 /nfs/dbraw/zinc/91/43/58/650914358.db2.gz GHNRXRZOHDLVAD-AEFFLSMTSA-N 2 2 298.430 2.615 20 30 CFEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207559 644581486 /nfs/dbraw/zinc/58/14/86/644581486.db2.gz HUTTYCHOKIZFCN-INIZCTEOSA-N 2 2 293.455 2.549 20 30 CFEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207559 644581488 /nfs/dbraw/zinc/58/14/88/644581488.db2.gz HUTTYCHOKIZFCN-INIZCTEOSA-N 2 2 293.455 2.549 20 30 CFEDLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000880469247 644725614 /nfs/dbraw/zinc/72/56/14/644725614.db2.gz HTVXDIJTHPYCKW-UHFFFAOYSA-N 2 2 269.392 2.618 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)[C@H]1CCCO1 ZINC000883185919 645648270 /nfs/dbraw/zinc/64/82/70/645648270.db2.gz GVCYKOJFWABDAW-VNQPRFMTSA-N 2 2 266.429 2.573 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)[C@H]1CCCO1 ZINC000883185919 645648271 /nfs/dbraw/zinc/64/82/71/645648271.db2.gz GVCYKOJFWABDAW-VNQPRFMTSA-N 2 2 266.429 2.573 20 30 CFEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CC=C)CC1)[C@@H]1CCCO1 ZINC000883187707 645649560 /nfs/dbraw/zinc/64/95/60/645649560.db2.gz UKFSECBNIKAYRZ-IRXDYDNUSA-N 2 2 278.440 2.740 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CCCO1 ZINC000883196986 645657544 /nfs/dbraw/zinc/65/75/44/645657544.db2.gz ZUPRMNXQNWBQEI-HZPDHXFCSA-N 2 2 289.423 2.987 20 30 CFEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCC(C)C)c1ccsc1 ZINC000104166746 647552849 /nfs/dbraw/zinc/55/28/49/647552849.db2.gz PFNXOGFDRIQWET-CQSZACIVSA-N 2 2 296.484 2.691 20 30 CFEDLP CSc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1C#N ZINC000925774651 648318015 /nfs/dbraw/zinc/31/80/15/648318015.db2.gz XCWPINAAQNNAFX-FZMZJTMJSA-N 2 2 275.421 2.510 20 30 CFEDLP N#CC1CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926357452 648470679 /nfs/dbraw/zinc/47/06/79/648470679.db2.gz WVJXQWMULGJTQO-SJJHQCBESA-N 2 2 275.440 2.923 20 30 CFEDLP N#CC1CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926357452 648470683 /nfs/dbraw/zinc/47/06/83/648470683.db2.gz WVJXQWMULGJTQO-SJJHQCBESA-N 2 2 275.440 2.923 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926488936 648506905 /nfs/dbraw/zinc/50/69/05/648506905.db2.gz CORHYUXLADVZSI-HNNXBMFYSA-N 2 2 297.402 2.947 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926488936 648506908 /nfs/dbraw/zinc/50/69/08/648506908.db2.gz CORHYUXLADVZSI-HNNXBMFYSA-N 2 2 297.402 2.947 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926673934 648570615 /nfs/dbraw/zinc/57/06/15/648570615.db2.gz MGXOOFZBAOESDE-QLFBSQMISA-N 2 2 263.429 2.921 20 30 CFEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926673934 648570620 /nfs/dbraw/zinc/57/06/20/648570620.db2.gz MGXOOFZBAOESDE-QLFBSQMISA-N 2 2 263.429 2.921 20 30 CFEDLP C[NH+](C)CC1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001165041706 721944744 /nfs/dbraw/zinc/94/47/44/721944744.db2.gz IRXHQOCPPSFPFG-UHFFFAOYSA-N 2 2 294.402 2.884 20 30 CFEDLP CC(C)[N@H+](Cc1ccc(C#N)s1)C1CC[NH+](C)CC1 ZINC001232845456 777691575 /nfs/dbraw/zinc/69/15/75/777691575.db2.gz XTXYNOJDLIVGQS-UHFFFAOYSA-N 2 2 277.437 2.924 20 30 CFEDLP CC(C)[N@@H+](Cc1ccc(C#N)s1)C1CC[NH+](C)CC1 ZINC001232845456 777691581 /nfs/dbraw/zinc/69/15/81/777691581.db2.gz XTXYNOJDLIVGQS-UHFFFAOYSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+](Cc1ccccc1CC#N)C1CC[NH+](C)CC1 ZINC001235523957 778512039 /nfs/dbraw/zinc/51/20/39/778512039.db2.gz XBHFZFHZTYWXGP-UHFFFAOYSA-N 2 2 271.408 2.669 20 30 CFEDLP CC[N@@H+](Cc1ccccc1CC#N)C1CC[NH+](C)CC1 ZINC001235523957 778512041 /nfs/dbraw/zinc/51/20/41/778512041.db2.gz XBHFZFHZTYWXGP-UHFFFAOYSA-N 2 2 271.408 2.669 20 30 CFEDLP CCc1cc(C#N)ccc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236210913 778738234 /nfs/dbraw/zinc/73/82/34/778738234.db2.gz XWZCCZNMXIIHLH-QGZVFWFLSA-N 2 2 271.408 2.695 20 30 CFEDLP CCc1cc(C#N)ccc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236210913 778738239 /nfs/dbraw/zinc/73/82/39/778738239.db2.gz XWZCCZNMXIIHLH-QGZVFWFLSA-N 2 2 271.408 2.695 20 30 CFEDLP C=CCCCCCC[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236327808 778782312 /nfs/dbraw/zinc/78/23/12/778782312.db2.gz MFXMERGOXLCGEJ-MRXNPFEDSA-N 2 2 268.445 2.823 20 30 CFEDLP C=CCCCCCC[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236327808 778782320 /nfs/dbraw/zinc/78/23/20/778782320.db2.gz MFXMERGOXLCGEJ-MRXNPFEDSA-N 2 2 268.445 2.823 20 30 CFEDLP C=CCc1cccc(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1O ZINC001236530129 778863810 /nfs/dbraw/zinc/86/38/10/778863810.db2.gz PONXEIXWARYXGJ-MRXNPFEDSA-N 2 2 274.408 2.693 20 30 CFEDLP C=CCc1cccc(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1O ZINC001236530129 778863817 /nfs/dbraw/zinc/86/38/17/778863817.db2.gz PONXEIXWARYXGJ-MRXNPFEDSA-N 2 2 274.408 2.693 20 30 CFEDLP C[NH+]1CCN(c2ccc([NH2+]CCCCC#N)cc2)CC1 ZINC001168430513 779018979 /nfs/dbraw/zinc/01/89/79/779018979.db2.gz FUGKZVBOKRDKCZ-UHFFFAOYSA-N 2 2 272.396 2.544 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154534 779027853 /nfs/dbraw/zinc/02/78/53/779027853.db2.gz DCCVRVRCOQMNGR-SFHVURJKSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237154534 779027857 /nfs/dbraw/zinc/02/78/57/779027857.db2.gz DCCVRVRCOQMNGR-SFHVURJKSA-N 2 2 283.419 2.973 20 30 CFEDLP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001237753339 779175559 /nfs/dbraw/zinc/17/55/59/779175559.db2.gz RRNAMQVZTVJMDO-UHFFFAOYSA-N 2 2 265.788 2.595 20 30 CFEDLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001237753339 779175564 /nfs/dbraw/zinc/17/55/64/779175564.db2.gz RRNAMQVZTVJMDO-UHFFFAOYSA-N 2 2 265.788 2.595 20 30 CFEDLP C=C(C)CCc1ccccc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168737473 780579083 /nfs/dbraw/zinc/57/90/83/780579083.db2.gz YWDFRZCPSPWUKQ-UHFFFAOYSA-N 2 2 286.423 2.789 20 30 CFEDLP C#Cc1cccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241920371 781182345 /nfs/dbraw/zinc/18/23/45/781182345.db2.gz XXEJCQULQRVMPF-SFHVURJKSA-N 2 2 276.383 2.868 20 30 CFEDLP C#Cc1cccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001241920371 781182350 /nfs/dbraw/zinc/18/23/50/781182350.db2.gz XXEJCQULQRVMPF-SFHVURJKSA-N 2 2 276.383 2.868 20 30 CFEDLP CC1(C)CC(=O)C=C(c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)C1 ZINC001242315710 781393744 /nfs/dbraw/zinc/39/37/44/781393744.db2.gz VVDPWXCWVYEFPG-UHFFFAOYSA-N 2 2 295.386 2.794 20 30 CFEDLP N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242717190 781717521 /nfs/dbraw/zinc/71/75/21/781717521.db2.gz PRFCIVJIBBLWQM-QGZVFWFLSA-N 2 2 277.371 2.758 20 30 CFEDLP N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242717190 781717527 /nfs/dbraw/zinc/71/75/27/781717527.db2.gz PRFCIVJIBBLWQM-QGZVFWFLSA-N 2 2 277.371 2.758 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000594521728 349440769 /nfs/dbraw/zinc/44/07/69/349440769.db2.gz UAFJCPIWYZPPFV-HNNXBMFYSA-N 2 2 294.402 2.858 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000594521728 349440771 /nfs/dbraw/zinc/44/07/71/349440771.db2.gz UAFJCPIWYZPPFV-HNNXBMFYSA-N 2 2 294.402 2.858 20 30 CFEDLP N#CC1(c2ccc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc2)CC1 ZINC000594944980 349522677 /nfs/dbraw/zinc/52/26/77/349522677.db2.gz UMQDGLOEZHAIGF-OAHLLOKOSA-N 2 2 292.386 2.612 20 30 CFEDLP N#CC1(c2ccc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)cc2)CC1 ZINC000594944980 349522681 /nfs/dbraw/zinc/52/26/81/349522681.db2.gz UMQDGLOEZHAIGF-OAHLLOKOSA-N 2 2 292.386 2.612 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000594962876 349532700 /nfs/dbraw/zinc/53/27/00/349532700.db2.gz MOTLMBUMHDHHBE-CYBMUJFWSA-N 2 2 251.418 2.779 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000594962876 349532703 /nfs/dbraw/zinc/53/27/03/349532703.db2.gz MOTLMBUMHDHHBE-CYBMUJFWSA-N 2 2 251.418 2.779 20 30 CFEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000594981743 349538033 /nfs/dbraw/zinc/53/80/33/349538033.db2.gz UBKXLOBUBWQMLU-LSDHHAIUSA-N 2 2 261.413 2.677 20 30 CFEDLP N#CC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000594981743 349538036 /nfs/dbraw/zinc/53/80/36/349538036.db2.gz UBKXLOBUBWQMLU-LSDHHAIUSA-N 2 2 261.413 2.677 20 30 CFEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(C#N)cc1 ZINC000595344126 349606501 /nfs/dbraw/zinc/60/65/01/349606501.db2.gz LXUDWSLUSHXXID-MSOLQXFVSA-N 2 2 283.419 2.659 20 30 CFEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc(C#N)cc1 ZINC000595344126 349606502 /nfs/dbraw/zinc/60/65/02/349606502.db2.gz LXUDWSLUSHXXID-MSOLQXFVSA-N 2 2 283.419 2.659 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C#N)cc1 ZINC000595344126 349606505 /nfs/dbraw/zinc/60/65/05/349606505.db2.gz LXUDWSLUSHXXID-MSOLQXFVSA-N 2 2 283.419 2.659 20 30 CFEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(C#N)cc1 ZINC000595344126 349606508 /nfs/dbraw/zinc/60/65/08/349606508.db2.gz LXUDWSLUSHXXID-MSOLQXFVSA-N 2 2 283.419 2.659 20 30 CFEDLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890130 349763235 /nfs/dbraw/zinc/76/32/35/349763235.db2.gz YBRBTYNMEFUTNJ-JQWIXIFHSA-N 2 2 297.324 2.746 20 30 CFEDLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890130 349763240 /nfs/dbraw/zinc/76/32/40/349763240.db2.gz YBRBTYNMEFUTNJ-JQWIXIFHSA-N 2 2 297.324 2.746 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000595895544 349764485 /nfs/dbraw/zinc/76/44/85/349764485.db2.gz PAWAYIIDOBFJOW-AWEZNQCLSA-N 2 2 297.324 2.746 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](C[NH3+])C1CC1 ZINC000595895544 349764489 /nfs/dbraw/zinc/76/44/89/349764489.db2.gz PAWAYIIDOBFJOW-AWEZNQCLSA-N 2 2 297.324 2.746 20 30 CFEDLP CC[N@H+](CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108523 347120407 /nfs/dbraw/zinc/12/04/07/347120407.db2.gz BNHBROGQNVGJKG-UHFFFAOYSA-N 2 2 272.396 2.534 20 30 CFEDLP CC[N@@H+](CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108523 347120408 /nfs/dbraw/zinc/12/04/08/347120408.db2.gz BNHBROGQNVGJKG-UHFFFAOYSA-N 2 2 272.396 2.534 20 30 CFEDLP C=CCCC[N@@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440797 347304231 /nfs/dbraw/zinc/30/42/31/347304231.db2.gz OENOSIDTCJGVNO-UHFFFAOYSA-N 2 2 259.397 2.948 20 30 CFEDLP C=CCCC[N@H+](C)C1CCN(c2cccc[nH+]2)CC1 ZINC000079440797 347304233 /nfs/dbraw/zinc/30/42/33/347304233.db2.gz OENOSIDTCJGVNO-UHFFFAOYSA-N 2 2 259.397 2.948 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958581 347388622 /nfs/dbraw/zinc/38/86/22/347388622.db2.gz CXCQAGCZFRNGPA-CYBMUJFWSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958581 347388626 /nfs/dbraw/zinc/38/86/26/347388626.db2.gz CXCQAGCZFRNGPA-CYBMUJFWSA-N 2 2 284.338 2.800 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cn2)CC1 ZINC000092746998 347644279 /nfs/dbraw/zinc/64/42/79/347644279.db2.gz VLVPMEYJUVHRSR-ZDUSSCGKSA-N 2 2 277.387 2.912 20 30 CFEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073953 347609264 /nfs/dbraw/zinc/60/92/64/347609264.db2.gz CGPYLJDFGLZKEV-ZDUSSCGKSA-N 2 2 260.385 2.919 20 30 CFEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073953 347609266 /nfs/dbraw/zinc/60/92/66/347609266.db2.gz CGPYLJDFGLZKEV-ZDUSSCGKSA-N 2 2 260.385 2.919 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+](CC3CC3)C1)CC2 ZINC000589338845 348828431 /nfs/dbraw/zinc/82/84/31/348828431.db2.gz KNVTVHIHEMUKDD-WMZOPIPTSA-N 2 2 281.403 2.619 20 30 CFEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CC2 ZINC000589338845 348828434 /nfs/dbraw/zinc/82/84/34/348828434.db2.gz KNVTVHIHEMUKDD-WMZOPIPTSA-N 2 2 281.403 2.619 20 30 CFEDLP CCC1([NH+]2CCOCC2)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000599663157 350476353 /nfs/dbraw/zinc/47/63/53/350476353.db2.gz CQDCLPXJXYVPKX-UHFFFAOYSA-N 2 2 293.455 2.503 20 30 CFEDLP Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000600708620 350599486 /nfs/dbraw/zinc/59/94/86/350599486.db2.gz DMTCLFKKMKFDIO-ROUUACIJSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000600708620 350599488 /nfs/dbraw/zinc/59/94/88/350599488.db2.gz DMTCLFKKMKFDIO-ROUUACIJSA-N 2 2 283.419 2.973 20 30 CFEDLP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(F)c1C#N ZINC000602006297 350829134 /nfs/dbraw/zinc/82/91/34/350829134.db2.gz SMONBTHOXNXHFF-UHFFFAOYSA-N 2 2 263.360 2.517 20 30 CFEDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1C#N ZINC000602006297 350829136 /nfs/dbraw/zinc/82/91/36/350829136.db2.gz SMONBTHOXNXHFF-UHFFFAOYSA-N 2 2 263.360 2.517 20 30 CFEDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602005970 350828786 /nfs/dbraw/zinc/82/87/86/350828786.db2.gz IMOWXHOUDVVYIZ-ZDUSSCGKSA-N 2 2 275.371 2.517 20 30 CFEDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602005970 350828789 /nfs/dbraw/zinc/82/87/89/350828789.db2.gz IMOWXHOUDVVYIZ-ZDUSSCGKSA-N 2 2 275.371 2.517 20 30 CFEDLP C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000602482505 350901298 /nfs/dbraw/zinc/90/12/98/350901298.db2.gz HAOPKYFSGVNEDP-KFWWJZLASA-N 2 2 260.385 2.706 20 30 CFEDLP C[C@H](CCC#N)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000602482505 350901299 /nfs/dbraw/zinc/90/12/99/350901299.db2.gz HAOPKYFSGVNEDP-KFWWJZLASA-N 2 2 260.385 2.706 20 30 CFEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602544841 350919412 /nfs/dbraw/zinc/91/94/12/350919412.db2.gz DPBUVPXGWOJDLM-JKSUJKDBSA-N 2 2 293.455 2.549 20 30 CFEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602544841 350919414 /nfs/dbraw/zinc/91/94/14/350919414.db2.gz DPBUVPXGWOJDLM-JKSUJKDBSA-N 2 2 293.455 2.549 20 30 CFEDLP N#CC1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000602710481 350992858 /nfs/dbraw/zinc/99/28/58/350992858.db2.gz LOXJQKKSPDMBGD-SSHXOBKSSA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000602710481 350992861 /nfs/dbraw/zinc/99/28/61/350992861.db2.gz LOXJQKKSPDMBGD-SSHXOBKSSA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000602722200 351000631 /nfs/dbraw/zinc/00/06/31/351000631.db2.gz YRFZRHSLJJSIAY-ZBFHGGJFSA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000602722200 351000634 /nfs/dbraw/zinc/00/06/34/351000634.db2.gz YRFZRHSLJJSIAY-ZBFHGGJFSA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000603432908 351164094 /nfs/dbraw/zinc/16/40/94/351164094.db2.gz KCBCLIMMBFVRND-WWGRRREGSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000603432908 351164096 /nfs/dbraw/zinc/16/40/96/351164096.db2.gz KCBCLIMMBFVRND-WWGRRREGSA-N 2 2 257.381 2.506 20 30 CFEDLP N#Cc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000610719594 351597019 /nfs/dbraw/zinc/59/70/19/351597019.db2.gz DRDDBVULFHGMSJ-HNNXBMFYSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1F ZINC000610719594 351597024 /nfs/dbraw/zinc/59/70/24/351597024.db2.gz DRDDBVULFHGMSJ-HNNXBMFYSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1csc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000611268151 351660615 /nfs/dbraw/zinc/66/06/15/351660615.db2.gz WPNOXLUGUIQUMQ-CYBMUJFWSA-N 2 2 272.377 2.653 20 30 CFEDLP N#Cc1csc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000611268151 351660618 /nfs/dbraw/zinc/66/06/18/351660618.db2.gz WPNOXLUGUIQUMQ-CYBMUJFWSA-N 2 2 272.377 2.653 20 30 CFEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610953440 351624391 /nfs/dbraw/zinc/62/43/91/351624391.db2.gz KYJDXVYHSHJTLZ-INIZCTEOSA-N 2 2 296.374 2.600 20 30 CFEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000610953440 351624393 /nfs/dbraw/zinc/62/43/93/351624393.db2.gz KYJDXVYHSHJTLZ-INIZCTEOSA-N 2 2 296.374 2.600 20 30 CFEDLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390778 351679348 /nfs/dbraw/zinc/67/93/48/351679348.db2.gz DAARUHUZOKYQMT-RDJZCZTQSA-N 2 2 269.392 2.619 20 30 CFEDLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390778 351679351 /nfs/dbraw/zinc/67/93/51/351679351.db2.gz DAARUHUZOKYQMT-RDJZCZTQSA-N 2 2 269.392 2.619 20 30 CFEDLP C=C[C@H](C(=O)OC)[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000619720703 353058835 /nfs/dbraw/zinc/05/88/35/353058835.db2.gz YRBATTZGYKFRNH-MRXNPFEDSA-N 2 2 296.455 2.548 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnc(C)nc2C)CC1 ZINC000152980028 188057076 /nfs/dbraw/zinc/05/70/76/188057076.db2.gz CIWYXXOVNVZOSN-AWEZNQCLSA-N 2 2 288.439 2.785 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156486324 188264861 /nfs/dbraw/zinc/26/48/61/188264861.db2.gz IQFUBLBHNMWNNX-YOEHRIQHSA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156486324 188264862 /nfs/dbraw/zinc/26/48/62/188264862.db2.gz IQFUBLBHNMWNNX-YOEHRIQHSA-N 2 2 280.375 2.838 20 30 CFEDLP C=CCOc1ccc(C[N@H+](CC)CC[NH3+])cc1Cl ZINC000629655583 354879429 /nfs/dbraw/zinc/87/94/29/354879429.db2.gz VQRUFQLCZFGLNL-UHFFFAOYSA-N 2 2 268.788 2.685 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](CC)CC[NH3+])cc1Cl ZINC000629655583 354879433 /nfs/dbraw/zinc/87/94/33/354879433.db2.gz VQRUFQLCZFGLNL-UHFFFAOYSA-N 2 2 268.788 2.685 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000177910400 189078234 /nfs/dbraw/zinc/07/82/34/189078234.db2.gz KTVRCBOSQCGQOK-PBHICJAKSA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000177910400 189078235 /nfs/dbraw/zinc/07/82/35/189078235.db2.gz KTVRCBOSQCGQOK-PBHICJAKSA-N 2 2 280.375 2.838 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@@H]21 ZINC000180734281 189272621 /nfs/dbraw/zinc/27/26/21/189272621.db2.gz HBADUERTJFISDU-WFASDCNBSA-N 2 2 275.421 2.536 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@@H]21 ZINC000180734281 189272622 /nfs/dbraw/zinc/27/26/22/189272622.db2.gz HBADUERTJFISDU-WFASDCNBSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@@H]21 ZINC000180734281 189272623 /nfs/dbraw/zinc/27/26/23/189272623.db2.gz HBADUERTJFISDU-WFASDCNBSA-N 2 2 275.421 2.536 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]21 ZINC000180734281 189272624 /nfs/dbraw/zinc/27/26/24/189272624.db2.gz HBADUERTJFISDU-WFASDCNBSA-N 2 2 275.421 2.536 20 30 CFEDLP CCC#C[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739608 541062990 /nfs/dbraw/zinc/06/29/90/541062990.db2.gz VEMZNLNYKGBSDG-HNNXBMFYSA-N 2 2 262.397 2.835 20 30 CFEDLP CCC#C[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000671739608 541062992 /nfs/dbraw/zinc/06/29/92/541062992.db2.gz VEMZNLNYKGBSDG-HNNXBMFYSA-N 2 2 262.397 2.835 20 30 CFEDLP CCC#C[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000671739608 541062994 /nfs/dbraw/zinc/06/29/94/541062994.db2.gz VEMZNLNYKGBSDG-HNNXBMFYSA-N 2 2 262.397 2.835 20 30 CFEDLP CCC#C[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000671739608 541062997 /nfs/dbraw/zinc/06/29/97/541062997.db2.gz VEMZNLNYKGBSDG-HNNXBMFYSA-N 2 2 262.397 2.835 20 30 CFEDLP C[C@@H](CC[NH2+]Cc1ccc(C#N)o1)[NH+]1CCCCC1 ZINC000184334338 189383580 /nfs/dbraw/zinc/38/35/80/189383580.db2.gz ZWRVQMYZVLDSSQ-ZDUSSCGKSA-N 2 2 261.369 2.505 20 30 CFEDLP CC[NH+](CC(C)C[N@@H+](CC)C[C@@H](C)C#N)C[C@@H](C)C#N ZINC000074351716 374416142 /nfs/dbraw/zinc/41/61/42/374416142.db2.gz KRKBHHDFSQHUQB-GJZGRUSLSA-N 2 2 278.444 2.586 20 30 CFEDLP CC[NH+](CC(C)C[N@H+](CC)C[C@@H](C)C#N)C[C@@H](C)C#N ZINC000074351716 374416148 /nfs/dbraw/zinc/41/61/48/374416148.db2.gz KRKBHHDFSQHUQB-GJZGRUSLSA-N 2 2 278.444 2.586 20 30 CFEDLP CC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000264149692 383700388 /nfs/dbraw/zinc/70/03/88/383700388.db2.gz YZRXQVKVABGZDU-KBPBESRZSA-N 2 2 292.427 2.509 20 30 CFEDLP C#CCOc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648781 375135903 /nfs/dbraw/zinc/13/59/03/375135903.db2.gz BUBOFBUXIBNEPJ-UHFFFAOYSA-N 2 2 295.386 2.732 20 30 CFEDLP C#CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644609 375279879 /nfs/dbraw/zinc/27/98/79/375279879.db2.gz MHKBPZWBRNLSIU-NVXWUHKLSA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644609 375279886 /nfs/dbraw/zinc/27/98/86/375279886.db2.gz MHKBPZWBRNLSIU-NVXWUHKLSA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644609 375279889 /nfs/dbraw/zinc/27/98/89/375279889.db2.gz MHKBPZWBRNLSIU-NVXWUHKLSA-N 2 2 286.419 2.613 20 30 CFEDLP C#CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644609 375279896 /nfs/dbraw/zinc/27/98/96/375279896.db2.gz MHKBPZWBRNLSIU-NVXWUHKLSA-N 2 2 286.419 2.613 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC000130666275 377592525 /nfs/dbraw/zinc/59/25/25/377592525.db2.gz XFKJYLSLRGFONC-RYUDHWBXSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000130666275 377592535 /nfs/dbraw/zinc/59/25/35/377592535.db2.gz XFKJYLSLRGFONC-RYUDHWBXSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000130666275 377592544 /nfs/dbraw/zinc/59/25/44/377592544.db2.gz XFKJYLSLRGFONC-RYUDHWBXSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)CC[NH+]1C ZINC000130666275 377592554 /nfs/dbraw/zinc/59/25/54/377592554.db2.gz XFKJYLSLRGFONC-RYUDHWBXSA-N 2 2 263.410 2.534 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151113946 378295667 /nfs/dbraw/zinc/29/56/67/378295667.db2.gz PGPOBXHRAXUGIZ-RDJZCZTQSA-N 2 2 298.430 2.804 20 30 CFEDLP C#CCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151113946 378295672 /nfs/dbraw/zinc/29/56/72/378295672.db2.gz PGPOBXHRAXUGIZ-RDJZCZTQSA-N 2 2 298.430 2.804 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000158952378 378676849 /nfs/dbraw/zinc/67/68/49/378676849.db2.gz PFZJPZZLROYVRD-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000158952378 378676852 /nfs/dbraw/zinc/67/68/52/378676852.db2.gz PFZJPZZLROYVRD-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000158952378 378676856 /nfs/dbraw/zinc/67/68/56/378676856.db2.gz PFZJPZZLROYVRD-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3C#N)CC[C@@H]21 ZINC000158952378 378676861 /nfs/dbraw/zinc/67/68/61/378676861.db2.gz PFZJPZZLROYVRD-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C=CCC[C@@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278748860 194137624 /nfs/dbraw/zinc/13/76/24/194137624.db2.gz WYMCFFRNAHWMPY-OAHLLOKOSA-N 2 2 290.407 2.560 20 30 CFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)cs3)C2)C1 ZINC000334370180 379176131 /nfs/dbraw/zinc/17/61/31/379176131.db2.gz VOMPYDRATUZBMQ-OAHLLOKOSA-N 2 2 275.421 2.537 20 30 CFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(C#N)cs3)C2)C1 ZINC000334370180 379176139 /nfs/dbraw/zinc/17/61/39/379176139.db2.gz VOMPYDRATUZBMQ-OAHLLOKOSA-N 2 2 275.421 2.537 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(C#N)cs3)C2)C1 ZINC000334370180 379176146 /nfs/dbraw/zinc/17/61/46/379176146.db2.gz VOMPYDRATUZBMQ-OAHLLOKOSA-N 2 2 275.421 2.537 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(C#N)cs3)C2)C1 ZINC000334370180 379176153 /nfs/dbraw/zinc/17/61/53/379176153.db2.gz VOMPYDRATUZBMQ-OAHLLOKOSA-N 2 2 275.421 2.537 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3c(C)cccn23)CC1 ZINC000174363503 379872636 /nfs/dbraw/zinc/87/26/36/379872636.db2.gz SICWBDXDUUFMTR-UHFFFAOYSA-N 2 2 298.434 2.773 20 30 CFEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000174945214 379966159 /nfs/dbraw/zinc/96/61/59/379966159.db2.gz AMURTVBPGNJAFS-HNNXBMFYSA-N 2 2 271.408 2.722 20 30 CFEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C#N)C1 ZINC000174945214 379966171 /nfs/dbraw/zinc/96/61/71/379966171.db2.gz AMURTVBPGNJAFS-HNNXBMFYSA-N 2 2 271.408 2.722 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000174945214 379966180 /nfs/dbraw/zinc/96/61/80/379966180.db2.gz AMURTVBPGNJAFS-HNNXBMFYSA-N 2 2 271.408 2.722 20 30 CFEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000174945214 379966189 /nfs/dbraw/zinc/96/61/89/379966189.db2.gz AMURTVBPGNJAFS-HNNXBMFYSA-N 2 2 271.408 2.722 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000336121062 380269705 /nfs/dbraw/zinc/26/97/05/380269705.db2.gz UMWUSYARRSUENE-HOCLYGCPSA-N 2 2 261.413 2.629 20 30 CFEDLP C=CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000346992496 380855405 /nfs/dbraw/zinc/85/54/05/380855405.db2.gz UHQDTYUZRSLQFU-NVXWUHKLSA-N 2 2 273.424 2.848 20 30 CFEDLP C=CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000346992496 380855410 /nfs/dbraw/zinc/85/54/10/380855410.db2.gz UHQDTYUZRSLQFU-NVXWUHKLSA-N 2 2 273.424 2.848 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358561542 380928752 /nfs/dbraw/zinc/92/87/52/380928752.db2.gz GQLCYHFTUJIBKK-DYEKYZERSA-N 2 2 275.371 2.831 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358561542 380928762 /nfs/dbraw/zinc/92/87/62/380928762.db2.gz GQLCYHFTUJIBKK-DYEKYZERSA-N 2 2 275.371 2.831 20 30 CFEDLP C=CCC(C)(C)C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000353927161 380963423 /nfs/dbraw/zinc/96/34/23/380963423.db2.gz UMPFATDWACYHDN-UHFFFAOYSA-N 2 2 296.455 2.596 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358567051 380934828 /nfs/dbraw/zinc/93/48/28/380934828.db2.gz IYYDBBOAIWHIIM-CYBMUJFWSA-N 2 2 287.382 2.998 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000354032577 381034138 /nfs/dbraw/zinc/03/41/38/381034138.db2.gz CABTUHAMWAQRRJ-CYBMUJFWSA-N 2 2 285.372 2.668 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)s1 ZINC000354032577 381034142 /nfs/dbraw/zinc/03/41/42/381034142.db2.gz CABTUHAMWAQRRJ-CYBMUJFWSA-N 2 2 285.372 2.668 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354034587 381036338 /nfs/dbraw/zinc/03/63/38/381036338.db2.gz SNTIJYIKXWWVKZ-QGZVFWFLSA-N 2 2 279.343 2.607 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000354034587 381036343 /nfs/dbraw/zinc/03/63/43/381036343.db2.gz SNTIJYIKXWWVKZ-QGZVFWFLSA-N 2 2 279.343 2.607 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000348412085 381556974 /nfs/dbraw/zinc/55/69/74/381556974.db2.gz ZCXYQBPEEXWXFK-GJZGRUSLSA-N 2 2 263.429 2.780 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[N@@H+]1C1CC1 ZINC000342808976 381557429 /nfs/dbraw/zinc/55/74/29/381557429.db2.gz SPUYMRAILHDREX-CZUORRHYSA-N 2 2 281.403 2.762 20 30 CFEDLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)C[N@H+]1C1CC1 ZINC000342808976 381557435 /nfs/dbraw/zinc/55/74/35/381557435.db2.gz SPUYMRAILHDREX-CZUORRHYSA-N 2 2 281.403 2.762 20 30 CFEDLP CC#CCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000360969290 381797583 /nfs/dbraw/zinc/79/75/83/381797583.db2.gz QKNNOCUNUMWZII-NVXWUHKLSA-N 2 2 256.393 2.825 20 30 CFEDLP CC#CCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000360969290 381797587 /nfs/dbraw/zinc/79/75/87/381797587.db2.gz QKNNOCUNUMWZII-NVXWUHKLSA-N 2 2 256.393 2.825 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](C#N)CCC#N ZINC000361666178 381855693 /nfs/dbraw/zinc/85/56/93/381855693.db2.gz CPFAPRNCWZCDCP-JKSUJKDBSA-N 2 2 299.422 2.914 20 30 CFEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](C#N)CCC#N ZINC000361666178 381855702 /nfs/dbraw/zinc/85/57/02/381855702.db2.gz CPFAPRNCWZCDCP-JKSUJKDBSA-N 2 2 299.422 2.914 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000361890935 381870676 /nfs/dbraw/zinc/87/06/76/381870676.db2.gz VSFFASGDXACVDX-XYJFISCASA-N 2 2 292.467 2.822 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000373230974 381956152 /nfs/dbraw/zinc/95/61/52/381956152.db2.gz OJAWAWULZFVVRX-CQSZACIVSA-N 2 2 274.412 2.929 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000373230974 381956157 /nfs/dbraw/zinc/95/61/57/381956157.db2.gz OJAWAWULZFVVRX-CQSZACIVSA-N 2 2 274.412 2.929 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000377260672 382244970 /nfs/dbraw/zinc/24/49/70/382244970.db2.gz FGAJQTHJMNNZPK-MRXNPFEDSA-N 2 2 280.375 2.671 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000377260672 382244977 /nfs/dbraw/zinc/24/49/77/382244977.db2.gz FGAJQTHJMNNZPK-MRXNPFEDSA-N 2 2 280.375 2.671 20 30 CFEDLP C=C(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000352404613 382310144 /nfs/dbraw/zinc/31/01/44/382310144.db2.gz CKPJBBWJQKTAAI-DOTOQJQBSA-N 2 2 273.424 2.848 20 30 CFEDLP C=C(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000352404613 382310149 /nfs/dbraw/zinc/31/01/49/382310149.db2.gz CKPJBBWJQKTAAI-DOTOQJQBSA-N 2 2 273.424 2.848 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000320646659 382538770 /nfs/dbraw/zinc/53/87/70/382538770.db2.gz OCIMNWXFBQOGFJ-KBAYOESNSA-N 2 2 288.435 2.566 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000320646659 382538773 /nfs/dbraw/zinc/53/87/73/382538773.db2.gz OCIMNWXFBQOGFJ-KBAYOESNSA-N 2 2 288.435 2.566 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000366639025 382535576 /nfs/dbraw/zinc/53/55/76/382535576.db2.gz MXMLEIHXPOSPIU-DOTOQJQBSA-N 2 2 283.419 2.933 20 30 CFEDLP C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000366639025 382535581 /nfs/dbraw/zinc/53/55/81/382535581.db2.gz MXMLEIHXPOSPIU-DOTOQJQBSA-N 2 2 283.419 2.933 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C[C@H]1C ZINC000353747256 382623702 /nfs/dbraw/zinc/62/37/02/382623702.db2.gz FLFZYGKKVKLHCM-RHSMWYFYSA-N 2 2 271.408 2.863 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C#N)C[C@H]1C ZINC000353747256 382623704 /nfs/dbraw/zinc/62/37/04/382623704.db2.gz FLFZYGKKVKLHCM-RHSMWYFYSA-N 2 2 271.408 2.863 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C[C@H]1C ZINC000353747256 382623706 /nfs/dbraw/zinc/62/37/06/382623706.db2.gz FLFZYGKKVKLHCM-RHSMWYFYSA-N 2 2 271.408 2.863 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C[C@H]1C ZINC000353747256 382623708 /nfs/dbraw/zinc/62/37/08/382623708.db2.gz FLFZYGKKVKLHCM-RHSMWYFYSA-N 2 2 271.408 2.863 20 30 CFEDLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000442796438 382957858 /nfs/dbraw/zinc/95/78/58/382957858.db2.gz SVWLFAQPADRIHB-OIISXLGYSA-N 2 2 271.408 2.880 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000442839771 382959894 /nfs/dbraw/zinc/95/98/94/382959894.db2.gz XXPNNNIAQSCWET-ABFRBSLYSA-N 2 2 271.408 2.960 20 30 CFEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442853960 382961526 /nfs/dbraw/zinc/96/15/26/382961526.db2.gz VKLZRRKLMNGPPE-KGLIPLIRSA-N 2 2 282.391 2.788 20 30 CFEDLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000446847406 382993151 /nfs/dbraw/zinc/99/31/51/382993151.db2.gz MGPLSLWPGUKYEI-CABCVRRESA-N 2 2 263.429 2.780 20 30 CFEDLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000446847406 382993156 /nfs/dbraw/zinc/99/31/56/382993156.db2.gz MGPLSLWPGUKYEI-CABCVRRESA-N 2 2 263.429 2.780 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593967995 383123432 /nfs/dbraw/zinc/12/34/32/383123432.db2.gz FJKYFCPYWZYIDS-MRXNPFEDSA-N 2 2 280.375 2.590 20 30 CFEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593967995 383123438 /nfs/dbraw/zinc/12/34/38/383123438.db2.gz FJKYFCPYWZYIDS-MRXNPFEDSA-N 2 2 280.375 2.590 20 30 CFEDLP CC#CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246791916 383104755 /nfs/dbraw/zinc/10/47/55/383104755.db2.gz PBPRVXMSYZSYQX-FUHWJXTLSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246791916 383104756 /nfs/dbraw/zinc/10/47/56/383104756.db2.gz PBPRVXMSYZSYQX-FUHWJXTLSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246791916 383104759 /nfs/dbraw/zinc/10/47/59/383104759.db2.gz PBPRVXMSYZSYQX-FUHWJXTLSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246791916 383104761 /nfs/dbraw/zinc/10/47/61/383104761.db2.gz PBPRVXMSYZSYQX-FUHWJXTLSA-N 2 2 270.420 2.995 20 30 CFEDLP CC1(C#N)CCC([NH2+]CCc2cn3ccccc3[nH+]2)CC1 ZINC000449218280 383184637 /nfs/dbraw/zinc/18/46/37/383184637.db2.gz GYRNTNRMGXVVEP-UHFFFAOYSA-N 2 2 282.391 2.939 20 30 CFEDLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449085039 383168012 /nfs/dbraw/zinc/16/80/12/383168012.db2.gz ZXOGJKADPGQZMG-FHERZECASA-N 2 2 263.429 2.780 20 30 CFEDLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449085039 383168015 /nfs/dbraw/zinc/16/80/15/383168015.db2.gz ZXOGJKADPGQZMG-FHERZECASA-N 2 2 263.429 2.780 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389478 383257760 /nfs/dbraw/zinc/25/77/60/383257760.db2.gz DCPSTWKHDNYZRG-CVEARBPZSA-N 2 2 268.445 2.558 20 30 CFEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389478 383257764 /nfs/dbraw/zinc/25/77/64/383257764.db2.gz DCPSTWKHDNYZRG-CVEARBPZSA-N 2 2 268.445 2.558 20 30 CFEDLP N#C[C@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000570765900 383632690 /nfs/dbraw/zinc/63/26/90/383632690.db2.gz ONIJZKZITCTMAX-IRXDYDNUSA-N 2 2 294.402 2.756 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000435747612 383779916 /nfs/dbraw/zinc/77/99/16/383779916.db2.gz JZMPGDLZUDXZBW-HOCLYGCPSA-N 2 2 285.391 2.714 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573880848 384005916 /nfs/dbraw/zinc/00/59/16/384005916.db2.gz VOXFOKCCYHKTKT-XOKHGSTOSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573880848 384005924 /nfs/dbraw/zinc/00/59/24/384005924.db2.gz VOXFOKCCYHKTKT-XOKHGSTOSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573880848 384005928 /nfs/dbraw/zinc/00/59/28/384005928.db2.gz VOXFOKCCYHKTKT-XOKHGSTOSA-N 2 2 269.392 2.788 20 30 CFEDLP C[C@H](c1cccc(C#N)c1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573880848 384005935 /nfs/dbraw/zinc/00/59/35/384005935.db2.gz VOXFOKCCYHKTKT-XOKHGSTOSA-N 2 2 269.392 2.788 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000277331684 384269110 /nfs/dbraw/zinc/26/91/10/384269110.db2.gz VOSXSMLAYHUBRS-OAHLLOKOSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000277331684 384269114 /nfs/dbraw/zinc/26/91/14/384269114.db2.gz VOSXSMLAYHUBRS-OAHLLOKOSA-N 2 2 275.371 2.613 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000639399945 385518610 /nfs/dbraw/zinc/51/86/10/385518610.db2.gz WJYUPMOSVWSAQS-GOSISDBHSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1ccc(C[N@H+](C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000639399945 385518615 /nfs/dbraw/zinc/51/86/15/385518615.db2.gz WJYUPMOSVWSAQS-GOSISDBHSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccco1 ZINC000286239706 385576227 /nfs/dbraw/zinc/57/62/27/385576227.db2.gz TWUJNDBHTWFFAH-CVEARBPZSA-N 2 2 292.423 2.845 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3cnccc3c2)CC1 ZINC000683768377 542720411 /nfs/dbraw/zinc/72/04/11/542720411.db2.gz CVHYPOLCYCJZAG-UHFFFAOYSA-N 2 2 281.403 2.975 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000081094939 393730987 /nfs/dbraw/zinc/73/09/87/393730987.db2.gz AWKLANRZBGTVMD-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000081094939 393730991 /nfs/dbraw/zinc/73/09/91/393730991.db2.gz AWKLANRZBGTVMD-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000081094939 393730994 /nfs/dbraw/zinc/73/09/94/393730994.db2.gz AWKLANRZBGTVMD-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)[C@H](C)C1 ZINC000081094939 393730995 /nfs/dbraw/zinc/73/09/95/393730995.db2.gz AWKLANRZBGTVMD-DYVFJYSZSA-N 2 2 289.398 2.859 20 30 CFEDLP C[C@H](C#N)C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000338362043 393784552 /nfs/dbraw/zinc/78/45/52/393784552.db2.gz VYLPUJIOIUTRBX-CQSZACIVSA-N 2 2 280.375 2.996 20 30 CFEDLP C[C@H](C#N)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000338362043 393784555 /nfs/dbraw/zinc/78/45/55/393784555.db2.gz VYLPUJIOIUTRBX-CQSZACIVSA-N 2 2 280.375 2.996 20 30 CFEDLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339103511 393819110 /nfs/dbraw/zinc/81/91/10/393819110.db2.gz SMBUKDSRPYHBBR-BZZMCLGOSA-N 2 2 298.434 2.698 20 30 CFEDLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339103511 393819116 /nfs/dbraw/zinc/81/91/16/393819116.db2.gz SMBUKDSRPYHBBR-BZZMCLGOSA-N 2 2 298.434 2.698 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339103511 393819123 /nfs/dbraw/zinc/81/91/23/393819123.db2.gz SMBUKDSRPYHBBR-BZZMCLGOSA-N 2 2 298.434 2.698 20 30 CFEDLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339103511 393819129 /nfs/dbraw/zinc/81/91/29/393819129.db2.gz SMBUKDSRPYHBBR-BZZMCLGOSA-N 2 2 298.434 2.698 20 30 CFEDLP C=C(C)[C@@H](CO)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000684621144 542838482 /nfs/dbraw/zinc/83/84/82/542838482.db2.gz SZSPIDNUIMKMJA-GOSISDBHSA-N 2 2 299.418 2.919 20 30 CFEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCCC1)c1ccsc1 ZINC000261996111 393952525 /nfs/dbraw/zinc/95/25/25/393952525.db2.gz NYKLKJQQSQZDRV-CQSZACIVSA-N 2 2 294.468 2.588 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](CNc1nc(C)[nH+]cc1C)C(C)C ZINC000647854319 395445650 /nfs/dbraw/zinc/44/56/50/395445650.db2.gz LHOYWZFTLOYJKL-INIZCTEOSA-N 2 2 288.439 2.626 20 30 CFEDLP C=CCOc1ccccc1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788150 413229859 /nfs/dbraw/zinc/22/98/59/413229859.db2.gz FBPLSCGDWKWZMU-UHFFFAOYSA-N 2 2 260.381 2.613 20 30 CFEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)o1 ZINC000343156425 154128123 /nfs/dbraw/zinc/12/81/23/154128123.db2.gz YHMAVDYBHDUZJA-UHFFFAOYSA-N 2 2 292.342 2.686 20 30 CFEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)COC ZINC000661243456 413847787 /nfs/dbraw/zinc/84/77/87/413847787.db2.gz KPLSTRNHGMJGJC-HNNXBMFYSA-N 2 2 285.391 2.895 20 30 CFEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C)COC ZINC000661243456 413847793 /nfs/dbraw/zinc/84/77/93/413847793.db2.gz KPLSTRNHGMJGJC-HNNXBMFYSA-N 2 2 285.391 2.895 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1COC2(CCC2)C1)C(C)C ZINC000657834927 413986450 /nfs/dbraw/zinc/98/64/50/413986450.db2.gz MUUFPHDKJSRRLO-DLBZAZTESA-N 2 2 292.467 2.986 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000657890664 414032827 /nfs/dbraw/zinc/03/28/27/414032827.db2.gz LWODZSOPJVUERD-BBWFWOEESA-N 2 2 280.456 2.679 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657981409 414086221 /nfs/dbraw/zinc/08/62/21/414086221.db2.gz QSNHSNNVCMWCRH-ILXRZTDVSA-N 2 2 259.397 2.922 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658059730 414143102 /nfs/dbraw/zinc/14/31/02/414143102.db2.gz KGVOVMJFARXYAK-NXHRZFHOSA-N 2 2 292.467 2.964 20 30 CFEDLP C=CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000658294194 414352622 /nfs/dbraw/zinc/35/26/22/414352622.db2.gz MEXOPTDASUAZQH-DLBZAZTESA-N 2 2 278.440 2.574 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655713141 414383164 /nfs/dbraw/zinc/38/31/64/414383164.db2.gz WDCCCPSWNSYPAH-OCCSQVGLSA-N 2 2 254.443 2.511 20 30 CFEDLP N#CC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000336149607 228197918 /nfs/dbraw/zinc/19/79/18/228197918.db2.gz RDVZLYLOYWWQDH-UHFFFAOYSA-N 2 2 284.407 2.703 20 30 CFEDLP C=C(C)COCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000090451044 260359901 /nfs/dbraw/zinc/35/99/01/260359901.db2.gz QRZUFBLMGMTGQS-SFHVURJKSA-N 2 2 288.435 2.833 20 30 CFEDLP C=C(C)COCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000090451044 260359902 /nfs/dbraw/zinc/35/99/02/260359902.db2.gz QRZUFBLMGMTGQS-SFHVURJKSA-N 2 2 288.435 2.833 20 30 CFEDLP Cc1[nH+]cc(C[NH2+]CCCCC#N)n1-c1ccccc1 ZINC000084021380 260360203 /nfs/dbraw/zinc/36/02/03/260360203.db2.gz JPXNSJCHASMOIE-UHFFFAOYSA-N 2 2 268.364 2.964 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000278281479 263046555 /nfs/dbraw/zinc/04/65/55/263046555.db2.gz PZMCKULWNGXNGJ-FGTMMUONSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000278281479 263046556 /nfs/dbraw/zinc/04/65/56/263046556.db2.gz PZMCKULWNGXNGJ-FGTMMUONSA-N 2 2 283.419 2.933 20 30 CFEDLP N#CCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282144678 263074669 /nfs/dbraw/zinc/07/46/69/263074669.db2.gz SDMDTDHIRBMAKG-AWEZNQCLSA-N 2 2 272.396 2.703 20 30 CFEDLP N#CCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282144678 263074670 /nfs/dbraw/zinc/07/46/70/263074670.db2.gz SDMDTDHIRBMAKG-AWEZNQCLSA-N 2 2 272.396 2.703 20 30 CFEDLP C[N@@H+]1CC[C@H]([NH2+]CCCSCC#N)[C@@H]1c1ccccc1 ZINC000289459965 263110322 /nfs/dbraw/zinc/11/03/22/263110322.db2.gz VTNSWJOGQHBAJM-HOTGVXAUSA-N 2 2 289.448 2.668 20 30 CFEDLP C[N@H+]1CC[C@H]([NH2+]CCCSCC#N)[C@@H]1c1ccccc1 ZINC000289459965 263110323 /nfs/dbraw/zinc/11/03/23/263110323.db2.gz VTNSWJOGQHBAJM-HOTGVXAUSA-N 2 2 289.448 2.668 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000353674809 263377343 /nfs/dbraw/zinc/37/73/43/263377343.db2.gz XSYQQACUOSVMOP-CQSZACIVSA-N 2 2 274.412 2.652 20 30 CFEDLP C=CC[C@@H](CC)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000368530088 267181144 /nfs/dbraw/zinc/18/11/44/267181144.db2.gz IIHZVWKOWQAZLN-MRXNPFEDSA-N 2 2 273.424 2.990 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000369671930 267258010 /nfs/dbraw/zinc/25/80/10/267258010.db2.gz KBDRBVHUWOPIOW-UHFFFAOYSA-N 2 2 283.379 2.687 20 30 CFEDLP Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399754124 267301943 /nfs/dbraw/zinc/30/19/43/267301943.db2.gz VWDIEDNGQDHZBO-OAHLLOKOSA-N 2 2 294.402 2.616 20 30 CFEDLP CC[NH2+]CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423236927 279505049 /nfs/dbraw/zinc/50/50/49/279505049.db2.gz PGDDZSRCDXNIKM-MRXNPFEDSA-N 2 2 257.381 2.525 20 30 CFEDLP N#CCSCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536368275 327232472 /nfs/dbraw/zinc/23/24/72/327232472.db2.gz CXNJVQYFFAWHDP-UHFFFAOYSA-N 2 2 290.436 2.605 20 30 CFEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000560856903 327348153 /nfs/dbraw/zinc/34/81/53/327348153.db2.gz IQMSLYNWIGAYTO-AWEZNQCLSA-N 2 2 297.337 2.545 20 30 CFEDLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000562667221 327503823 /nfs/dbraw/zinc/50/38/23/327503823.db2.gz MPGALTQKACFRFD-MRXNPFEDSA-N 2 2 297.446 2.975 20 30 CFEDLP C=C(C)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375273600 329002349 /nfs/dbraw/zinc/00/23/49/329002349.db2.gz AUGWICVJSRVOMB-HOTGVXAUSA-N 2 2 259.397 2.582 20 30 CFEDLP C=C(C)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375273600 329002350 /nfs/dbraw/zinc/00/23/50/329002350.db2.gz AUGWICVJSRVOMB-HOTGVXAUSA-N 2 2 259.397 2.582 20 30 CFEDLP C=C(C)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375273600 329002352 /nfs/dbraw/zinc/00/23/52/329002352.db2.gz AUGWICVJSRVOMB-HOTGVXAUSA-N 2 2 259.397 2.582 20 30 CFEDLP C=C(C)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375273600 329002353 /nfs/dbraw/zinc/00/23/53/329002353.db2.gz AUGWICVJSRVOMB-HOTGVXAUSA-N 2 2 259.397 2.582 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000181716728 329235999 /nfs/dbraw/zinc/23/59/99/329235999.db2.gz VQVLAJDWHGCYEQ-HZPDHXFCSA-N 2 2 278.440 2.574 20 30 CFEDLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185795437 329332011 /nfs/dbraw/zinc/33/20/11/329332011.db2.gz YFSLQXXPIGXFPS-LVQVYYBASA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185795437 329332013 /nfs/dbraw/zinc/33/20/13/329332013.db2.gz YFSLQXXPIGXFPS-LVQVYYBASA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185795452 329332140 /nfs/dbraw/zinc/33/21/40/329332140.db2.gz YFSLQXXPIGXFPS-XUWVNRHRSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185795452 329332141 /nfs/dbraw/zinc/33/21/41/329332141.db2.gz YFSLQXXPIGXFPS-XUWVNRHRSA-N 2 2 263.429 2.779 20 30 CFEDLP C=CCC1(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CCCC1 ZINC000419713150 329744522 /nfs/dbraw/zinc/74/45/22/329744522.db2.gz QNJRVXRRBIVAHJ-UHFFFAOYSA-N 2 2 276.428 2.712 20 30 CFEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248735826 329898308 /nfs/dbraw/zinc/89/83/08/329898308.db2.gz DPDOYQUWPUCASG-SQNIBIBYSA-N 2 2 285.435 2.831 20 30 CFEDLP CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2c[nH+]cn2C)cc1 ZINC000262324584 330006166 /nfs/dbraw/zinc/00/61/66/330006166.db2.gz STJOOZVVOFKADT-GFCCVEGCSA-N 2 2 285.395 2.860 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000423415635 330197689 /nfs/dbraw/zinc/19/76/89/330197689.db2.gz DYSNKXBGYJEIJV-UNEWFSDZSA-N 2 2 269.392 2.545 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000437243763 330695846 /nfs/dbraw/zinc/69/58/46/330695846.db2.gz CHFNXQOAOGMFFM-IRXDYDNUSA-N 2 2 274.408 2.893 20 30 CFEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442816782 330785402 /nfs/dbraw/zinc/78/54/02/330785402.db2.gz FXNCOXPNLYNLIA-IIDMSEBBSA-N 2 2 298.434 2.889 20 30 CFEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)Cc1cccs1 ZINC000459285872 331274589 /nfs/dbraw/zinc/27/45/89/331274589.db2.gz CECWCLLEHWKMSJ-UHFFFAOYSA-N 2 2 261.394 2.712 20 30 CFEDLP C=CC[N@H+](CCc1c[nH+]cn1C)Cc1cccs1 ZINC000459285872 331274590 /nfs/dbraw/zinc/27/45/90/331274590.db2.gz CECWCLLEHWKMSJ-UHFFFAOYSA-N 2 2 261.394 2.712 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488438723 332008389 /nfs/dbraw/zinc/00/83/89/332008389.db2.gz MXRINOJOKLKQJZ-LSDHHAIUSA-N 2 2 268.470 2.757 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488438721 332008415 /nfs/dbraw/zinc/00/84/15/332008415.db2.gz MXRINOJOKLKQJZ-GJZGRUSLSA-N 2 2 268.470 2.757 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000491814392 332365813 /nfs/dbraw/zinc/36/58/13/332365813.db2.gz NEACNQKERCGSAK-CYBMUJFWSA-N 2 2 296.336 2.636 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000491814392 332365815 /nfs/dbraw/zinc/36/58/15/332365815.db2.gz NEACNQKERCGSAK-CYBMUJFWSA-N 2 2 296.336 2.636 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000248875414 334320403 /nfs/dbraw/zinc/32/04/03/334320403.db2.gz JESBVCIUOUJGLN-BRWVUGGUSA-N 2 2 275.440 2.923 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000248875414 334320404 /nfs/dbraw/zinc/32/04/04/334320404.db2.gz JESBVCIUOUJGLN-BRWVUGGUSA-N 2 2 275.440 2.923 20 30 CFEDLP C[N@@H+]1CCC[C@@H](C[NH2+]CCC#N)[C@@H]1c1cccs1 ZINC000577216847 335324352 /nfs/dbraw/zinc/32/43/52/335324352.db2.gz VSOHZZFHPURNHJ-GXTWGEPZSA-N 2 2 263.410 2.634 20 30 CFEDLP C[N@H+]1CCC[C@@H](C[NH2+]CCC#N)[C@@H]1c1cccs1 ZINC000577216847 335324353 /nfs/dbraw/zinc/32/43/53/335324353.db2.gz VSOHZZFHPURNHJ-GXTWGEPZSA-N 2 2 263.410 2.634 20 30 CFEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000183818982 335907310 /nfs/dbraw/zinc/90/73/10/335907310.db2.gz IDHMUXQQHNHAIH-AWEZNQCLSA-N 2 2 289.398 2.582 20 30 CFEDLP C#CC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000359885322 500571340 /nfs/dbraw/zinc/57/13/40/500571340.db2.gz ZNQKQBGJKLSVKB-AWEZNQCLSA-N 2 2 274.383 2.792 20 30 CFEDLP COc1cc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)ccc1C#N ZINC000423124628 533908842 /nfs/dbraw/zinc/90/88/42/533908842.db2.gz OXEWDJCOLFSUOV-IRXDYDNUSA-N 2 2 293.370 2.801 20 30 CFEDLP N#CC1(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000352813211 534548644 /nfs/dbraw/zinc/54/86/44/534548644.db2.gz ALHPQEFAIAGFBJ-LJQANCHMSA-N 2 2 295.430 2.888 20 30 CFEDLP N#CC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000352813211 534548648 /nfs/dbraw/zinc/54/86/48/534548648.db2.gz ALHPQEFAIAGFBJ-LJQANCHMSA-N 2 2 295.430 2.888 20 30 CFEDLP N#CC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000352813211 534548654 /nfs/dbraw/zinc/54/86/54/534548654.db2.gz ALHPQEFAIAGFBJ-LJQANCHMSA-N 2 2 295.430 2.888 20 30 CFEDLP N#CC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000352813211 534548659 /nfs/dbraw/zinc/54/86/59/534548659.db2.gz ALHPQEFAIAGFBJ-LJQANCHMSA-N 2 2 295.430 2.888 20 30 CFEDLP COc1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)ccc1C#N ZINC000374227761 522369498 /nfs/dbraw/zinc/36/94/98/522369498.db2.gz FRTAUJPWJYRAHP-UHFFFAOYSA-N 2 2 299.418 2.627 20 30 CFEDLP N#CCc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000332453535 534717230 /nfs/dbraw/zinc/71/72/30/534717230.db2.gz NPYOIBDTMZUAOK-UHFFFAOYSA-N 2 2 280.375 2.855 20 30 CFEDLP C[N@@H+]1CCCC12CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC000336356688 523790063 /nfs/dbraw/zinc/79/00/63/523790063.db2.gz WGGQXRCLCWDAJU-UHFFFAOYSA-N 2 2 269.392 2.618 20 30 CFEDLP C[N@H+]1CCCC12CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC000336356688 523790070 /nfs/dbraw/zinc/79/00/70/523790070.db2.gz WGGQXRCLCWDAJU-UHFFFAOYSA-N 2 2 269.392 2.618 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2csc(C)n2)CC1 ZINC000106245889 526604013 /nfs/dbraw/zinc/60/40/13/526604013.db2.gz BHJJYEKPTJCZFS-UHFFFAOYSA-N 2 2 265.426 2.582 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000336460433 526612492 /nfs/dbraw/zinc/61/24/92/526612492.db2.gz FPOCNVISEFBYTI-CQSZACIVSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000336460433 526612495 /nfs/dbraw/zinc/61/24/95/526612495.db2.gz FPOCNVISEFBYTI-CQSZACIVSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000336460432 526613324 /nfs/dbraw/zinc/61/33/24/526613324.db2.gz FPOCNVISEFBYTI-AWEZNQCLSA-N 2 2 284.338 2.800 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000336460432 526613328 /nfs/dbraw/zinc/61/33/28/526613328.db2.gz FPOCNVISEFBYTI-AWEZNQCLSA-N 2 2 284.338 2.800 20 30 CFEDLP C=CCOc1ccc(C[N@@H+](CCC)[C@H]2CC[NH2+]C2)cc1 ZINC000347099264 526862702 /nfs/dbraw/zinc/86/27/02/526862702.db2.gz KQFVNZSMTSNCEH-INIZCTEOSA-N 2 2 274.408 2.825 20 30 CFEDLP C=CCOc1ccc(C[N@H+](CCC)[C@H]2CC[NH2+]C2)cc1 ZINC000347099264 526862709 /nfs/dbraw/zinc/86/27/09/526862709.db2.gz KQFVNZSMTSNCEH-INIZCTEOSA-N 2 2 274.408 2.825 20 30 CFEDLP C#CCOc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000177590622 618456056 /nfs/dbraw/zinc/45/60/56/618456056.db2.gz JDQGQCQMNKHGRJ-UHFFFAOYSA-N 2 2 295.386 2.685 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC000892648905 618673024 /nfs/dbraw/zinc/67/30/24/618673024.db2.gz GSDHMOMJDRLBCK-KRWDZBQOSA-N 2 2 281.403 2.939 20 30 CFEDLP C(#Cc1ccccc1)C[NH2+]CCCCNc1cccc[nH+]1 ZINC000892872505 618760888 /nfs/dbraw/zinc/76/08/88/618760888.db2.gz UHIZITGKHJUDOQ-UHFFFAOYSA-N 2 2 279.387 2.915 20 30 CFEDLP C[C@@H](CC[NH2+]CC#Cc1ccccc1)[NH+]1CCCCC1 ZINC000893534434 619042141 /nfs/dbraw/zinc/04/21/41/619042141.db2.gz LMWGUWCCNMOUOE-KRWDZBQOSA-N 2 2 270.420 2.892 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000894863393 619488387 /nfs/dbraw/zinc/48/83/87/619488387.db2.gz BBTWPMMTVKQUGZ-UHFFFAOYSA-N 2 2 291.782 2.526 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000894863393 619488389 /nfs/dbraw/zinc/48/83/89/619488389.db2.gz BBTWPMMTVKQUGZ-UHFFFAOYSA-N 2 2 291.782 2.526 20 30 CFEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000898316258 620372105 /nfs/dbraw/zinc/37/21/05/620372105.db2.gz NASVCNGCKHEXHE-KFWWJZLASA-N 2 2 251.418 2.635 20 30 CFEDLP CC1(C#N)CCC([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000902436452 621079249 /nfs/dbraw/zinc/07/92/49/621079249.db2.gz YINYWSHGXRRCOM-JCUPBUFNSA-N 2 2 269.392 2.673 20 30 CFEDLP C[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C[NH+]1CCCCC1 ZINC000902756041 621165750 /nfs/dbraw/zinc/16/57/50/621165750.db2.gz AVLGFQANGDWOSM-GJZGRUSLSA-N 2 2 286.423 2.726 20 30 CFEDLP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902808845 621176289 /nfs/dbraw/zinc/17/62/89/621176289.db2.gz GFQVMIDMBBSVMB-BBRMVZONSA-N 2 2 288.439 2.970 20 30 CFEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000902793914 621178269 /nfs/dbraw/zinc/17/82/69/621178269.db2.gz ORVIGBXWHUVMDO-HOCLYGCPSA-N 2 2 286.423 2.724 20 30 CFEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000902793914 621178271 /nfs/dbraw/zinc/17/82/71/621178271.db2.gz ORVIGBXWHUVMDO-HOCLYGCPSA-N 2 2 286.423 2.724 20 30 CFEDLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903039768 621231693 /nfs/dbraw/zinc/23/16/93/621231693.db2.gz XMRWOUVIEYYBME-CQSZACIVSA-N 2 2 274.412 2.582 20 30 CFEDLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903039768 621231697 /nfs/dbraw/zinc/23/16/97/621231697.db2.gz XMRWOUVIEYYBME-CQSZACIVSA-N 2 2 274.412 2.582 20 30 CFEDLP N#Cc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903120293 621260628 /nfs/dbraw/zinc/26/06/28/621260628.db2.gz NCRMNTMCKFTQIC-ZXFUBFMLSA-N 2 2 299.393 2.945 20 30 CFEDLP N#Cc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903120293 621260629 /nfs/dbraw/zinc/26/06/29/621260629.db2.gz NCRMNTMCKFTQIC-ZXFUBFMLSA-N 2 2 299.393 2.945 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000903459773 621380830 /nfs/dbraw/zinc/38/08/30/621380830.db2.gz ZMOXFTZTEXPOPM-SMDDNHRTSA-N 2 2 277.799 2.628 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000903459773 621380832 /nfs/dbraw/zinc/38/08/32/621380832.db2.gz ZMOXFTZTEXPOPM-SMDDNHRTSA-N 2 2 277.799 2.628 20 30 CFEDLP CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1[NH3+] ZINC000903450048 621386294 /nfs/dbraw/zinc/38/62/94/621386294.db2.gz LDVFQPHXYMQBKF-ZFWWWQNUSA-N 2 2 277.799 2.771 20 30 CFEDLP CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1[NH3+] ZINC000903450048 621386298 /nfs/dbraw/zinc/38/62/98/621386298.db2.gz LDVFQPHXYMQBKF-ZFWWWQNUSA-N 2 2 277.799 2.771 20 30 CFEDLP CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1[NH3+] ZINC000903450043 621386483 /nfs/dbraw/zinc/38/64/83/621386483.db2.gz LDVFQPHXYMQBKF-DZGCQCFKSA-N 2 2 277.799 2.771 20 30 CFEDLP CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1[NH3+] ZINC000903450043 621386485 /nfs/dbraw/zinc/38/64/85/621386485.db2.gz LDVFQPHXYMQBKF-DZGCQCFKSA-N 2 2 277.799 2.771 20 30 CFEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000903452686 621387323 /nfs/dbraw/zinc/38/73/23/621387323.db2.gz QOWKTFUOGHATON-OAHLLOKOSA-N 2 2 277.799 2.915 20 30 CFEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000903452686 621387327 /nfs/dbraw/zinc/38/73/27/621387327.db2.gz QOWKTFUOGHATON-OAHLLOKOSA-N 2 2 277.799 2.915 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000237564556 624963154 /nfs/dbraw/zinc/96/31/54/624963154.db2.gz ABRBHUXQALVXBI-OAHLLOKOSA-N 2 2 299.418 2.717 20 30 CFEDLP N#CCCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237817291 624980106 /nfs/dbraw/zinc/98/01/06/624980106.db2.gz SGTCEPWGSKLOPX-UHFFFAOYSA-N 2 2 254.337 2.656 20 30 CFEDLP CCCCCCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817914019 625962478 /nfs/dbraw/zinc/96/24/78/625962478.db2.gz VHRGQMQGJGLURX-JKSUJKDBSA-N 2 2 268.445 2.704 20 30 CFEDLP C=CC[N@H+](CCC[NH2+]C1CC1)Cc1cccs1 ZINC000923301942 626464364 /nfs/dbraw/zinc/46/43/64/626464364.db2.gz LONVAHAHLKNUPC-UHFFFAOYSA-N 2 2 250.411 2.878 20 30 CFEDLP C=CC[N@@H+](CCC[NH2+]C1CC1)Cc1cccs1 ZINC000923301942 626464365 /nfs/dbraw/zinc/46/43/65/626464365.db2.gz LONVAHAHLKNUPC-UHFFFAOYSA-N 2 2 250.411 2.878 20 30 CFEDLP C=C(C[NH+](C)C)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000794801374 629687771 /nfs/dbraw/zinc/68/77/71/629687771.db2.gz ADQSPORDTFORAK-UHFFFAOYSA-N 2 2 298.390 2.545 20 30 CFEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000799715027 630338058 /nfs/dbraw/zinc/33/80/58/630338058.db2.gz KQCDJRNGGOUBJB-MJBXVCDLSA-N 2 2 260.385 2.580 20 30 CFEDLP C=CCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000841044989 631319239 /nfs/dbraw/zinc/31/92/39/631319239.db2.gz HGERGFDRQCTSFX-XJKSGUPXSA-N 2 2 261.413 2.697 20 30 CFEDLP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1C#N ZINC000817915248 632732296 /nfs/dbraw/zinc/73/22/96/632732296.db2.gz JSIGNQREZBVZRO-SJORKVTESA-N 2 2 293.370 2.801 20 30 CFEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000817916643 632733528 /nfs/dbraw/zinc/73/35/28/632733528.db2.gz ADNNZBOLLYZADD-UKPHBRMFSA-N 2 2 287.407 2.598 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000819023903 632932095 /nfs/dbraw/zinc/93/20/95/632932095.db2.gz LGVSNLISVCMWCB-INIZCTEOSA-N 2 2 294.826 2.613 20 30 CFEDLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000848574536 633293921 /nfs/dbraw/zinc/29/39/21/633293921.db2.gz FJPSFJNAOPZELP-SJORKVTESA-N 2 2 299.418 2.673 20 30 CFEDLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000848574536 633293924 /nfs/dbraw/zinc/29/39/24/633293924.db2.gz FJPSFJNAOPZELP-SJORKVTESA-N 2 2 299.418 2.673 20 30 CFEDLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cccc(C#N)c1O ZINC000866213819 638771933 /nfs/dbraw/zinc/77/19/33/638771933.db2.gz ZQPPJCXMEQAFPI-LBPRGKRZSA-N 2 2 275.396 2.502 20 30 CFEDLP C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C[NH+]1CCCC1 ZINC000866239190 638777453 /nfs/dbraw/zinc/77/74/53/638777453.db2.gz ROAHODXIMHBXFE-KGLIPLIRSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCc2cccnc2)CC1 ZINC000866261342 638783246 /nfs/dbraw/zinc/78/32/46/638783246.db2.gz SMAZZJZUBOYJBG-OAHLLOKOSA-N 2 2 273.424 2.643 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000866280923 638788370 /nfs/dbraw/zinc/78/83/70/638788370.db2.gz CPLCBZWNRZYGQK-QEJZJMRPSA-N 2 2 287.407 2.787 20 30 CFEDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866290454 638790185 /nfs/dbraw/zinc/79/01/85/638790185.db2.gz XVOSMMQIOBVJGF-ZDUSSCGKSA-N 2 2 287.407 2.787 20 30 CFEDLP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866373785 638808220 /nfs/dbraw/zinc/80/82/20/638808220.db2.gz SREKMFBQEROMFD-UONOGXRCSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866373785 638808223 /nfs/dbraw/zinc/80/82/23/638808223.db2.gz SREKMFBQEROMFD-UONOGXRCSA-N 2 2 287.407 2.646 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873230013 642082591 /nfs/dbraw/zinc/08/25/91/642082591.db2.gz KTZKZCGTBKWSQY-SJORKVTESA-N 2 2 272.392 2.626 20 30 CFEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473245 644726894 /nfs/dbraw/zinc/72/68/94/644726894.db2.gz AIXPVAPDSSANFI-UHFFFAOYSA-N 2 2 283.419 2.927 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000883131168 645618052 /nfs/dbraw/zinc/61/80/52/645618052.db2.gz KWVBOPXOVBMSTK-UHFFFAOYSA-N 2 2 291.464 2.845 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000883131168 645618055 /nfs/dbraw/zinc/61/80/55/645618055.db2.gz KWVBOPXOVBMSTK-UHFFFAOYSA-N 2 2 291.464 2.845 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1Cc2ccccc2O1 ZINC000883166315 645635361 /nfs/dbraw/zinc/63/53/61/645635361.db2.gz XDEGBFLGHHJNRJ-SJLPKXTDSA-N 2 2 297.402 2.811 20 30 CFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CCCO1 ZINC000883234013 645683078 /nfs/dbraw/zinc/68/30/78/645683078.db2.gz UWAZJFRNOOMEDM-HRCADAONSA-N 2 2 280.456 2.963 20 30 CFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CCCO1 ZINC000883234013 645683082 /nfs/dbraw/zinc/68/30/82/645683082.db2.gz UWAZJFRNOOMEDM-HRCADAONSA-N 2 2 280.456 2.963 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883387931 645785842 /nfs/dbraw/zinc/78/58/42/645785842.db2.gz ILMKMFIAAYLQCB-HYVNUMGLSA-N 2 2 280.375 2.906 20 30 CFEDLP Cc1[nH]c(C2CC[NH+](Cc3ccncc3C#N)CC2)[nH+]c1C ZINC000886661101 647095494 /nfs/dbraw/zinc/09/54/94/647095494.db2.gz MOFICDKKTNGACY-UHFFFAOYSA-N 2 2 295.390 2.673 20 30 CFEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874518 647165698 /nfs/dbraw/zinc/16/56/98/647165698.db2.gz PQKDJRXHLZXIII-QGZVFWFLSA-N 2 2 269.392 2.524 20 30 CFEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874518 647165701 /nfs/dbraw/zinc/16/57/01/647165701.db2.gz PQKDJRXHLZXIII-QGZVFWFLSA-N 2 2 269.392 2.524 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1O ZINC000924695912 648029592 /nfs/dbraw/zinc/02/95/92/648029592.db2.gz NQMIDBJXOBHFNG-UXLLHSPISA-N 2 2 299.418 2.931 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1O ZINC000924695912 648029595 /nfs/dbraw/zinc/02/95/95/648029595.db2.gz NQMIDBJXOBHFNG-UXLLHSPISA-N 2 2 299.418 2.931 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1O ZINC000924708804 648031931 /nfs/dbraw/zinc/03/19/31/648031931.db2.gz ZUFDENYPVNKNDV-CZUORRHYSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1O ZINC000924708804 648031935 /nfs/dbraw/zinc/03/19/35/648031935.db2.gz ZUFDENYPVNKNDV-CZUORRHYSA-N 2 2 287.407 2.646 20 30 CFEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000925524586 648199266 /nfs/dbraw/zinc/19/92/66/648199266.db2.gz VXFMHDOHGAFBSX-MCIONIFRSA-N 2 2 251.418 2.633 20 30 CFEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000925524586 648199270 /nfs/dbraw/zinc/19/92/70/648199270.db2.gz VXFMHDOHGAFBSX-MCIONIFRSA-N 2 2 251.418 2.633 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608700 648237714 /nfs/dbraw/zinc/23/77/14/648237714.db2.gz HZBGMEJYBPMDNS-GDBMZVCRSA-N 3 2 279.472 2.523 20 30 CFEDLP CC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000925838173 648339551 /nfs/dbraw/zinc/33/95/51/648339551.db2.gz KEJJXXFAIUJULZ-IAGOWNOFSA-N 2 2 271.408 2.877 20 30 CFEDLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccccc1 ZINC000925728986 776341203 /nfs/dbraw/zinc/34/12/03/776341203.db2.gz MZFFSGOHSNAZSU-FASAQXTFSA-N 2 2 291.398 2.704 20 30 CFEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC#N ZINC000425990420 776875940 /nfs/dbraw/zinc/87/59/40/776875940.db2.gz ZJFUYGYXDRCYMJ-UHFFFAOYSA-N 2 2 259.397 2.648 20 30 CFEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC#N ZINC000425990420 776875948 /nfs/dbraw/zinc/87/59/48/776875948.db2.gz ZJFUYGYXDRCYMJ-UHFFFAOYSA-N 2 2 259.397 2.648 20 30 CFEDLP N#Cc1ccc(CCC[N@@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235122590 778391877 /nfs/dbraw/zinc/39/18/77/778391877.db2.gz HKCXVAIJEWHCMW-GOSISDBHSA-N 2 2 283.419 2.709 20 30 CFEDLP N#Cc1ccc(CCC[N@H+]2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235122590 778391884 /nfs/dbraw/zinc/39/18/84/778391884.db2.gz HKCXVAIJEWHCMW-GOSISDBHSA-N 2 2 283.419 2.709 20 30 CFEDLP C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235194504 778410944 /nfs/dbraw/zinc/41/09/44/778410944.db2.gz WYWMIGDHPBXBMZ-NVXWUHKLSA-N 2 2 286.419 2.683 20 30 CFEDLP C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235194504 778410952 /nfs/dbraw/zinc/41/09/52/778410952.db2.gz WYWMIGDHPBXBMZ-NVXWUHKLSA-N 2 2 286.419 2.683 20 30 CFEDLP C=CCCCCCCCC[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235238897 778426843 /nfs/dbraw/zinc/42/68/43/778426843.db2.gz FXFQHXOUUVIKSN-IRXDYDNUSA-N 2 2 280.456 2.966 20 30 CFEDLP C=CCCCCCCCC[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235238897 778426849 /nfs/dbraw/zinc/42/68/49/778426849.db2.gz FXFQHXOUUVIKSN-IRXDYDNUSA-N 2 2 280.456 2.966 20 30 CFEDLP C[NH2+]CCC[N@H+](CCC#N)C1CCCCCCC1 ZINC001235664744 778530573 /nfs/dbraw/zinc/53/05/73/778530573.db2.gz VBHWMPVFUGMHRW-UHFFFAOYSA-N 2 2 251.418 2.924 20 30 CFEDLP C[NH2+]CCC[N@@H+](CCC#N)C1CCCCCCC1 ZINC001235664744 778530575 /nfs/dbraw/zinc/53/05/75/778530575.db2.gz VBHWMPVFUGMHRW-UHFFFAOYSA-N 2 2 251.418 2.924 20 30 CFEDLP C=CCc1cccc(C[N@@H+]2CCC[C@H]([NH2+]C3CC3)C2)c1O ZINC001236217949 778741808 /nfs/dbraw/zinc/74/18/08/778741808.db2.gz JHCSNKAKMCJJIL-KRWDZBQOSA-N 2 2 286.419 2.837 20 30 CFEDLP C=CCc1cccc(C[N@H+]2CCC[C@H]([NH2+]C3CC3)C2)c1O ZINC001236217949 778741810 /nfs/dbraw/zinc/74/18/10/778741810.db2.gz JHCSNKAKMCJJIL-KRWDZBQOSA-N 2 2 286.419 2.837 20 30 CFEDLP C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218038 778742996 /nfs/dbraw/zinc/74/29/96/778742996.db2.gz RCAKIYYBCBVUKG-JKSUJKDBSA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218038 778743000 /nfs/dbraw/zinc/74/30/00/778743000.db2.gz RCAKIYYBCBVUKG-JKSUJKDBSA-N 2 2 274.408 2.953 20 30 CFEDLP N#Cc1ccc(CCC[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001236522936 778858107 /nfs/dbraw/zinc/85/81/07/778858107.db2.gz ZAFLGXRZGRZKBW-UHFFFAOYSA-N 2 2 293.414 2.952 20 30 CFEDLP N#Cc1ccc(CCC[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC001236522936 778858111 /nfs/dbraw/zinc/85/81/11/778858111.db2.gz ZAFLGXRZGRZKBW-UHFFFAOYSA-N 2 2 293.414 2.952 20 30 CFEDLP N#Cc1ccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236654642 778905613 /nfs/dbraw/zinc/90/56/13/778905613.db2.gz QORVDLUVGMENFZ-QGZVFWFLSA-N 2 2 299.418 2.760 20 30 CFEDLP N#Cc1ccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236654642 778905618 /nfs/dbraw/zinc/90/56/18/778905618.db2.gz QORVDLUVGMENFZ-QGZVFWFLSA-N 2 2 299.418 2.760 20 30 CFEDLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccnc(C#N)c1 ZINC001237467144 779115088 /nfs/dbraw/zinc/11/50/88/779115088.db2.gz RVAFZQHWFNQZMB-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccnc(C#N)c1 ZINC001237467144 779115091 /nfs/dbraw/zinc/11/50/91/779115091.db2.gz RVAFZQHWFNQZMB-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC001237467144 779115093 /nfs/dbraw/zinc/11/50/93/779115093.db2.gz RVAFZQHWFNQZMB-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC001237467144 779115097 /nfs/dbraw/zinc/11/50/97/779115097.db2.gz RVAFZQHWFNQZMB-ROUUACIJSA-N 2 2 298.434 2.792 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1Cl ZINC001205109115 779231342 /nfs/dbraw/zinc/23/13/42/779231342.db2.gz BBYSWRXXCGUWSF-CYBMUJFWSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1Cl ZINC001205109115 779231345 /nfs/dbraw/zinc/23/13/45/779231345.db2.gz BBYSWRXXCGUWSF-CYBMUJFWSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1Cl ZINC001205116743 779258142 /nfs/dbraw/zinc/25/81/42/779258142.db2.gz HPFWFTFVZHJKBB-CYBMUJFWSA-N 2 2 263.772 2.525 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1Cl ZINC001205116743 779258147 /nfs/dbraw/zinc/25/81/47/779258147.db2.gz HPFWFTFVZHJKBB-CYBMUJFWSA-N 2 2 263.772 2.525 20 30 CFEDLP Cc1c(-c2cc(C#N)cc(C3C[NH2+]C3)c2)ccc2[nH+]ccn21 ZINC001240360539 780113705 /nfs/dbraw/zinc/11/37/05/780113705.db2.gz CPEMRPVXUSZMGJ-UHFFFAOYSA-N 2 2 288.354 2.868 20 30 CFEDLP N#Cc1cc(F)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001241658125 781051791 /nfs/dbraw/zinc/05/17/91/781051791.db2.gz YXDUGPQFTQRGQF-UHFFFAOYSA-N 2 2 292.317 2.699 20 30 CFEDLP C[NH+](C)C1(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594506819 349433928 /nfs/dbraw/zinc/43/39/28/349433928.db2.gz DXHSROONRZWTTH-UHFFFAOYSA-N 2 2 271.408 2.672 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000594521305 349440655 /nfs/dbraw/zinc/44/06/55/349440655.db2.gz TYYCCIDUYKMTOV-QXSJWSMHSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000594521305 349440660 /nfs/dbraw/zinc/44/06/60/349440660.db2.gz TYYCCIDUYKMTOV-QXSJWSMHSA-N 2 2 261.413 2.675 20 30 CFEDLP C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000594585105 349452279 /nfs/dbraw/zinc/45/22/79/349452279.db2.gz LKOBNJDEAUNEIU-XJKSGUPXSA-N 2 2 269.392 2.668 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000594981742 349538220 /nfs/dbraw/zinc/53/82/20/349538220.db2.gz UBKXLOBUBWQMLU-HUUCEWRRSA-N 2 2 261.413 2.677 20 30 CFEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000594981742 349538222 /nfs/dbraw/zinc/53/82/22/349538222.db2.gz UBKXLOBUBWQMLU-HUUCEWRRSA-N 2 2 261.413 2.677 20 30 CFEDLP CC(C)[NH+]1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000595101626 349582384 /nfs/dbraw/zinc/58/23/84/349582384.db2.gz YAQACPLYSOROGI-UHFFFAOYSA-N 2 2 263.429 2.923 20 30 CFEDLP C[NH2+]CCC[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595893420 349763534 /nfs/dbraw/zinc/76/35/34/349763534.db2.gz QPOZKPAIPVLTQV-UHFFFAOYSA-N 2 2 285.313 2.618 20 30 CFEDLP C[NH2+]CCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000595893420 349763540 /nfs/dbraw/zinc/76/35/40/349763540.db2.gz QPOZKPAIPVLTQV-UHFFFAOYSA-N 2 2 285.313 2.618 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000294976205 199280478 /nfs/dbraw/zinc/28/04/78/199280478.db2.gz KHNPSGICGACLSH-SFHVURJKSA-N 2 2 282.387 2.914 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000294976205 199280480 /nfs/dbraw/zinc/28/04/80/199280480.db2.gz KHNPSGICGACLSH-SFHVURJKSA-N 2 2 282.387 2.914 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000294981033 199283069 /nfs/dbraw/zinc/28/30/69/199283069.db2.gz KQPSEANDPRGAMB-LJQANCHMSA-N 2 2 293.414 2.716 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000294981033 199283070 /nfs/dbraw/zinc/28/30/70/199283070.db2.gz KQPSEANDPRGAMB-LJQANCHMSA-N 2 2 293.414 2.716 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000295098914 199343470 /nfs/dbraw/zinc/34/34/70/199343470.db2.gz VSPSXHIYWRVSFI-MRXNPFEDSA-N 2 2 294.826 2.572 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000295098914 199343471 /nfs/dbraw/zinc/34/34/71/199343471.db2.gz VSPSXHIYWRVSFI-MRXNPFEDSA-N 2 2 294.826 2.572 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccco3)CC2)c1 ZINC000024878511 346257552 /nfs/dbraw/zinc/25/75/52/346257552.db2.gz LOQYXKUJIGTEKA-UHFFFAOYSA-N 2 2 295.386 2.905 20 30 CFEDLP N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080984848 347393711 /nfs/dbraw/zinc/39/37/11/347393711.db2.gz VIEXPEGKSMQELM-OAHLLOKOSA-N 2 2 296.374 2.540 20 30 CFEDLP N#Cc1cccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080984848 347393714 /nfs/dbraw/zinc/39/37/14/347393714.db2.gz VIEXPEGKSMQELM-OAHLLOKOSA-N 2 2 296.374 2.540 20 30 CFEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073954 347609166 /nfs/dbraw/zinc/60/91/66/347609166.db2.gz CGPYLJDFGLZKEV-CYBMUJFWSA-N 2 2 260.385 2.919 20 30 CFEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073954 347609167 /nfs/dbraw/zinc/60/91/67/347609167.db2.gz CGPYLJDFGLZKEV-CYBMUJFWSA-N 2 2 260.385 2.919 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000589350025 348829265 /nfs/dbraw/zinc/82/92/65/348829265.db2.gz UFLQOKCKFAKOLW-HOCLYGCPSA-N 2 2 292.386 2.806 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000589350025 348829268 /nfs/dbraw/zinc/82/92/68/348829268.db2.gz UFLQOKCKFAKOLW-HOCLYGCPSA-N 2 2 292.386 2.806 20 30 CFEDLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000591241513 349002950 /nfs/dbraw/zinc/00/29/50/349002950.db2.gz UJLCCIFBSLCZDP-QGZVFWFLSA-N 2 2 280.375 2.501 20 30 CFEDLP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[NH2+]1 ZINC000591573268 349030802 /nfs/dbraw/zinc/03/08/02/349030802.db2.gz CYOKUKABUWBIDT-IAQYHMDHSA-N 2 2 277.799 2.832 20 30 CFEDLP CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000591573480 349031285 /nfs/dbraw/zinc/03/12/85/349031285.db2.gz ZVOYHQDTLRBERD-GJZGRUSLSA-N 2 2 277.799 2.832 20 30 CFEDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591578270 349031551 /nfs/dbraw/zinc/03/15/51/349031551.db2.gz KACPDZOGBLKTLK-CSMYWGQOSA-N 2 2 269.392 2.523 20 30 CFEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000591582646 349032967 /nfs/dbraw/zinc/03/29/67/349032967.db2.gz RPXSGKLYMZZFLY-WBVHZDCISA-N 2 2 269.392 2.667 20 30 CFEDLP CC(C)(C#N)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000594493740 349429035 /nfs/dbraw/zinc/42/90/35/349429035.db2.gz RESNGEJSFDMWFN-UHFFFAOYSA-N 2 2 282.391 2.864 20 30 CFEDLP C=CCC[C@@H](O)C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000091075314 180094390 /nfs/dbraw/zinc/09/43/90/180094390.db2.gz RZNPEXDEPMOUGV-QGZVFWFLSA-N 2 2 290.451 2.814 20 30 CFEDLP C=CCC[C@@H](O)C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000091075314 180094392 /nfs/dbraw/zinc/09/43/92/180094392.db2.gz RZNPEXDEPMOUGV-QGZVFWFLSA-N 2 2 290.451 2.814 20 30 CFEDLP N#Cc1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000598918532 350346815 /nfs/dbraw/zinc/34/68/15/350346815.db2.gz KHZDBVWGVIPSSA-UHFFFAOYSA-N 2 2 293.361 2.625 20 30 CFEDLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C#N ZINC000599305896 350411088 /nfs/dbraw/zinc/41/10/88/350411088.db2.gz BNEMQPWPZGEOBS-UHFFFAOYSA-N 2 2 280.375 2.900 20 30 CFEDLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000600714931 350600135 /nfs/dbraw/zinc/60/01/35/350600135.db2.gz VPGOFOHKDZWMJJ-VUCTXSBTSA-N 2 2 269.392 2.666 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000600773353 350608438 /nfs/dbraw/zinc/60/84/38/350608438.db2.gz HBCXFNBFDOUAPJ-ZIAGYGMSSA-N 2 2 297.324 2.517 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000600773353 350608439 /nfs/dbraw/zinc/60/84/39/350608439.db2.gz HBCXFNBFDOUAPJ-ZIAGYGMSSA-N 2 2 297.324 2.517 20 30 CFEDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602005968 350828770 /nfs/dbraw/zinc/82/87/70/350828770.db2.gz IMOWXHOUDVVYIZ-CYBMUJFWSA-N 2 2 275.371 2.517 20 30 CFEDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602005968 350828772 /nfs/dbraw/zinc/82/87/72/350828772.db2.gz IMOWXHOUDVVYIZ-CYBMUJFWSA-N 2 2 275.371 2.517 20 30 CFEDLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602547957 350919977 /nfs/dbraw/zinc/91/99/77/350919977.db2.gz KJZDFMFKSJSAPO-GPANFISMSA-N 2 2 263.429 2.923 20 30 CFEDLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602547957 350919979 /nfs/dbraw/zinc/91/99/79/350919979.db2.gz KJZDFMFKSJSAPO-GPANFISMSA-N 2 2 263.429 2.923 20 30 CFEDLP COc1ccc([C@H](C[NH+](C)C)[NH2+]C[C@H](C)CCC#N)cc1 ZINC000602653802 350962415 /nfs/dbraw/zinc/96/24/15/350962415.db2.gz PBHOHEWUJRPPTR-PBHICJAKSA-N 2 2 289.423 2.827 20 30 CFEDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(F)c2C#N)C1 ZINC000602666734 350967446 /nfs/dbraw/zinc/96/74/46/350967446.db2.gz OOFALHFTTKTZIA-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(F)c2C#N)C1 ZINC000602666734 350967449 /nfs/dbraw/zinc/96/74/49/350967449.db2.gz OOFALHFTTKTZIA-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cccc(F)c2C#N)C1 ZINC000602666734 350967452 /nfs/dbraw/zinc/96/74/52/350967452.db2.gz OOFALHFTTKTZIA-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cccc(F)c2C#N)C1 ZINC000602666734 350967455 /nfs/dbraw/zinc/96/74/55/350967455.db2.gz OOFALHFTTKTZIA-PBHICJAKSA-N 2 2 287.382 2.613 20 30 CFEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+][C@@H](C)CC#N ZINC000602869763 351053333 /nfs/dbraw/zinc/05/33/33/351053333.db2.gz IDTBKLRKTNXOFS-ZDUSSCGKSA-N 2 2 254.337 2.573 20 30 CFEDLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC000603431592 351163194 /nfs/dbraw/zinc/16/31/94/351163194.db2.gz FQVZCOJRLWNRHO-DVOMOZLQSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC000603431592 351163196 /nfs/dbraw/zinc/16/31/96/351163196.db2.gz FQVZCOJRLWNRHO-DVOMOZLQSA-N 2 2 257.381 2.506 20 30 CFEDLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393407 351681504 /nfs/dbraw/zinc/68/15/04/351681504.db2.gz FJZGIZTYUJMMLT-KSSFIOAISA-N 2 2 283.419 2.867 20 30 CFEDLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393407 351681508 /nfs/dbraw/zinc/68/15/08/351681508.db2.gz FJZGIZTYUJMMLT-KSSFIOAISA-N 2 2 283.419 2.867 20 30 CFEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000612588238 351840362 /nfs/dbraw/zinc/84/03/62/351840362.db2.gz TUVAVYJWNVUGOM-UHFFFAOYSA-N 2 2 263.429 2.923 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000618804463 352884090 /nfs/dbraw/zinc/88/40/90/352884090.db2.gz ADQCPLSVQDKKNX-MRAWALMUSA-N 2 2 281.403 2.760 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000618804463 352884095 /nfs/dbraw/zinc/88/40/95/352884095.db2.gz ADQCPLSVQDKKNX-MRAWALMUSA-N 2 2 281.403 2.760 20 30 CFEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754890 353063474 /nfs/dbraw/zinc/06/34/74/353063474.db2.gz NZGFJVPGGQKPFN-MEDUHNTESA-N 2 2 289.810 2.784 20 30 CFEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754890 353063477 /nfs/dbraw/zinc/06/34/77/353063477.db2.gz NZGFJVPGGQKPFN-MEDUHNTESA-N 2 2 289.810 2.784 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cncc(F)c2)CC1 ZINC000153022316 188059810 /nfs/dbraw/zinc/05/98/10/188059810.db2.gz MEJZZYXGNHFXTJ-CYBMUJFWSA-N 2 2 277.387 2.912 20 30 CFEDLP C#CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156981525 188290905 /nfs/dbraw/zinc/29/09/05/188290905.db2.gz RHPZRZDOAVVESL-WBVHZDCISA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156981525 188290907 /nfs/dbraw/zinc/29/09/07/188290907.db2.gz RHPZRZDOAVVESL-WBVHZDCISA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156981525 188290908 /nfs/dbraw/zinc/29/09/08/188290908.db2.gz RHPZRZDOAVVESL-WBVHZDCISA-N 2 2 256.393 2.605 20 30 CFEDLP C#CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156981525 188290910 /nfs/dbraw/zinc/29/09/10/188290910.db2.gz RHPZRZDOAVVESL-WBVHZDCISA-N 2 2 256.393 2.605 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000271817116 191343994 /nfs/dbraw/zinc/34/39/94/191343994.db2.gz BPWWJIXYAXDHLR-UHFFFAOYSA-N 2 2 269.392 2.665 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631583918 355502700 /nfs/dbraw/zinc/50/27/00/355502700.db2.gz ZBKQGCHULTYMPF-KRWDZBQOSA-N 2 2 271.408 2.699 20 30 CFEDLP CC(C)[N@H+](CCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000297286013 200135929 /nfs/dbraw/zinc/13/59/29/200135929.db2.gz ANCYVFZCARMEJZ-UHFFFAOYSA-N 2 2 282.391 2.745 20 30 CFEDLP CC(C)[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(C#N)cc1 ZINC000297286013 200135930 /nfs/dbraw/zinc/13/59/30/200135930.db2.gz ANCYVFZCARMEJZ-UHFFFAOYSA-N 2 2 282.391 2.745 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000177906377 189078433 /nfs/dbraw/zinc/07/84/33/189078433.db2.gz AWHBDTVIPVHHCB-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000177906377 189078434 /nfs/dbraw/zinc/07/84/34/189078434.db2.gz AWHBDTVIPVHHCB-DYVFJYSZSA-N 2 2 298.365 2.977 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000177906543 189078685 /nfs/dbraw/zinc/07/86/85/189078685.db2.gz ORNSYLKAGHQSSY-KRWDZBQOSA-N 2 2 256.393 2.914 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000177912901 189079167 /nfs/dbraw/zinc/07/91/67/189079167.db2.gz FOBKSPBUHYEZTK-CQSZACIVSA-N 2 2 276.428 2.765 20 30 CFEDLP N#Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000182707015 189331860 /nfs/dbraw/zinc/33/18/60/189331860.db2.gz IWTJBAHDSWTFEJ-UHFFFAOYSA-N 2 2 280.375 2.809 20 30 CFEDLP N#Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000182707015 189331861 /nfs/dbraw/zinc/33/18/61/189331861.db2.gz IWTJBAHDSWTFEJ-UHFFFAOYSA-N 2 2 280.375 2.809 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000036679451 372585768 /nfs/dbraw/zinc/58/57/68/372585768.db2.gz GYRWNUWIRCIWKO-INIZCTEOSA-N 2 2 271.408 2.933 20 30 CFEDLP CCCCCCNC(=[NH2+])NCCc1[nH]c2ccccc2[nH+]1 ZINC000264084348 383694306 /nfs/dbraw/zinc/69/43/06/383694306.db2.gz JFUTUMNMEIHIKF-UHFFFAOYSA-N 2 2 287.411 2.590 20 30 CFEDLP CCc1ccc([C@H](CNC(=[NH2+])N(CC)CC)[NH+](C)C)cc1 ZINC000264106047 383697169 /nfs/dbraw/zinc/69/71/69/383697169.db2.gz NQYVXHMLZKZKQU-INIZCTEOSA-N 2 2 290.455 2.508 20 30 CFEDLP N#Cc1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000078969197 374578601 /nfs/dbraw/zinc/57/86/01/374578601.db2.gz OSPWIXALYJZVST-UHFFFAOYSA-N 2 2 292.386 2.712 20 30 CFEDLP N#Cc1csc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093604524 375272331 /nfs/dbraw/zinc/27/23/31/375272331.db2.gz BWOVQJNIESKPDE-ZDUSSCGKSA-N 2 2 275.421 2.537 20 30 CFEDLP N#Cc1csc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093604524 375272334 /nfs/dbraw/zinc/27/23/34/375272334.db2.gz BWOVQJNIESKPDE-ZDUSSCGKSA-N 2 2 275.421 2.537 20 30 CFEDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119838962 376484691 /nfs/dbraw/zinc/48/46/91/376484691.db2.gz IRDRXXBLIFSEIX-CQSZACIVSA-N 2 2 263.429 2.875 20 30 CFEDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119838962 376484694 /nfs/dbraw/zinc/48/46/94/376484694.db2.gz IRDRXXBLIFSEIX-CQSZACIVSA-N 2 2 263.429 2.875 20 30 CFEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000123620309 376962407 /nfs/dbraw/zinc/96/24/07/376962407.db2.gz LDACZBMNIMZSPS-QGZVFWFLSA-N 2 2 294.402 2.746 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000131170174 377671321 /nfs/dbraw/zinc/67/13/21/377671321.db2.gz IPWQXRHAWZSLBN-AWEZNQCLSA-N 2 2 289.448 2.928 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000131170174 377671328 /nfs/dbraw/zinc/67/13/28/377671328.db2.gz IPWQXRHAWZSLBN-AWEZNQCLSA-N 2 2 289.448 2.928 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000347020879 380885167 /nfs/dbraw/zinc/88/51/67/380885167.db2.gz NCRGCMKLLXAZIH-WMLDXEAASA-N 2 2 274.408 2.953 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000347020879 380885171 /nfs/dbraw/zinc/88/51/71/380885171.db2.gz NCRGCMKLLXAZIH-WMLDXEAASA-N 2 2 274.408 2.953 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358567055 380934042 /nfs/dbraw/zinc/93/40/42/380934042.db2.gz IYYDBBOAIWHIIM-ZDUSSCGKSA-N 2 2 287.382 2.998 20 30 CFEDLP C[C@H](CCC#N)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000411393777 381025233 /nfs/dbraw/zinc/02/52/33/381025233.db2.gz ASQJAHZBMHICKM-IIAWOOMASA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000411393777 381025240 /nfs/dbraw/zinc/02/52/40/381025240.db2.gz ASQJAHZBMHICKM-IIAWOOMASA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000411393777 381025245 /nfs/dbraw/zinc/02/52/45/381025245.db2.gz ASQJAHZBMHICKM-IIAWOOMASA-N 2 2 261.413 2.627 20 30 CFEDLP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000411393777 381025257 /nfs/dbraw/zinc/02/52/57/381025257.db2.gz ASQJAHZBMHICKM-IIAWOOMASA-N 2 2 261.413 2.627 20 30 CFEDLP N#Cc1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)ccc1F ZINC000370434485 381447366 /nfs/dbraw/zinc/44/73/66/381447366.db2.gz UUCVBXYOEMHTSK-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)ccc1F ZINC000370434485 381447371 /nfs/dbraw/zinc/44/73/71/381447371.db2.gz UUCVBXYOEMHTSK-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)ccc1F ZINC000370434485 381447372 /nfs/dbraw/zinc/44/73/72/381447372.db2.gz UUCVBXYOEMHTSK-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)ccc1F ZINC000370434485 381447375 /nfs/dbraw/zinc/44/73/75/381447375.db2.gz UUCVBXYOEMHTSK-NUJGCVRESA-N 2 2 299.393 2.613 20 30 CFEDLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000348274570 381478804 /nfs/dbraw/zinc/47/88/04/381478804.db2.gz BFWXBWVTSDAFDL-FAEJEUNOSA-N 2 2 285.435 2.930 20 30 CFEDLP C=CCOCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000348055193 381458705 /nfs/dbraw/zinc/45/87/05/381458705.db2.gz PCLKVVARGUZOSU-CVEARBPZSA-N 2 2 266.429 2.526 20 30 CFEDLP C=CCOCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000348055193 381458712 /nfs/dbraw/zinc/45/87/12/381458712.db2.gz PCLKVVARGUZOSU-CVEARBPZSA-N 2 2 266.429 2.526 20 30 CFEDLP C=CCOCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000348055193 381458715 /nfs/dbraw/zinc/45/87/15/381458715.db2.gz PCLKVVARGUZOSU-CVEARBPZSA-N 2 2 266.429 2.526 20 30 CFEDLP C=CCOCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000348055193 381458722 /nfs/dbraw/zinc/45/87/22/381458722.db2.gz PCLKVVARGUZOSU-CVEARBPZSA-N 2 2 266.429 2.526 20 30 CFEDLP C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348309276 381497322 /nfs/dbraw/zinc/49/73/22/381497322.db2.gz FMJWGWUGQWDXFR-CYBMUJFWSA-N 2 2 298.390 2.912 20 30 CFEDLP C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348309276 381497330 /nfs/dbraw/zinc/49/73/30/381497330.db2.gz FMJWGWUGQWDXFR-CYBMUJFWSA-N 2 2 298.390 2.912 20 30 CFEDLP C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348352813 381526620 /nfs/dbraw/zinc/52/66/20/381526620.db2.gz MHDZHTGYOWMVPQ-GFCCVEGCSA-N 2 2 284.363 2.522 20 30 CFEDLP C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348352813 381526626 /nfs/dbraw/zinc/52/66/26/381526626.db2.gz MHDZHTGYOWMVPQ-GFCCVEGCSA-N 2 2 284.363 2.522 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc3n(n2)CCC3)CC1 ZINC000414131888 381562140 /nfs/dbraw/zinc/56/21/40/381562140.db2.gz YMKAIYAAAPNGAT-AWEZNQCLSA-N 2 2 288.439 2.520 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1COC(C)(C)C1)C(C)C ZINC000417864739 382088864 /nfs/dbraw/zinc/08/88/64/382088864.db2.gz UPZYVFQYMZCBCG-JKSUJKDBSA-N 2 2 280.456 2.842 20 30 CFEDLP C=C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344105853 382131834 /nfs/dbraw/zinc/13/18/34/382131834.db2.gz QMTPHTWPXHLNJL-AWEZNQCLSA-N 2 2 269.392 2.687 20 30 CFEDLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000364300900 382302534 /nfs/dbraw/zinc/30/25/34/382302534.db2.gz MQMRMUVGXSCNNU-MAUKXSAKSA-N 2 2 295.386 2.934 20 30 CFEDLP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000364300900 382302540 /nfs/dbraw/zinc/30/25/40/382302540.db2.gz MQMRMUVGXSCNNU-MAUKXSAKSA-N 2 2 295.386 2.934 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)C(C)C ZINC000346448118 382365871 /nfs/dbraw/zinc/36/58/71/382365871.db2.gz BESBEHPDRDHMGB-BBWFWOEESA-N 2 2 280.456 2.842 20 30 CFEDLP N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365549506 382410841 /nfs/dbraw/zinc/41/08/41/382410841.db2.gz RPJBDRYXDYQVQV-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365549506 382410850 /nfs/dbraw/zinc/41/08/50/382410850.db2.gz RPJBDRYXDYQVQV-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365549506 382410857 /nfs/dbraw/zinc/41/08/57/382410857.db2.gz RPJBDRYXDYQVQV-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1ccc(F)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365549506 382410862 /nfs/dbraw/zinc/41/08/62/382410862.db2.gz RPJBDRYXDYQVQV-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000294909023 382543034 /nfs/dbraw/zinc/54/30/34/382543034.db2.gz GCKCODOVXASIES-ZDUSSCGKSA-N 2 2 289.810 2.817 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000294909023 382543041 /nfs/dbraw/zinc/54/30/41/382543041.db2.gz GCKCODOVXASIES-ZDUSSCGKSA-N 2 2 289.810 2.817 20 30 CFEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358331419 382572228 /nfs/dbraw/zinc/57/22/28/382572228.db2.gz SQBUZWLCVPMWRD-VNQPRFMTSA-N 2 2 257.381 2.571 20 30 CFEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358331419 382572229 /nfs/dbraw/zinc/57/22/29/382572229.db2.gz SQBUZWLCVPMWRD-VNQPRFMTSA-N 2 2 257.381 2.571 20 30 CFEDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358331415 382572673 /nfs/dbraw/zinc/57/26/73/382572673.db2.gz SQBUZWLCVPMWRD-BMFZPTHFSA-N 2 2 257.381 2.571 20 30 CFEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358331415 382572676 /nfs/dbraw/zinc/57/26/76/382572676.db2.gz SQBUZWLCVPMWRD-BMFZPTHFSA-N 2 2 257.381 2.571 20 30 CFEDLP C=CC[N@@H+](CCOC)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000191760955 382702301 /nfs/dbraw/zinc/70/23/01/382702301.db2.gz LLJPMANZRCIXRH-UHFFFAOYSA-N 2 2 285.391 2.815 20 30 CFEDLP C=CC[N@H+](CCOC)Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000191760955 382702302 /nfs/dbraw/zinc/70/23/02/382702302.db2.gz LLJPMANZRCIXRH-UHFFFAOYSA-N 2 2 285.391 2.815 20 30 CFEDLP CC(C)[N@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000535793945 382954972 /nfs/dbraw/zinc/95/49/72/382954972.db2.gz HGNUWBCLWMIGLR-UHFFFAOYSA-N 2 2 268.364 2.996 20 30 CFEDLP CC(C)[N@@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000535793945 382954976 /nfs/dbraw/zinc/95/49/76/382954976.db2.gz HGNUWBCLWMIGLR-UHFFFAOYSA-N 2 2 268.364 2.996 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442785974 382956602 /nfs/dbraw/zinc/95/66/02/382956602.db2.gz WMTJFIFXVHNSMA-HNNXBMFYSA-N 2 2 295.430 2.875 20 30 CFEDLP CC1(C)CCC[N@H+](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000446847407 382992778 /nfs/dbraw/zinc/99/27/78/382992778.db2.gz MGPLSLWPGUKYEI-GJZGRUSLSA-N 2 2 263.429 2.780 20 30 CFEDLP CC1(C)CCC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000446847407 382992784 /nfs/dbraw/zinc/99/27/84/382992784.db2.gz MGPLSLWPGUKYEI-GJZGRUSLSA-N 2 2 263.429 2.780 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245681888 383021878 /nfs/dbraw/zinc/02/18/78/383021878.db2.gz PFXBTFSBZOYYRY-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245681888 383021882 /nfs/dbraw/zinc/02/18/82/383021882.db2.gz PFXBTFSBZOYYRY-CXAGYDPISA-N 2 2 298.365 2.977 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449127786 383179852 /nfs/dbraw/zinc/17/98/52/383179852.db2.gz XNXHISXOELUZKY-UHFFFAOYSA-N 2 2 274.408 2.744 20 30 CFEDLP CC[C@H](CC#N)[NH2+]Cc1cncc(C[NH2+][C@H](CC)CC#N)c1 ZINC000566428457 383186862 /nfs/dbraw/zinc/18/68/62/383186862.db2.gz GBBJTFPTLGQDJM-IAGOWNOFSA-N 2 2 299.422 2.645 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248654952 383279038 /nfs/dbraw/zinc/27/90/38/383279038.db2.gz WAFCJCKICZDWQZ-BZZMCLGOSA-N 2 2 283.419 2.646 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248654952 383279040 /nfs/dbraw/zinc/27/90/40/383279040.db2.gz WAFCJCKICZDWQZ-BZZMCLGOSA-N 2 2 283.419 2.646 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449694287 383360831 /nfs/dbraw/zinc/36/08/31/383360831.db2.gz BIWDRZSCJYFXJE-KBAYOESNSA-N 2 2 288.435 2.739 20 30 CFEDLP C=CCC[C@H](CO)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449694287 383360834 /nfs/dbraw/zinc/36/08/34/383360834.db2.gz BIWDRZSCJYFXJE-KBAYOESNSA-N 2 2 288.435 2.739 20 30 CFEDLP CC#CCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000482162049 383431191 /nfs/dbraw/zinc/43/11/91/383431191.db2.gz FXDCCUPMHHZLAT-AEFFLSMTSA-N 2 2 270.420 2.900 20 30 CFEDLP CC#CCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000482162049 383431195 /nfs/dbraw/zinc/43/11/95/383431195.db2.gz FXDCCUPMHHZLAT-AEFFLSMTSA-N 2 2 270.420 2.900 20 30 CFEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000483964992 383452523 /nfs/dbraw/zinc/45/25/23/383452523.db2.gz LXSFHEVOYYAYKS-IBGZPJMESA-N 2 2 282.431 2.702 20 30 CFEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC000483964992 383452527 /nfs/dbraw/zinc/45/25/27/383452527.db2.gz LXSFHEVOYYAYKS-IBGZPJMESA-N 2 2 282.431 2.702 20 30 CFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000483964992 383452533 /nfs/dbraw/zinc/45/25/33/383452533.db2.gz LXSFHEVOYYAYKS-IBGZPJMESA-N 2 2 282.431 2.702 20 30 CFEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483964992 383452538 /nfs/dbraw/zinc/45/25/38/383452538.db2.gz LXSFHEVOYYAYKS-IBGZPJMESA-N 2 2 282.431 2.702 20 30 CFEDLP N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266930468 384262857 /nfs/dbraw/zinc/26/28/57/384262857.db2.gz OMYHBQIDWAJWFO-OAHLLOKOSA-N 2 2 296.374 2.540 20 30 CFEDLP N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266930468 384262867 /nfs/dbraw/zinc/26/28/67/384262867.db2.gz OMYHBQIDWAJWFO-OAHLLOKOSA-N 2 2 296.374 2.540 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000277337872 384271293 /nfs/dbraw/zinc/27/12/93/384271293.db2.gz VYNFIRHVUQYWNQ-OAHLLOKOSA-N 2 2 275.371 2.613 20 30 CFEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000277337872 384271296 /nfs/dbraw/zinc/27/12/96/384271296.db2.gz VYNFIRHVUQYWNQ-OAHLLOKOSA-N 2 2 275.371 2.613 20 30 CFEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000289382997 197321307 /nfs/dbraw/zinc/32/13/07/197321307.db2.gz QFXIZWPKXMWUBB-UHFFFAOYSA-N 2 2 255.365 2.651 20 30 CFEDLP C=CC[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000289382997 197321308 /nfs/dbraw/zinc/32/13/08/197321308.db2.gz QFXIZWPKXMWUBB-UHFFFAOYSA-N 2 2 255.365 2.651 20 30 CFEDLP N#Cc1ccc(F)cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000268295869 384593587 /nfs/dbraw/zinc/59/35/87/384593587.db2.gz KXOZGDGSKBTMOP-UHFFFAOYSA-N 2 2 284.338 2.800 20 30 CFEDLP Cc1cccc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000268925163 384693466 /nfs/dbraw/zinc/69/34/66/384693466.db2.gz VTLAQDVOYJTJTC-UHFFFAOYSA-N 2 2 292.386 2.584 20 30 CFEDLP C#CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280284008 384959045 /nfs/dbraw/zinc/95/90/45/384959045.db2.gz SRTRGPJRNMXEHJ-UHFFFAOYSA-N 2 2 253.349 2.615 20 30 CFEDLP COc1cc(C#N)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271012293 385301878 /nfs/dbraw/zinc/30/18/78/385301878.db2.gz HZLIADJEPLQLHF-UHFFFAOYSA-N 2 2 296.374 2.670 20 30 CFEDLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271963245 385412841 /nfs/dbraw/zinc/41/28/41/385412841.db2.gz RTDQSEYYCCTRSP-TYNCELHUSA-N 2 2 287.382 2.973 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@@H+]1C ZINC000272208397 385474579 /nfs/dbraw/zinc/47/45/79/385474579.db2.gz KGSOZODKSUPHSC-XJKSGUPXSA-N 2 2 269.392 2.620 20 30 CFEDLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000272208397 385474582 /nfs/dbraw/zinc/47/45/82/385474582.db2.gz KGSOZODKSUPHSC-XJKSGUPXSA-N 2 2 269.392 2.620 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272593237 385570752 /nfs/dbraw/zinc/57/07/52/385570752.db2.gz IAZZNXSEGZCKSI-WMZOPIPTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272593237 385570754 /nfs/dbraw/zinc/57/07/54/385570754.db2.gz IAZZNXSEGZCKSI-WMZOPIPTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272593237 385570755 /nfs/dbraw/zinc/57/07/55/385570755.db2.gz IAZZNXSEGZCKSI-WMZOPIPTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272593237 385570757 /nfs/dbraw/zinc/57/07/57/385570757.db2.gz IAZZNXSEGZCKSI-WMZOPIPTSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CC[NH+]1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000272938187 385659897 /nfs/dbraw/zinc/65/98/97/385659897.db2.gz WOKPASLZKFRFCM-UHFFFAOYSA-N 2 2 286.423 2.726 20 30 CFEDLP C=C(C)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000274780439 385869775 /nfs/dbraw/zinc/86/97/75/385869775.db2.gz KPHMZMMXUQYPLV-UHFFFAOYSA-N 2 2 287.451 2.987 20 30 CFEDLP C=C(C)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000274780439 385869778 /nfs/dbraw/zinc/86/97/78/385869778.db2.gz KPHMZMMXUQYPLV-UHFFFAOYSA-N 2 2 287.451 2.987 20 30 CFEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](Cc2cccs2)CC1 ZINC000364860398 262263161 /nfs/dbraw/zinc/26/31/61/262263161.db2.gz WXOXWMJBKDKLQN-ZDUSSCGKSA-N 2 2 277.437 2.994 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000192042631 130357160 /nfs/dbraw/zinc/35/71/60/130357160.db2.gz CHFPKFHBCYSEPH-IBGZPJMESA-N 2 2 282.431 2.846 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000192042631 130357162 /nfs/dbraw/zinc/35/71/62/130357162.db2.gz CHFPKFHBCYSEPH-IBGZPJMESA-N 2 2 282.431 2.846 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3CC3)CC2)cc1 ZINC000181996772 393505037 /nfs/dbraw/zinc/50/50/37/393505037.db2.gz UGDQNGTZSNQBOH-UHFFFAOYSA-N 2 2 283.419 2.912 20 30 CFEDLP N#CC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000343318328 393883577 /nfs/dbraw/zinc/88/35/77/393883577.db2.gz GDHXUKAPTVBGFE-INIZCTEOSA-N 2 2 275.440 2.878 20 30 CFEDLP N#CC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000343318328 393883578 /nfs/dbraw/zinc/88/35/78/393883578.db2.gz GDHXUKAPTVBGFE-INIZCTEOSA-N 2 2 275.440 2.878 20 30 CFEDLP C[C@H](CC#N)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346148204 393921481 /nfs/dbraw/zinc/92/14/81/393921481.db2.gz WMTFLISZVGZYNN-LLVKDONJSA-N 2 2 260.366 2.668 20 30 CFEDLP C[C@H](CC#N)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346148204 393921482 /nfs/dbraw/zinc/92/14/82/393921482.db2.gz WMTFLISZVGZYNN-LLVKDONJSA-N 2 2 260.366 2.668 20 30 CFEDLP CC#CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000121809179 393960310 /nfs/dbraw/zinc/96/03/10/393960310.db2.gz PBPRVXMSYZSYQX-AEFFLSMTSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000121809179 393960311 /nfs/dbraw/zinc/96/03/11/393960311.db2.gz PBPRVXMSYZSYQX-AEFFLSMTSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121809179 393960312 /nfs/dbraw/zinc/96/03/12/393960312.db2.gz PBPRVXMSYZSYQX-AEFFLSMTSA-N 2 2 270.420 2.995 20 30 CFEDLP CC#CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121809179 393960313 /nfs/dbraw/zinc/96/03/13/393960313.db2.gz PBPRVXMSYZSYQX-AEFFLSMTSA-N 2 2 270.420 2.995 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000349308564 393967499 /nfs/dbraw/zinc/96/74/99/393967499.db2.gz AIBQVXPIMBTOBT-KZNAEPCWSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000349308564 393967501 /nfs/dbraw/zinc/96/75/01/393967501.db2.gz AIBQVXPIMBTOBT-KZNAEPCWSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000349308565 393967550 /nfs/dbraw/zinc/96/75/50/393967550.db2.gz AIBQVXPIMBTOBT-SQNIBIBYSA-N 2 2 283.419 2.933 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000349308565 393967552 /nfs/dbraw/zinc/96/75/52/393967552.db2.gz AIBQVXPIMBTOBT-SQNIBIBYSA-N 2 2 283.419 2.933 20 30 CFEDLP C=C(C)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282014315 394110960 /nfs/dbraw/zinc/11/09/60/394110960.db2.gz JXEYBVANMMNZKF-AWEZNQCLSA-N 2 2 259.397 2.975 20 30 CFEDLP C=C(C)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282014315 394110965 /nfs/dbraw/zinc/11/09/65/394110965.db2.gz JXEYBVANMMNZKF-AWEZNQCLSA-N 2 2 259.397 2.975 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000450731431 394328940 /nfs/dbraw/zinc/32/89/40/394328940.db2.gz ZYJKKMZJWYCPIK-CABCVRRESA-N 2 2 275.440 2.923 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450731431 394328942 /nfs/dbraw/zinc/32/89/42/394328942.db2.gz ZYJKKMZJWYCPIK-CABCVRRESA-N 2 2 275.440 2.923 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1F ZINC000541904741 394691267 /nfs/dbraw/zinc/69/12/67/394691267.db2.gz CYAVQZZRSMBUBA-JSGCOSHPSA-N 2 2 275.371 2.690 20 30 CFEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000541904741 394691270 /nfs/dbraw/zinc/69/12/70/394691270.db2.gz CYAVQZZRSMBUBA-JSGCOSHPSA-N 2 2 275.371 2.690 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567774060 395083604 /nfs/dbraw/zinc/08/36/04/395083604.db2.gz PUZMDBNMGJJEAJ-WBVHZDCISA-N 2 2 283.419 2.790 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567774060 395083608 /nfs/dbraw/zinc/08/36/08/395083608.db2.gz PUZMDBNMGJJEAJ-WBVHZDCISA-N 2 2 283.419 2.790 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2CC(C)C)CC1 ZINC000647181140 395205415 /nfs/dbraw/zinc/20/54/15/395205415.db2.gz LMNNTWNRYITLHW-UHFFFAOYSA-N 2 2 290.455 2.669 20 30 CFEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1F ZINC000352889386 163263181 /nfs/dbraw/zinc/26/31/81/163263181.db2.gz YGEUDUWBKQEHQE-CQSZACIVSA-N 2 2 287.382 2.615 20 30 CFEDLP N#Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1F ZINC000352889386 163263182 /nfs/dbraw/zinc/26/31/82/163263182.db2.gz YGEUDUWBKQEHQE-CQSZACIVSA-N 2 2 287.382 2.615 20 30 CFEDLP C=C(C)[C@H](CO)[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660856195 413618607 /nfs/dbraw/zinc/61/86/07/413618607.db2.gz FUDMUAQMEBYELI-KRWDZBQOSA-N 2 2 299.418 2.754 20 30 CFEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000657530033 413713159 /nfs/dbraw/zinc/71/31/59/413713159.db2.gz LNXRKQOQOZGHFY-ZFWWWQNUSA-N 2 2 276.428 2.711 20 30 CFEDLP C=CCOCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657658353 413826856 /nfs/dbraw/zinc/82/68/56/413826856.db2.gz TURCWEMHFVGWRE-UHFFFAOYSA-N 2 2 277.393 2.616 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C2CCC(OCC)CC2)CC1 ZINC000657876697 414020933 /nfs/dbraw/zinc/02/09/33/414020933.db2.gz ZLKHHPVKOARTRY-UHFFFAOYSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000657899296 414038402 /nfs/dbraw/zinc/03/84/02/414038402.db2.gz BIOIPSUGRRXDFP-DOTOQJQBSA-N 2 2 280.456 2.822 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000658025413 414112230 /nfs/dbraw/zinc/11/22/30/414112230.db2.gz BKOGPYJBAIIPEP-BRWVUGGUSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000658025413 414112236 /nfs/dbraw/zinc/11/22/36/414112236.db2.gz BKOGPYJBAIIPEP-BRWVUGGUSA-N 2 2 280.456 2.558 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655713139 414383816 /nfs/dbraw/zinc/38/38/16/414383816.db2.gz WDCCCPSWNSYPAH-GXTWGEPZSA-N 2 2 254.443 2.511 20 30 CFEDLP C=CCC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000130553203 260398721 /nfs/dbraw/zinc/39/87/21/260398721.db2.gz FYWFVWXYOCQUPK-CQSZACIVSA-N 2 2 259.397 2.995 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000185784350 262070528 /nfs/dbraw/zinc/07/05/28/262070528.db2.gz DLNCLGBWLCZRFZ-WBVHZDCISA-N 2 2 298.434 2.718 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000192937484 262212714 /nfs/dbraw/zinc/21/27/14/262212714.db2.gz HYQJYRVHJWRBAC-ZIAGYGMSSA-N 2 2 258.369 2.556 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CCCC#N)C[N@H+](Cc2ccccc2)C1 ZINC000274410314 263023966 /nfs/dbraw/zinc/02/39/66/263023966.db2.gz ZVQNQJBCBBPSDV-WBVHZDCISA-N 2 2 271.408 2.790 20 30 CFEDLP C[C@@H]1C[C@H]([NH2+]CCCC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000274410314 263023967 /nfs/dbraw/zinc/02/39/67/263023967.db2.gz ZVQNQJBCBBPSDV-WBVHZDCISA-N 2 2 271.408 2.790 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293736998 263148185 /nfs/dbraw/zinc/14/81/85/263148185.db2.gz ZUESPKXVPDOTGG-HUUCEWRRSA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293736998 263148186 /nfs/dbraw/zinc/14/81/86/263148186.db2.gz ZUESPKXVPDOTGG-HUUCEWRRSA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1)Cc1ccco1 ZINC000293736998 263148188 /nfs/dbraw/zinc/14/81/88/263148188.db2.gz ZUESPKXVPDOTGG-HUUCEWRRSA-N 2 2 275.396 2.726 20 30 CFEDLP C[NH+](CCC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1)Cc1ccco1 ZINC000293736998 263148189 /nfs/dbraw/zinc/14/81/89/263148189.db2.gz ZUESPKXVPDOTGG-HUUCEWRRSA-N 2 2 275.396 2.726 20 30 CFEDLP Cc1cn2cc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)ccc2[nH+]1 ZINC000328915851 263901409 /nfs/dbraw/zinc/90/14/09/263901409.db2.gz JYQGDXWBZMQAKO-LBPRGKRZSA-N 2 2 295.346 2.690 20 30 CFEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]CCCc1c[nH+]ccc1C ZINC000425352262 264123282 /nfs/dbraw/zinc/12/32/82/264123282.db2.gz KJTDRYPJQICAFO-HOTGVXAUSA-N 2 2 260.381 2.503 20 30 CFEDLP CC1(C#N)CC[NH+](CCC[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000356462159 266119727 /nfs/dbraw/zinc/11/97/27/266119727.db2.gz UFRZKFOVZAXMLE-UHFFFAOYSA-N 2 2 288.439 2.628 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000368135111 267147885 /nfs/dbraw/zinc/14/78/85/267147885.db2.gz OOQCQVBWJFEKQH-CYBMUJFWSA-N 2 2 260.385 2.539 20 30 CFEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000368135111 267147887 /nfs/dbraw/zinc/14/78/87/267147887.db2.gz OOQCQVBWJFEKQH-CYBMUJFWSA-N 2 2 260.385 2.539 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000037292758 290019462 /nfs/dbraw/zinc/01/94/62/290019462.db2.gz ZMKFWIIEXXTNQW-IAOVAPTHSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000037292758 290019464 /nfs/dbraw/zinc/01/94/64/290019464.db2.gz ZMKFWIIEXXTNQW-IAOVAPTHSA-N 2 2 269.392 2.836 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000342748654 290045160 /nfs/dbraw/zinc/04/51/60/290045160.db2.gz XDUONZCKJLTKBD-ZENOOKHLSA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000342748654 290045164 /nfs/dbraw/zinc/04/51/64/290045164.db2.gz XDUONZCKJLTKBD-ZENOOKHLSA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000185779359 329331864 /nfs/dbraw/zinc/33/18/64/329331864.db2.gz DZEZJLCMXZEMNW-FXUDXRNXSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000185779359 329331866 /nfs/dbraw/zinc/33/18/66/329331866.db2.gz DZEZJLCMXZEMNW-FXUDXRNXSA-N 2 2 263.429 2.779 20 30 CFEDLP N#Cc1cccc(C[NH2+]CC[NH2+]C2CCCCCC2)c1 ZINC000580197020 325014848 /nfs/dbraw/zinc/01/48/48/325014848.db2.gz NPNHMICPQNLHDJ-UHFFFAOYSA-N 2 2 271.408 2.960 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](CNCc1c[nH+]c(C)n1C)C(C)C ZINC000584362287 329103115 /nfs/dbraw/zinc/10/31/15/329103115.db2.gz TVFDLWUMLKKVCU-QGZVFWFLSA-N 2 2 290.455 2.517 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000181716711 329235888 /nfs/dbraw/zinc/23/58/88/329235888.db2.gz VQVLAJDWHGCYEQ-HOTGVXAUSA-N 2 2 278.440 2.574 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000185221710 329268945 /nfs/dbraw/zinc/26/89/45/329268945.db2.gz CJNZMHLAIFSWLT-HZPDHXFCSA-N 2 2 280.456 2.819 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000421836766 330092166 /nfs/dbraw/zinc/09/21/66/330092166.db2.gz RPZQSDIXYIROCC-INIZCTEOSA-N 2 2 285.435 2.569 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379651096 330145649 /nfs/dbraw/zinc/14/56/49/330145649.db2.gz UBJIEQCYBJDZIG-INMHGKMJSA-N 2 2 271.408 2.789 20 30 CFEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379651096 330145651 /nfs/dbraw/zinc/14/56/51/330145651.db2.gz UBJIEQCYBJDZIG-INMHGKMJSA-N 2 2 271.408 2.789 20 30 CFEDLP C=CCOc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422903589 330162162 /nfs/dbraw/zinc/16/21/62/330162162.db2.gz FRXMMYCDIZTPLV-ZBFHGGJFSA-N 2 2 274.408 2.872 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422982751 330162672 /nfs/dbraw/zinc/16/26/72/330162672.db2.gz XUYZDLRDNNAKBB-AEFFLSMTSA-N 3 2 293.499 2.927 20 30 CFEDLP C=C(C)[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(F)c(F)c1 ZINC000423050433 330167521 /nfs/dbraw/zinc/16/75/21/330167521.db2.gz LGYFDNHKLPPIGW-MEBBXXQBSA-N 2 2 266.335 2.780 20 30 CFEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423176913 330175011 /nfs/dbraw/zinc/17/50/11/330175011.db2.gz GNXVUKWIOGRGDU-CGTJXYLNSA-N 2 2 288.435 2.530 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527657164 330273414 /nfs/dbraw/zinc/27/34/14/330273414.db2.gz OCZRCLHHFCRVLA-UHFFFAOYSA-N 2 2 269.392 2.908 20 30 CFEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000435737271 330661434 /nfs/dbraw/zinc/66/14/34/330661434.db2.gz GLXOQJPADKIBLC-FUHWJXTLSA-N 2 2 297.402 2.943 20 30 CFEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000435747610 330661980 /nfs/dbraw/zinc/66/19/80/330661980.db2.gz JZMPGDLZUDXZBW-GDBMZVCRSA-N 2 2 285.391 2.714 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449125664 330900525 /nfs/dbraw/zinc/90/05/25/330900525.db2.gz SOPMQYMDVLTSBP-UHFFFAOYSA-N 2 2 261.413 2.699 20 30 CFEDLP Cc1cccn2c(C[NH2+][C@H]3CC[C@@H](CC#N)C3)c[nH+]c12 ZINC000449446409 330926366 /nfs/dbraw/zinc/92/63/66/330926366.db2.gz QMBFEQFCDWRPRD-KBPBESRZSA-N 2 2 268.364 2.815 20 30 CFEDLP C=C(C)CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449470874 330928334 /nfs/dbraw/zinc/92/83/34/330928334.db2.gz BLNPUOSUIBSCHO-UHFFFAOYSA-N 2 2 259.397 2.602 20 30 CFEDLP C=CCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108715 331054580 /nfs/dbraw/zinc/05/45/80/331054580.db2.gz FLPHQXXQLHCSBG-UHFFFAOYSA-N 2 2 264.335 2.911 20 30 CFEDLP C=CCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108715 331054581 /nfs/dbraw/zinc/05/45/81/331054581.db2.gz FLPHQXXQLHCSBG-UHFFFAOYSA-N 2 2 264.335 2.911 20 30 CFEDLP C#C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(F)cc1 ZINC000491742654 332321007 /nfs/dbraw/zinc/32/10/07/332321007.db2.gz LUSOOHHRYRWZGL-KRWDZBQOSA-N 2 2 274.383 2.962 20 30 CFEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000517041304 333090644 /nfs/dbraw/zinc/09/06/44/333090644.db2.gz MAOZEVZDTOPNLU-MRXNPFEDSA-N 2 2 293.455 2.503 20 30 CFEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000517041304 333090645 /nfs/dbraw/zinc/09/06/45/333090645.db2.gz MAOZEVZDTOPNLU-MRXNPFEDSA-N 2 2 293.455 2.503 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000578879467 335684009 /nfs/dbraw/zinc/68/40/09/335684009.db2.gz PLBNDPZDOKIHIO-NEPJUHHUSA-N 2 2 272.377 2.716 20 30 CFEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3C#N)CC[C@H]21 ZINC000336452881 523858080 /nfs/dbraw/zinc/85/80/80/523858080.db2.gz ARENJFCRISNJPN-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(F)c3C#N)CC[C@H]21 ZINC000336452881 523858084 /nfs/dbraw/zinc/85/80/84/523858084.db2.gz ARENJFCRISNJPN-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3C#N)CC[C@H]21 ZINC000336452881 523858087 /nfs/dbraw/zinc/85/80/87/523858087.db2.gz ARENJFCRISNJPN-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3C#N)CC[C@H]21 ZINC000336452881 523858089 /nfs/dbraw/zinc/85/80/89/523858089.db2.gz ARENJFCRISNJPN-WMLDXEAASA-N 2 2 287.382 2.613 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000106245428 526603922 /nfs/dbraw/zinc/60/39/22/526603922.db2.gz XETNUCPUEKOTDB-UHFFFAOYSA-N 2 2 295.408 2.786 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000192061892 526611497 /nfs/dbraw/zinc/61/14/97/526611497.db2.gz AOXGSZCIBBHFOC-UHFFFAOYSA-N 2 2 284.338 2.731 20 30 CFEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000361834671 526617214 /nfs/dbraw/zinc/61/72/14/526617214.db2.gz WGZDPXPYIDNUQH-INIZCTEOSA-N 2 2 297.333 2.746 20 30 CFEDLP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000361834671 526617215 /nfs/dbraw/zinc/61/72/15/526617215.db2.gz WGZDPXPYIDNUQH-INIZCTEOSA-N 2 2 297.333 2.746 20 30 CFEDLP Cc1ccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000747838450 574215161 /nfs/dbraw/zinc/21/51/61/574215161.db2.gz CFAVQMBFPDFRFE-UHFFFAOYSA-N 2 2 297.402 2.894 20 30 CFEDLP CCCCCCCC[N@@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000740878144 574272032 /nfs/dbraw/zinc/27/20/32/574272032.db2.gz XDUMSTXXIYVDKE-OAHLLOKOSA-N 2 2 256.434 2.609 20 30 CFEDLP CCCCCCCC[N@H+]1CCO[C@H](C[NH+](C)C)C1 ZINC000740878144 574272035 /nfs/dbraw/zinc/27/20/35/574272035.db2.gz XDUMSTXXIYVDKE-OAHLLOKOSA-N 2 2 256.434 2.609 20 30 CFEDLP C[NH+](C)CC1CCC(/[NH+]=C/c2cccc(O)c2O)CC1 ZINC000749583211 574300845 /nfs/dbraw/zinc/30/08/45/574300845.db2.gz VQFFJKQERFKROD-LICLKQGHSA-N 2 2 276.380 2.637 20 30 CFEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2csc(C#N)c2)C[C@H]1C ZINC000892101680 617949397 /nfs/dbraw/zinc/94/93/97/617949397.db2.gz BDGOHAZXICYTIS-TZMCWYRMSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2csc(C#N)c2)C[C@H]1C ZINC000892101680 617949401 /nfs/dbraw/zinc/94/94/01/617949401.db2.gz BDGOHAZXICYTIS-TZMCWYRMSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2csc(C#N)c2)C[C@H]1C ZINC000892101680 617949404 /nfs/dbraw/zinc/94/94/04/617949404.db2.gz BDGOHAZXICYTIS-TZMCWYRMSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C[C@H]1C ZINC000892101680 617949408 /nfs/dbraw/zinc/94/94/08/617949408.db2.gz BDGOHAZXICYTIS-TZMCWYRMSA-N 2 2 277.437 2.924 20 30 CFEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C[C@H]1CCC=CO1)C(C)C ZINC000194203490 618292579 /nfs/dbraw/zinc/29/25/79/618292579.db2.gz KHMSKICTUCOVDC-SJORKVTESA-N 2 2 278.440 2.967 20 30 CFEDLP N#CCc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000926629334 618317744 /nfs/dbraw/zinc/31/77/44/618317744.db2.gz WLIZSVWTGORCEU-MSOLQXFVSA-N 2 2 283.419 2.859 20 30 CFEDLP N#CCc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000926629334 618317755 /nfs/dbraw/zinc/31/77/55/618317755.db2.gz WLIZSVWTGORCEU-MSOLQXFVSA-N 2 2 283.419 2.859 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn3ccnc3s2)CC1 ZINC000892881443 618762457 /nfs/dbraw/zinc/76/24/57/618762457.db2.gz WMMDBFGXSHAAPC-UHFFFAOYSA-N 2 2 290.436 2.526 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(F)c(C)c2)CC1 ZINC000892880743 618762610 /nfs/dbraw/zinc/76/26/10/618762610.db2.gz HWIFCCYPWLYVNT-UHFFFAOYSA-N 2 2 277.387 2.659 20 30 CFEDLP C=CCCSCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925710342 618964258 /nfs/dbraw/zinc/96/42/58/618964258.db2.gz WRBKSCUGQANMLV-ZFWWWQNUSA-N 2 2 264.438 2.974 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000931620111 619061980 /nfs/dbraw/zinc/06/19/80/619061980.db2.gz DCZFDYIFIIFILO-ZWKOTPCHSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000931620111 619061981 /nfs/dbraw/zinc/06/19/81/619061981.db2.gz DCZFDYIFIIFILO-ZWKOTPCHSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000931620111 619061984 /nfs/dbraw/zinc/06/19/84/619061984.db2.gz DCZFDYIFIIFILO-ZWKOTPCHSA-N 2 2 283.419 2.844 20 30 CFEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000931620111 619061986 /nfs/dbraw/zinc/06/19/86/619061986.db2.gz DCZFDYIFIIFILO-ZWKOTPCHSA-N 2 2 283.419 2.844 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)C[C@](C)(O)CC)CC1 ZINC000924984071 619317037 /nfs/dbraw/zinc/31/70/37/619317037.db2.gz MPHCWWAWNZOBFM-GDBMZVCRSA-N 2 2 268.445 2.556 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2c(C)noc2C)CC1 ZINC000924984158 619317131 /nfs/dbraw/zinc/31/71/31/619317131.db2.gz OIHPBNTXMPKFCB-LLVKDONJSA-N 2 2 263.385 2.592 20 30 CFEDLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000926966794 620434268 /nfs/dbraw/zinc/43/42/68/620434268.db2.gz YEICZWYMZJOXTJ-QZTJIDSGSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000926966794 620434269 /nfs/dbraw/zinc/43/42/69/620434269.db2.gz YEICZWYMZJOXTJ-QZTJIDSGSA-N 2 2 283.419 2.973 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000924670968 620437535 /nfs/dbraw/zinc/43/75/35/620437535.db2.gz DZAOVNJPLHMHOY-KGLIPLIRSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000924670968 620437536 /nfs/dbraw/zinc/43/75/36/620437536.db2.gz DZAOVNJPLHMHOY-KGLIPLIRSA-N 2 2 251.418 2.636 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@]1(C)CCCCO1 ZINC000902724971 621158246 /nfs/dbraw/zinc/15/82/46/621158246.db2.gz NBDVRTYVKKYNEX-CVEARBPZSA-N 2 2 277.412 2.767 20 30 CFEDLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc(C#N)ccn1 ZINC000902759466 621166536 /nfs/dbraw/zinc/16/65/36/621166536.db2.gz YCRFJHRZNZAGJS-BBRMVZONSA-N 2 2 297.406 2.915 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058455 621236523 /nfs/dbraw/zinc/23/65/23/621236523.db2.gz HHHNZBUOGHSZAQ-PBHICJAKSA-N 2 2 298.434 2.726 20 30 CFEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058455 621236524 /nfs/dbraw/zinc/23/65/24/621236524.db2.gz HHHNZBUOGHSZAQ-PBHICJAKSA-N 2 2 298.434 2.726 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C[NH3+] ZINC000903459771 621380262 /nfs/dbraw/zinc/38/02/62/621380262.db2.gz ZMOXFTZTEXPOPM-FZMZJTMJSA-N 2 2 277.799 2.628 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C[NH3+] ZINC000903459771 621380267 /nfs/dbraw/zinc/38/02/67/621380267.db2.gz ZMOXFTZTEXPOPM-FZMZJTMJSA-N 2 2 277.799 2.628 20 30 CFEDLP C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000903459770 621380723 /nfs/dbraw/zinc/38/07/23/621380723.db2.gz ZMOXFTZTEXPOPM-BXUZGUMPSA-N 2 2 277.799 2.628 20 30 CFEDLP C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C[NH3+] ZINC000903459770 621380728 /nfs/dbraw/zinc/38/07/28/621380728.db2.gz ZMOXFTZTEXPOPM-BXUZGUMPSA-N 2 2 277.799 2.628 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000221789101 622927309 /nfs/dbraw/zinc/92/73/09/622927309.db2.gz JSXGRKIEBLBXCP-UHFFFAOYSA-N 2 2 274.408 2.519 20 30 CFEDLP C#CCOc1ccccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000221789101 622927313 /nfs/dbraw/zinc/92/73/13/622927313.db2.gz JSXGRKIEBLBXCP-UHFFFAOYSA-N 2 2 274.408 2.519 20 30 CFEDLP CCCCCCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817914010 625962269 /nfs/dbraw/zinc/96/22/69/625962269.db2.gz VHRGQMQGJGLURX-CVEARBPZSA-N 2 2 268.445 2.704 20 30 CFEDLP N#Cc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cs1 ZINC000922082099 626205084 /nfs/dbraw/zinc/20/50/84/626205084.db2.gz VPFGHAPSJLJLNN-UHFFFAOYSA-N 2 2 275.421 2.726 20 30 CFEDLP C#CCC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000922997763 626441134 /nfs/dbraw/zinc/44/11/34/626441134.db2.gz KZMBIHCLVCIIFJ-UHFFFAOYSA-N 2 2 271.389 2.969 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775385734 628017895 /nfs/dbraw/zinc/01/78/95/628017895.db2.gz MNAJHKWTLLHDPX-KFWWJZLASA-N 2 2 298.521 2.606 20 30 CFEDLP C#C[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000775575352 628042234 /nfs/dbraw/zinc/04/22/34/628042234.db2.gz WAKYZHLJGKCGTC-JCGIZDLHSA-N 2 2 295.386 2.704 20 30 CFEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1cccc(F)c1 ZINC000776180870 628112855 /nfs/dbraw/zinc/11/28/55/628112855.db2.gz RZBUDBUJLRFSBW-UHFFFAOYSA-N 2 2 258.300 2.733 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000817586047 632671261 /nfs/dbraw/zinc/67/12/61/632671261.db2.gz SJCUFXCNVWVZTB-CYBMUJFWSA-N 2 2 294.826 2.954 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000817586047 632671266 /nfs/dbraw/zinc/67/12/66/632671266.db2.gz SJCUFXCNVWVZTB-CYBMUJFWSA-N 2 2 294.826 2.954 20 30 CFEDLP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000866373783 638808399 /nfs/dbraw/zinc/80/83/99/638808399.db2.gz SREKMFBQEROMFD-KBPBESRZSA-N 2 2 287.407 2.646 20 30 CFEDLP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000866373783 638808401 /nfs/dbraw/zinc/80/84/01/638808401.db2.gz SREKMFBQEROMFD-KBPBESRZSA-N 2 2 287.407 2.646 20 30 CFEDLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866381777 638809939 /nfs/dbraw/zinc/80/99/39/638809939.db2.gz OIIZLAXJQODKDZ-AWEZNQCLSA-N 2 2 289.423 2.892 20 30 CFEDLP C=CCOc1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873230012 642082951 /nfs/dbraw/zinc/08/29/51/642082951.db2.gz KTZKZCGTBKWSQY-IRXDYDNUSA-N 2 2 272.392 2.626 20 30 CFEDLP CC1(C)CC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)[NH2+]C1 ZINC000873234321 642088308 /nfs/dbraw/zinc/08/83/08/642088308.db2.gz DTJVIGUWHIGFEJ-NVXWUHKLSA-N 2 2 283.419 2.913 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000876955998 643078342 /nfs/dbraw/zinc/07/83/42/643078342.db2.gz DLDSXGCWCVSORL-HOTGVXAUSA-N 2 2 293.455 2.549 20 30 CFEDLP C[C@H](CCC#N)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000876957282 643079514 /nfs/dbraw/zinc/07/95/14/643079514.db2.gz WMMUBZNSJPESMK-ZIAGYGMSSA-N 2 2 262.401 2.827 20 30 CFEDLP C=CCCCCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206128 644580920 /nfs/dbraw/zinc/58/09/20/644580920.db2.gz YRQLRPTWKJPTKQ-KRWDZBQOSA-N 2 2 280.456 2.966 20 30 CFEDLP C=CCCCCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206128 644580923 /nfs/dbraw/zinc/58/09/23/644580923.db2.gz YRQLRPTWKJPTKQ-KRWDZBQOSA-N 2 2 280.456 2.966 20 30 CFEDLP CCc1ccc([C@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C)cc1 ZINC000303772464 651001701 /nfs/dbraw/zinc/00/17/01/651001701.db2.gz DPAYXSPERKBYFA-HNNXBMFYSA-N 2 2 290.455 2.555 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@H]1CCCO1 ZINC000883185917 645648328 /nfs/dbraw/zinc/64/83/28/645648328.db2.gz GVCYKOJFWABDAW-CWRNSKLLSA-N 2 2 266.429 2.573 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@H]1CCCO1 ZINC000883185917 645648331 /nfs/dbraw/zinc/64/83/31/645648331.db2.gz GVCYKOJFWABDAW-CWRNSKLLSA-N 2 2 266.429 2.573 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)[C@@H]1CCCO1 ZINC000883194836 645655679 /nfs/dbraw/zinc/65/56/79/645655679.db2.gz DPXNIMLVJKMWDW-HRCADAONSA-N 2 2 298.496 2.527 20 30 CFEDLP C=CCC[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CCCO1 ZINC000883196984 645656917 /nfs/dbraw/zinc/65/69/17/645656917.db2.gz ZUPRMNXQNWBQEI-CVEARBPZSA-N 2 2 289.423 2.987 20 30 CFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CCCO1 ZINC000883234014 645683131 /nfs/dbraw/zinc/68/31/31/645683131.db2.gz UWAZJFRNOOMEDM-JYJNAYRXSA-N 2 2 280.456 2.963 20 30 CFEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CCCO1 ZINC000883234014 645683134 /nfs/dbraw/zinc/68/31/34/645683134.db2.gz UWAZJFRNOOMEDM-JYJNAYRXSA-N 2 2 280.456 2.963 20 30 CFEDLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)c1cccc(C#N)c1O ZINC000924708801 648031416 /nfs/dbraw/zinc/03/14/16/648031416.db2.gz ZUFDENYPVNKNDV-BBRMVZONSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1O ZINC000924708801 648031419 /nfs/dbraw/zinc/03/14/19/648031419.db2.gz ZUFDENYPVNKNDV-BBRMVZONSA-N 2 2 287.407 2.646 20 30 CFEDLP CC[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(C#N)c1O ZINC000924855804 648060953 /nfs/dbraw/zinc/06/09/53/648060953.db2.gz SRFFWRANGKGTJG-OAHLLOKOSA-N 2 2 275.396 2.646 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924983083 648084137 /nfs/dbraw/zinc/08/41/37/648084137.db2.gz AWLZZSVLJKYRDL-CQSZACIVSA-N 2 2 288.439 2.909 20 30 CFEDLP C=CCSCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925591632 648230872 /nfs/dbraw/zinc/23/08/72/648230872.db2.gz RMNDERYKZOLLJV-GXTWGEPZSA-N 2 2 250.411 2.584 20 30 CFEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000925620724 648244033 /nfs/dbraw/zinc/24/40/33/648244033.db2.gz XWHCXLVKASUQIV-DOTOQJQBSA-N 2 2 299.418 2.742 20 30 CFEDLP CSc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1C#N ZINC000925774649 648317299 /nfs/dbraw/zinc/31/72/99/648317299.db2.gz XCWPINAAQNNAFX-BXUZGUMPSA-N 2 2 275.421 2.510 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926344101 648467835 /nfs/dbraw/zinc/46/78/35/648467835.db2.gz URZGCYWLZSTIFV-QZWWFDLISA-N 2 2 278.440 2.574 20 30 CFEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926344101 648467838 /nfs/dbraw/zinc/46/78/38/648467838.db2.gz URZGCYWLZSTIFV-QZWWFDLISA-N 2 2 278.440 2.574 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926490609 648507679 /nfs/dbraw/zinc/50/76/79/648507679.db2.gz PGTQNFBXAFHFER-OAHLLOKOSA-N 2 2 291.826 2.657 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926490609 648507683 /nfs/dbraw/zinc/50/76/83/648507683.db2.gz PGTQNFBXAFHFER-OAHLLOKOSA-N 2 2 291.826 2.657 20 30 CFEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926512606 648515427 /nfs/dbraw/zinc/51/54/27/648515427.db2.gz HXOYPTUPFZSEQN-YHUYYLMFSA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926512606 648515430 /nfs/dbraw/zinc/51/54/30/648515430.db2.gz HXOYPTUPFZSEQN-YHUYYLMFSA-N 2 2 261.413 2.675 20 30 CFEDLP CC(C)CC[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000926623240 648553989 /nfs/dbraw/zinc/55/39/89/648553989.db2.gz CHAXPRCWRSNJJF-UHFFFAOYSA-N 2 2 263.429 2.780 20 30 CFEDLP CC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000926665846 648567064 /nfs/dbraw/zinc/56/70/64/648567064.db2.gz NJHPUMXDRYHXHC-IVMMDQJWSA-N 2 2 287.407 2.645 20 30 CFEDLP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000926665845 648567213 /nfs/dbraw/zinc/56/72/13/648567213.db2.gz NJHPUMXDRYHXHC-BJJXKVORSA-N 2 2 287.407 2.645 20 30 CFEDLP C[NH+](C)CC(C)(C)[NH2+]CCCCC1(C#N)CCC1 ZINC000930683561 649306038 /nfs/dbraw/zinc/30/60/38/649306038.db2.gz GQFUAOIGKJSYLN-UHFFFAOYSA-N 2 2 251.418 2.780 20 30 CFEDLP C=CCC[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267246515 773256241 /nfs/dbraw/zinc/25/62/41/773256241.db2.gz CDJYDBFVOUCVQI-UHFFFAOYSA-N 2 2 289.423 2.635 20 30 CFEDLP C=CCC[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267246515 773256244 /nfs/dbraw/zinc/25/62/44/773256244.db2.gz CDJYDBFVOUCVQI-UHFFFAOYSA-N 2 2 289.423 2.635 20 30 CFEDLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232110649 777442341 /nfs/dbraw/zinc/44/23/41/777442341.db2.gz QTLRHMZELDQOAN-UHFFFAOYSA-N 2 2 265.788 2.595 20 30 CFEDLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232110649 777442347 /nfs/dbraw/zinc/44/23/47/777442347.db2.gz QTLRHMZELDQOAN-UHFFFAOYSA-N 2 2 265.788 2.595 20 30 CFEDLP CCCC[NH+]1CCC([N@H+](C)Cc2cccc(C#N)n2)CC1 ZINC001232927046 777723762 /nfs/dbraw/zinc/72/37/62/777723762.db2.gz NZNCFIXCNTXIGE-UHFFFAOYSA-N 2 2 286.423 2.650 20 30 CFEDLP CCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)n2)CC1 ZINC001232927046 777723767 /nfs/dbraw/zinc/72/37/67/777723767.db2.gz NZNCFIXCNTXIGE-UHFFFAOYSA-N 2 2 286.423 2.650 20 30 CFEDLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001204783962 777861762 /nfs/dbraw/zinc/86/17/62/777861762.db2.gz WPNMKNBEZXMLEP-SFHVURJKSA-N 2 2 292.386 2.543 20 30 CFEDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001204783962 777861771 /nfs/dbraw/zinc/86/17/71/777861771.db2.gz WPNMKNBEZXMLEP-SFHVURJKSA-N 2 2 292.386 2.543 20 30 CFEDLP CCCCCCCC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113601 778386112 /nfs/dbraw/zinc/38/61/12/778386112.db2.gz FFRQSKPFOFHNTG-INIZCTEOSA-N 2 2 268.445 2.801 20 30 CFEDLP CCCCCCCC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113601 778386121 /nfs/dbraw/zinc/38/61/21/778386121.db2.gz FFRQSKPFOFHNTG-INIZCTEOSA-N 2 2 268.445 2.801 20 30 CFEDLP C=C(C)COc1ccccc1C[N@@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710818 778543436 /nfs/dbraw/zinc/54/34/36/778543436.db2.gz GMEUQIAECCRCKZ-UHFFFAOYSA-N 2 2 286.419 2.827 20 30 CFEDLP C=C(C)COc1ccccc1C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235710818 778543439 /nfs/dbraw/zinc/54/34/39/778543439.db2.gz GMEUQIAECCRCKZ-UHFFFAOYSA-N 2 2 286.419 2.827 20 30 CFEDLP C=CCCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235778275 778557617 /nfs/dbraw/zinc/55/76/17/778557617.db2.gz WMLAYWGRPCWUIA-HOTGVXAUSA-N 2 2 296.455 2.725 20 30 CFEDLP C=CCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H](C(=O)OC)C1 ZINC001235778275 778557620 /nfs/dbraw/zinc/55/76/20/778557620.db2.gz WMLAYWGRPCWUIA-HOTGVXAUSA-N 2 2 296.455 2.725 20 30 CFEDLP C=CCOc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235892292 778592800 /nfs/dbraw/zinc/59/28/00/778592800.db2.gz OLIAYORTSDPJPO-DZGCQCFKSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CCOc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235892292 778592801 /nfs/dbraw/zinc/59/28/01/778592801.db2.gz OLIAYORTSDPJPO-DZGCQCFKSA-N 2 2 260.381 2.563 20 30 CFEDLP C=CC[NH2+]CC[N@@H+](CCCCCCO)Cc1ccccc1 ZINC001236313916 778772928 /nfs/dbraw/zinc/77/29/28/778772928.db2.gz DLYYSRVQGIYJCV-UHFFFAOYSA-N 2 2 290.451 2.817 20 30 CFEDLP C=CC[NH2+]CC[N@H+](CCCCCCO)Cc1ccccc1 ZINC001236313916 778772930 /nfs/dbraw/zinc/77/29/30/778772930.db2.gz DLYYSRVQGIYJCV-UHFFFAOYSA-N 2 2 290.451 2.817 20 30 CFEDLP N#CCC[N@H+](Cc1cccc2c[nH+]cn21)C1CCCC1 ZINC001238114391 779255663 /nfs/dbraw/zinc/25/56/63/779255663.db2.gz UCVPELIVVXPDIU-UHFFFAOYSA-N 2 2 268.364 2.993 20 30 CFEDLP N#CCC[N@@H+](Cc1cccc2c[nH+]cn21)C1CCCC1 ZINC001238114391 779255667 /nfs/dbraw/zinc/25/56/67/779255667.db2.gz UCVPELIVVXPDIU-UHFFFAOYSA-N 2 2 268.364 2.993 20 30 CFEDLP C[N@H+](Cc1ccc(Cl)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001238195468 779276011 /nfs/dbraw/zinc/27/60/11/779276011.db2.gz DPETWJIHWUXMRK-UHFFFAOYSA-N 2 2 277.799 2.738 20 30 CFEDLP C[N@@H+](Cc1ccc(Cl)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001238195468 779276012 /nfs/dbraw/zinc/27/60/12/779276012.db2.gz DPETWJIHWUXMRK-UHFFFAOYSA-N 2 2 277.799 2.738 20 30 CFEDLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(C#N)c1 ZINC001238198585 779278682 /nfs/dbraw/zinc/27/86/82/779278682.db2.gz LSEFMVBAEHVAET-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)c(C#N)c1 ZINC001238198585 779278686 /nfs/dbraw/zinc/27/86/86/779278686.db2.gz LSEFMVBAEHVAET-UHFFFAOYSA-N 2 2 288.782 2.930 20 30 CFEDLP Cc1cc2[nH+]ccn2cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240351734 780103306 /nfs/dbraw/zinc/10/33/06/780103306.db2.gz XOSRFCSNFRAUBU-UHFFFAOYSA-N 2 2 288.354 2.868 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000594521306 349441085 /nfs/dbraw/zinc/44/10/85/349441085.db2.gz TYYCCIDUYKMTOV-UGUYLWEFSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000594521306 349441088 /nfs/dbraw/zinc/44/10/88/349441088.db2.gz TYYCCIDUYKMTOV-UGUYLWEFSA-N 2 2 261.413 2.675 20 30 CFEDLP N#CC1(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000594921672 349508916 /nfs/dbraw/zinc/50/89/16/349508916.db2.gz QLOHXDQJPOXSHT-MRXNPFEDSA-N 2 2 281.403 2.568 20 30 CFEDLP N#CC1(c2ccc(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000594921672 349508920 /nfs/dbraw/zinc/50/89/20/349508920.db2.gz QLOHXDQJPOXSHT-MRXNPFEDSA-N 2 2 281.403 2.568 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594956555 349528213 /nfs/dbraw/zinc/52/82/13/349528213.db2.gz LHWZJMOVNVCYKM-NPCAHTBFSA-N 2 2 263.429 2.921 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000594956555 349528218 /nfs/dbraw/zinc/52/82/18/349528218.db2.gz LHWZJMOVNVCYKM-NPCAHTBFSA-N 2 2 263.429 2.921 20 30 CFEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000594956527 349528363 /nfs/dbraw/zinc/52/83/63/349528363.db2.gz KVKOCMHMPSDTGC-ZDUSSCGKSA-N 2 2 251.418 2.779 20 30 CFEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000594956527 349528366 /nfs/dbraw/zinc/52/83/66/349528366.db2.gz KVKOCMHMPSDTGC-ZDUSSCGKSA-N 2 2 251.418 2.779 20 30 CFEDLP C=CCCSCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000594960884 349529990 /nfs/dbraw/zinc/52/99/90/349529990.db2.gz ZLDURKRXMOSCQY-OLZOCXBDSA-N 2 2 254.443 2.511 20 30 CFEDLP C=CCCSCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000594960884 349529995 /nfs/dbraw/zinc/52/99/95/349529995.db2.gz ZLDURKRXMOSCQY-OLZOCXBDSA-N 2 2 254.443 2.511 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595009210 349547506 /nfs/dbraw/zinc/54/75/06/349547506.db2.gz BEACLBCTFVDKPM-AWEZNQCLSA-N 2 2 296.455 2.594 20 30 CFEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595505290 349644143 /nfs/dbraw/zinc/64/41/43/349644143.db2.gz RMGSGSFUUFYDLS-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595505290 349644144 /nfs/dbraw/zinc/64/41/44/349644144.db2.gz RMGSGSFUUFYDLS-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595505290 349644145 /nfs/dbraw/zinc/64/41/45/349644145.db2.gz RMGSGSFUUFYDLS-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595505290 349644147 /nfs/dbraw/zinc/64/41/47/349644147.db2.gz RMGSGSFUUFYDLS-QGZVFWFLSA-N 2 2 287.382 2.615 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1(C[NH3+])CCC1 ZINC000595894986 349762922 /nfs/dbraw/zinc/76/29/22/349762922.db2.gz ABJMBVINZPKDOQ-UHFFFAOYSA-N 2 2 297.324 2.890 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1(C[NH3+])CCC1 ZINC000595894986 349762924 /nfs/dbraw/zinc/76/29/24/349762924.db2.gz ABJMBVINZPKDOQ-UHFFFAOYSA-N 2 2 297.324 2.890 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000294999625 199292513 /nfs/dbraw/zinc/29/25/13/199292513.db2.gz LYDKNVXEHNMQGO-CYBMUJFWSA-N 2 2 291.464 2.628 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000294999625 199292515 /nfs/dbraw/zinc/29/25/15/199292515.db2.gz LYDKNVXEHNMQGO-CYBMUJFWSA-N 2 2 291.464 2.628 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000091509304 347591089 /nfs/dbraw/zinc/59/10/89/347591089.db2.gz RBQYKDFSXQMUTO-HOTGVXAUSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCCC[C@H](C)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000091509304 347591091 /nfs/dbraw/zinc/59/10/91/347591091.db2.gz RBQYKDFSXQMUTO-HOTGVXAUSA-N 2 2 280.456 2.916 20 30 CFEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000328388059 348440574 /nfs/dbraw/zinc/44/05/74/348440574.db2.gz XBHGLYCDPVVPJX-XJKSGUPXSA-N 2 2 257.381 2.693 20 30 CFEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000328388059 348440577 /nfs/dbraw/zinc/44/05/77/348440577.db2.gz XBHGLYCDPVVPJX-XJKSGUPXSA-N 2 2 257.381 2.693 20 30 CFEDLP CC1(C#N)CCC([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000590645211 348919607 /nfs/dbraw/zinc/91/96/07/348919607.db2.gz CHFJKKFECNXHEF-HWOWSKLDSA-N 2 2 261.413 2.533 20 30 CFEDLP CC1(C#N)CCC([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000590645211 348919608 /nfs/dbraw/zinc/91/96/08/348919608.db2.gz CHFJKKFECNXHEF-HWOWSKLDSA-N 2 2 261.413 2.533 20 30 CFEDLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1F ZINC000591570782 349030262 /nfs/dbraw/zinc/03/02/62/349030262.db2.gz NPAZKNXTWDBIPX-UGSOOPFHSA-N 2 2 297.377 2.745 20 30 CFEDLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591580656 349033014 /nfs/dbraw/zinc/03/30/14/349033014.db2.gz ILJFCGAAKCVPRV-MLGOLLRUSA-N 2 2 257.381 2.523 20 30 CFEDLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCC[C@H](C#N)C3)cn21 ZINC000592402557 349116961 /nfs/dbraw/zinc/11/69/61/349116961.db2.gz JCNJSCRJDBJUDK-GJZGRUSLSA-N 2 2 282.391 2.857 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C#N)cn1 ZINC000593979630 349345132 /nfs/dbraw/zinc/34/51/32/349345132.db2.gz ZTSFQBXBDZECBY-UHFFFAOYSA-N 2 2 297.406 2.624 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000593979630 349345135 /nfs/dbraw/zinc/34/51/35/349345135.db2.gz ZTSFQBXBDZECBY-UHFFFAOYSA-N 2 2 297.406 2.624 20 30 CFEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593693403 349310203 /nfs/dbraw/zinc/31/02/03/349310203.db2.gz XRNMHKJAMCULDZ-CQSZACIVSA-N 2 2 283.419 2.911 20 30 CFEDLP CC1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593692826 349310399 /nfs/dbraw/zinc/31/03/99/349310399.db2.gz KRHCWXIBXALVHZ-UHFFFAOYSA-N 2 2 283.419 2.912 20 30 CFEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CC3(F)CC3)CC2)c1 ZINC000593692376 349310454 /nfs/dbraw/zinc/31/04/54/349310454.db2.gz DWUMCCDJCQXBHZ-UHFFFAOYSA-N 2 2 287.382 2.614 20 30 CFEDLP C[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593702290 349313192 /nfs/dbraw/zinc/31/31/92/349313192.db2.gz LBOVKESWLTZDSK-PBHICJAKSA-N 2 2 283.419 2.768 20 30 CFEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594495695 349430186 /nfs/dbraw/zinc/43/01/86/349430186.db2.gz SKNKZFKDRYGDIU-AWEZNQCLSA-N 2 2 282.391 2.863 20 30 CFEDLP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC1C[NH+](C)C1 ZINC000597205319 350055354 /nfs/dbraw/zinc/05/53/54/350055354.db2.gz IQORCSMKWVOOGL-UHFFFAOYSA-N 2 2 297.324 2.570 20 30 CFEDLP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC1C[NH+](C)C1 ZINC000597205319 350055357 /nfs/dbraw/zinc/05/53/57/350055357.db2.gz IQORCSMKWVOOGL-UHFFFAOYSA-N 2 2 297.324 2.570 20 30 CFEDLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[NH2+]1 ZINC000600708842 350599408 /nfs/dbraw/zinc/59/94/08/350599408.db2.gz HOQAPXCTFKAXPV-ISTRZQFTSA-N 2 2 269.392 2.666 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](C)CCC#N ZINC000602515385 350910902 /nfs/dbraw/zinc/91/09/02/350910902.db2.gz XCGMKHDCKPSCKV-CYBMUJFWSA-N 2 2 270.380 2.874 20 30 CFEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[NH+]1CCCCCC1 ZINC000602513458 350911350 /nfs/dbraw/zinc/91/13/50/350911350.db2.gz YKOPVIPEJQBTEU-MRXNPFEDSA-N 2 2 293.455 2.551 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000602516409 350911821 /nfs/dbraw/zinc/91/18/21/350911821.db2.gz LBDHUPWSDCUPES-HNNXBMFYSA-N 2 2 286.423 2.575 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000602645180 350959834 /nfs/dbraw/zinc/95/98/34/350959834.db2.gz VXSIAQCNOLCSLC-KBPBESRZSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000602645180 350959838 /nfs/dbraw/zinc/95/98/38/350959838.db2.gz VXSIAQCNOLCSLC-KBPBESRZSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000602645183 350960070 /nfs/dbraw/zinc/96/00/70/350960070.db2.gz VXSIAQCNOLCSLC-ZIAGYGMSSA-N 2 2 251.418 2.636 20 30 CFEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000602645183 350960074 /nfs/dbraw/zinc/96/00/74/350960074.db2.gz VXSIAQCNOLCSLC-ZIAGYGMSSA-N 2 2 251.418 2.636 20 30 CFEDLP Cc1cccc2[nH+]c(CC[NH2+]C[C@H](C)CCC#N)cn21 ZINC000602699778 350986062 /nfs/dbraw/zinc/98/60/62/350986062.db2.gz OIJSRYDTWGXFQP-CYBMUJFWSA-N 2 2 270.380 2.715 20 30 CFEDLP Cc1cccc2[nH+]c(CC[NH2+]C3CCC(C#N)CC3)cn21 ZINC000602700626 350986951 /nfs/dbraw/zinc/98/69/51/350986951.db2.gz UZEZFORAURYZQK-UHFFFAOYSA-N 2 2 282.391 2.857 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000602704918 350989245 /nfs/dbraw/zinc/98/92/45/350989245.db2.gz HXKRCRAKXONAIM-LSDHHAIUSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000602704918 350989247 /nfs/dbraw/zinc/98/92/47/350989247.db2.gz HXKRCRAKXONAIM-LSDHHAIUSA-N 2 2 293.455 2.548 20 30 CFEDLP C[C@@H](CCC#N)C[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000602714699 350995996 /nfs/dbraw/zinc/99/59/96/350995996.db2.gz BZVPKWUPBCDFGQ-GJZGRUSLSA-N 2 2 251.418 2.636 20 30 CFEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611268146 351661060 /nfs/dbraw/zinc/66/10/60/351661060.db2.gz UCPUUSWSPCCLNU-CQSZACIVSA-N 2 2 260.385 2.850 20 30 CFEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000611268146 351661064 /nfs/dbraw/zinc/66/10/64/351661064.db2.gz UCPUUSWSPCCLNU-CQSZACIVSA-N 2 2 260.385 2.850 20 30 CFEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC=CC3)CC2)cc1 ZINC000611438606 351690241 /nfs/dbraw/zinc/69/02/41/351690241.db2.gz FXXQTXPKQKBFJL-UHFFFAOYSA-N 2 2 281.403 2.831 20 30 CFEDLP C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000612165453 351783604 /nfs/dbraw/zinc/78/36/04/351783604.db2.gz MSPXAVFQJGRNII-KRWDZBQOSA-N 2 2 280.375 2.998 20 30 CFEDLP C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000612165453 351783608 /nfs/dbraw/zinc/78/36/08/351783608.db2.gz MSPXAVFQJGRNII-KRWDZBQOSA-N 2 2 280.375 2.998 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000177913448 189079017 /nfs/dbraw/zinc/07/90/17/189079017.db2.gz CRNGVHXKQVPUFE-ZDUSSCGKSA-N 2 2 288.391 2.716 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000487293270 541436346 /nfs/dbraw/zinc/43/63/46/541436346.db2.gz YTZOOCPKAQWNEM-UHFFFAOYSA-N 2 2 277.437 2.761 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1C#N ZINC000443998550 241104544 /nfs/dbraw/zinc/10/45/44/241104544.db2.gz VFLLBMHWSIUEMF-BBRMVZONSA-N 2 2 269.392 2.582 20 30 CFEDLP Cc1cc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)ccc1C#N ZINC000443998550 241104547 /nfs/dbraw/zinc/10/45/47/241104547.db2.gz VFLLBMHWSIUEMF-BBRMVZONSA-N 2 2 269.392 2.582 20 30 CFEDLP CC[NH+]1CCC([N@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC000042616562 372939106 /nfs/dbraw/zinc/93/91/06/372939106.db2.gz WVFZQMLQHNXILE-UHFFFAOYSA-N 2 2 275.371 2.613 20 30 CFEDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC000042616562 372939113 /nfs/dbraw/zinc/93/91/13/372939113.db2.gz WVFZQMLQHNXILE-UHFFFAOYSA-N 2 2 275.371 2.613 20 30 CFEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)C[NH+]1CCCC1 ZINC000062072394 373747566 /nfs/dbraw/zinc/74/75/66/373747566.db2.gz MZJFHYUWSBVRNR-CYBMUJFWSA-N 2 2 275.371 2.519 20 30 CFEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)C[NH+]1CCCC1 ZINC000062072392 373747652 /nfs/dbraw/zinc/74/76/52/373747652.db2.gz MZJFHYUWSBVRNR-ZDUSSCGKSA-N 2 2 275.371 2.519 20 30 CFEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000081568052 374706094 /nfs/dbraw/zinc/70/60/94/374706094.db2.gz BHKCYTCZZZRAGV-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1 ZINC000081568052 374706101 /nfs/dbraw/zinc/70/61/01/374706101.db2.gz BHKCYTCZZZRAGV-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000081568052 374706103 /nfs/dbraw/zinc/70/61/03/374706103.db2.gz BHKCYTCZZZRAGV-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000081568052 374706107 /nfs/dbraw/zinc/70/61/07/374706107.db2.gz BHKCYTCZZZRAGV-OAHLLOKOSA-N 2 2 289.398 2.861 20 30 CFEDLP N#Cc1csc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683825 375293778 /nfs/dbraw/zinc/29/37/78/375293778.db2.gz JLDKZZWKCAYTFP-AWEZNQCLSA-N 2 2 289.448 2.928 20 30 CFEDLP N#Cc1csc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683825 375293787 /nfs/dbraw/zinc/29/37/87/375293787.db2.gz JLDKZZWKCAYTFP-AWEZNQCLSA-N 2 2 289.448 2.928 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC000121449516 376834153 /nfs/dbraw/zinc/83/41/53/376834153.db2.gz XXRHHRDHSPPSFO-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC000121449516 376834156 /nfs/dbraw/zinc/83/41/56/376834156.db2.gz XXRHHRDHSPPSFO-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1C ZINC000121449516 376834161 /nfs/dbraw/zinc/83/41/61/376834161.db2.gz XXRHHRDHSPPSFO-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1C ZINC000121449516 376834166 /nfs/dbraw/zinc/83/41/66/376834166.db2.gz XXRHHRDHSPPSFO-SWLSCSKDSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@@H+]1C ZINC000121449682 376834524 /nfs/dbraw/zinc/83/45/24/376834524.db2.gz XXRHHRDHSPPSFO-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC000121449682 376834529 /nfs/dbraw/zinc/83/45/29/376834529.db2.gz XXRHHRDHSPPSFO-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1C ZINC000121449682 376834537 /nfs/dbraw/zinc/83/45/37/376834537.db2.gz XXRHHRDHSPPSFO-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC[NH+]1C ZINC000121449682 376834540 /nfs/dbraw/zinc/83/45/40/376834540.db2.gz XXRHHRDHSPPSFO-DOMZBBRYSA-N 2 2 275.371 2.612 20 30 CFEDLP N#Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000135679759 378157066 /nfs/dbraw/zinc/15/70/66/378157066.db2.gz BLAPSWYKESUVLT-UHFFFAOYSA-N 2 2 298.415 2.773 20 30 CFEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173398206 379733757 /nfs/dbraw/zinc/73/37/57/379733757.db2.gz KBEUOXKITNJQFX-ZDUSSCGKSA-N 2 2 289.379 2.896 20 30 CFEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279028679 194256161 /nfs/dbraw/zinc/25/61/61/194256161.db2.gz BFAQCTBQXZEOQM-UHFFFAOYSA-N 2 2 296.418 2.612 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181113129 380742998 /nfs/dbraw/zinc/74/29/98/380742998.db2.gz RNVRTXXLYIAXNK-CQSZACIVSA-N 2 2 268.364 2.838 20 30 CFEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181113129 380743005 /nfs/dbraw/zinc/74/30/05/380743005.db2.gz RNVRTXXLYIAXNK-CQSZACIVSA-N 2 2 268.364 2.838 20 30 CFEDLP N#Cc1cccc(C2([NH2+]Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000341228867 380845731 /nfs/dbraw/zinc/84/57/31/380845731.db2.gz UUGZWVIDQCPVHW-UHFFFAOYSA-N 2 2 288.354 2.985 20 30 CFEDLP C=CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000346992498 380856980 /nfs/dbraw/zinc/85/69/80/380856980.db2.gz UHQDTYUZRSLQFU-WBVHZDCISA-N 2 2 273.424 2.848 20 30 CFEDLP C=CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000346992498 380856990 /nfs/dbraw/zinc/85/69/90/380856990.db2.gz UHQDTYUZRSLQFU-WBVHZDCISA-N 2 2 273.424 2.848 20 30 CFEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404180756 380903331 /nfs/dbraw/zinc/90/33/31/380903331.db2.gz ZVPTVVQCRJZQCZ-UHFFFAOYSA-N 2 2 269.323 2.733 20 30 CFEDLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358564889 380932964 /nfs/dbraw/zinc/93/29/64/380932964.db2.gz XXFIOUWWMMHXCO-VXGBXAGGSA-N 2 2 263.360 2.688 20 30 CFEDLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc(C#N)c1 ZINC000368501084 381047203 /nfs/dbraw/zinc/04/72/03/381047203.db2.gz ZTIPIUSBVZWIJD-CYBMUJFWSA-N 2 2 280.375 2.942 20 30 CFEDLP CC#CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000354177875 381120651 /nfs/dbraw/zinc/12/06/51/381120651.db2.gz IWHWHNPFJMNFJX-DOTOQJQBSA-N 2 2 256.393 2.510 20 30 CFEDLP CC#CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000354177875 381120655 /nfs/dbraw/zinc/12/06/55/381120655.db2.gz IWHWHNPFJMNFJX-DOTOQJQBSA-N 2 2 256.393 2.510 20 30 CFEDLP CC#CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000354177877 381120893 /nfs/dbraw/zinc/12/08/93/381120893.db2.gz IWHWHNPFJMNFJX-RDJZCZTQSA-N 2 2 256.393 2.510 20 30 CFEDLP CC#CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000354177877 381120900 /nfs/dbraw/zinc/12/09/00/381120900.db2.gz IWHWHNPFJMNFJX-RDJZCZTQSA-N 2 2 256.393 2.510 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(C#N)o1 ZINC000289977293 381243717 /nfs/dbraw/zinc/24/37/17/381243717.db2.gz ZNHJWJSTSQWZNC-UHFFFAOYSA-N 2 2 287.363 2.698 20 30 CFEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(C#N)o1 ZINC000289977293 381243728 /nfs/dbraw/zinc/24/37/28/381243728.db2.gz ZNHJWJSTSQWZNC-UHFFFAOYSA-N 2 2 287.363 2.698 20 30 CFEDLP C[NH+](CCC[N@@H+](C)Cc1ccc(C#N)o1)Cc1ccco1 ZINC000289977293 381243745 /nfs/dbraw/zinc/24/37/45/381243745.db2.gz ZNHJWJSTSQWZNC-UHFFFAOYSA-N 2 2 287.363 2.698 20 30 CFEDLP CC(C)(CCC#N)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000342288438 381250252 /nfs/dbraw/zinc/25/02/52/381250252.db2.gz BTOQQGARRNDUNY-UHFFFAOYSA-N 2 2 256.353 2.754 20 30 CFEDLP N#Cc1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)ccc1F ZINC000370434480 381447154 /nfs/dbraw/zinc/44/71/54/381447154.db2.gz UUCVBXYOEMHTSK-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)ccc1F ZINC000370434480 381447158 /nfs/dbraw/zinc/44/71/58/381447158.db2.gz UUCVBXYOEMHTSK-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1F ZINC000370434480 381447161 /nfs/dbraw/zinc/44/71/61/381447161.db2.gz UUCVBXYOEMHTSK-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP N#Cc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1F ZINC000370434480 381447165 /nfs/dbraw/zinc/44/71/65/381447165.db2.gz UUCVBXYOEMHTSK-JFIYKMOQSA-N 2 2 299.393 2.613 20 30 CFEDLP C=CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348189441 381469617 /nfs/dbraw/zinc/46/96/17/381469617.db2.gz SPDSMOACZNCMMY-CYBMUJFWSA-N 2 2 298.390 2.912 20 30 CFEDLP C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348189441 381469622 /nfs/dbraw/zinc/46/96/22/381469622.db2.gz SPDSMOACZNCMMY-CYBMUJFWSA-N 2 2 298.390 2.912 20 30 CFEDLP C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348309277 381496954 /nfs/dbraw/zinc/49/69/54/381496954.db2.gz FMJWGWUGQWDXFR-ZDUSSCGKSA-N 2 2 298.390 2.912 20 30 CFEDLP C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348309277 381496960 /nfs/dbraw/zinc/49/69/60/381496960.db2.gz FMJWGWUGQWDXFR-ZDUSSCGKSA-N 2 2 298.390 2.912 20 30 CFEDLP C=CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccco1 ZINC000414127876 381562358 /nfs/dbraw/zinc/56/23/58/381562358.db2.gz QPWANWYCPSVWNH-AWEZNQCLSA-N 2 2 259.353 2.853 20 30 CFEDLP C=CC(C)(C)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000414208518 381570521 /nfs/dbraw/zinc/57/05/21/381570521.db2.gz LTJGPUSSLBRGCH-UHFFFAOYSA-N 2 2 294.362 2.835 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000359864661 381647043 /nfs/dbraw/zinc/64/70/43/381647043.db2.gz BMNGVKOHQNXPCE-ZOBUZTSGSA-N 2 2 256.393 2.508 20 30 CFEDLP C#CC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000359864661 381647050 /nfs/dbraw/zinc/64/70/50/381647050.db2.gz BMNGVKOHQNXPCE-ZOBUZTSGSA-N 2 2 256.393 2.508 20 30 CFEDLP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(C#N)CC1 ZINC000343321684 381674451 /nfs/dbraw/zinc/67/44/51/381674451.db2.gz OIMXEYAWSFCCPE-QGZVFWFLSA-N 2 2 283.419 2.744 20 30 CFEDLP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(C#N)CC1 ZINC000343321684 381674459 /nfs/dbraw/zinc/67/44/59/381674459.db2.gz OIMXEYAWSFCCPE-QGZVFWFLSA-N 2 2 283.419 2.744 20 30 CFEDLP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(C#N)CC1 ZINC000343321684 381674464 /nfs/dbraw/zinc/67/44/64/381674464.db2.gz OIMXEYAWSFCCPE-QGZVFWFLSA-N 2 2 283.419 2.744 20 30 CFEDLP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(C#N)CC1 ZINC000343321684 381674472 /nfs/dbraw/zinc/67/44/72/381674472.db2.gz OIMXEYAWSFCCPE-QGZVFWFLSA-N 2 2 283.419 2.744 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000361829390 381866331 /nfs/dbraw/zinc/86/63/31/381866331.db2.gz HZUWMLRSYLGPBX-SFHVURJKSA-N 2 2 278.355 2.586 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000361829390 381866338 /nfs/dbraw/zinc/86/63/38/381866338.db2.gz HZUWMLRSYLGPBX-SFHVURJKSA-N 2 2 278.355 2.586 20 30 CFEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000349805364 381990299 /nfs/dbraw/zinc/99/02/99/381990299.db2.gz VMKYSKWNXAVULH-GXTWGEPZSA-N 2 2 284.338 2.793 20 30 CFEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC000293719337 382248942 /nfs/dbraw/zinc/24/89/42/382248942.db2.gz TWJOPYGVCHZACR-OAHLLOKOSA-N 2 2 275.421 2.537 20 30 CFEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC000293719337 382248946 /nfs/dbraw/zinc/24/89/46/382248946.db2.gz TWJOPYGVCHZACR-OAHLLOKOSA-N 2 2 275.421 2.537 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC000293719337 382248952 /nfs/dbraw/zinc/24/89/52/382248952.db2.gz TWJOPYGVCHZACR-OAHLLOKOSA-N 2 2 275.421 2.537 20 30 CFEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC000293719337 382248955 /nfs/dbraw/zinc/24/89/55/382248955.db2.gz TWJOPYGVCHZACR-OAHLLOKOSA-N 2 2 275.421 2.537 20 30 CFEDLP [NH2+]=C(NCc1ccccc1-n1cc[nH+]c1)Nc1ccccc1 ZINC000303266328 382354392 /nfs/dbraw/zinc/35/43/92/382354392.db2.gz VTADSXARJFELED-UHFFFAOYSA-N 2 2 291.358 2.799 20 30 CFEDLP C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346538468 382402161 /nfs/dbraw/zinc/40/21/61/382402161.db2.gz SNRKKZAQBDFHMZ-CYBMUJFWSA-N 2 2 266.348 2.827 20 30 CFEDLP N#CCC[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000309987326 382492693 /nfs/dbraw/zinc/49/26/93/382492693.db2.gz YGSXUTXKKKZPST-QGZVFWFLSA-N 2 2 271.408 2.792 20 30 CFEDLP N#CCC[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309987326 382492695 /nfs/dbraw/zinc/49/26/95/382492695.db2.gz YGSXUTXKKKZPST-QGZVFWFLSA-N 2 2 271.408 2.792 20 30 CFEDLP C=CCC[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915851 382497332 /nfs/dbraw/zinc/49/73/32/382497332.db2.gz GDBNXLVTEIPSOK-UHFFFAOYSA-N 2 2 274.408 2.527 20 30 CFEDLP C=CCC[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420915851 382497340 /nfs/dbraw/zinc/49/73/40/382497340.db2.gz GDBNXLVTEIPSOK-UHFFFAOYSA-N 2 2 274.408 2.527 20 30 CFEDLP CC[C@H](CC#N)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000358281645 382546127 /nfs/dbraw/zinc/54/61/27/382546127.db2.gz RRSOYPFDDNSRGB-LLVKDONJSA-N 2 2 260.366 2.716 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000367589972 382576570 /nfs/dbraw/zinc/57/65/70/382576570.db2.gz RSWOFGOXFZURSJ-PMPSAXMXSA-N 2 2 290.407 2.740 20 30 CFEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000367589972 382576579 /nfs/dbraw/zinc/57/65/79/382576579.db2.gz RSWOFGOXFZURSJ-PMPSAXMXSA-N 2 2 290.407 2.740 20 30 CFEDLP C=C(CC)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000346961986 382587971 /nfs/dbraw/zinc/58/79/71/382587971.db2.gz AIXCJUXAZWYTFB-NVXWUHKLSA-N 2 2 273.424 2.848 20 30 CFEDLP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000346961986 382587978 /nfs/dbraw/zinc/58/79/78/382587978.db2.gz AIXCJUXAZWYTFB-NVXWUHKLSA-N 2 2 273.424 2.848 20 30 CFEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C[C@H]1C ZINC000353748875 382624349 /nfs/dbraw/zinc/62/43/49/382624349.db2.gz SLUNNFREJKZMLT-OLZOCXBDSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)s2)C[C@H]1C ZINC000353748875 382624352 /nfs/dbraw/zinc/62/43/52/382624352.db2.gz SLUNNFREJKZMLT-OLZOCXBDSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)s2)C[C@H]1C ZINC000353748875 382624353 /nfs/dbraw/zinc/62/43/53/382624353.db2.gz SLUNNFREJKZMLT-OLZOCXBDSA-N 2 2 277.437 2.924 20 30 CFEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C[C@H]1C ZINC000353748875 382624356 /nfs/dbraw/zinc/62/43/56/382624356.db2.gz SLUNNFREJKZMLT-OLZOCXBDSA-N 2 2 277.437 2.924 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000442711535 382948109 /nfs/dbraw/zinc/94/81/09/382948109.db2.gz SAIFBSJIUOBOJS-SJORKVTESA-N 2 2 280.375 2.713 20 30 CFEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000578589553 382933819 /nfs/dbraw/zinc/93/38/19/382933819.db2.gz ZFEBUTRNFVXQAV-OAHLLOKOSA-N 2 2 293.455 2.501 20 30 CFEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000578589553 382933821 /nfs/dbraw/zinc/93/38/21/382933821.db2.gz ZFEBUTRNFVXQAV-OAHLLOKOSA-N 2 2 293.455 2.501 20 30 CFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000544599994 382976042 /nfs/dbraw/zinc/97/60/42/382976042.db2.gz VHLXGCHVPYOBTQ-YCPHGPKFSA-N 2 2 263.429 2.779 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245587995 383011818 /nfs/dbraw/zinc/01/18/18/383011818.db2.gz KFDCTOJWCNYCPT-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1n1cc[nH+]c1 ZINC000245587995 383011825 /nfs/dbraw/zinc/01/18/25/383011825.db2.gz KFDCTOJWCNYCPT-SUMWQHHRSA-N 2 2 298.365 2.977 20 30 CFEDLP C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247559120 383184474 /nfs/dbraw/zinc/18/44/74/383184474.db2.gz KTVRCBOSQCGQOK-WMLDXEAASA-N 2 2 280.375 2.838 20 30 CFEDLP C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000247559120 383184476 /nfs/dbraw/zinc/18/44/76/383184476.db2.gz KTVRCBOSQCGQOK-WMLDXEAASA-N 2 2 280.375 2.838 20 30 CFEDLP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]cc1C#N)c1ccco1 ZINC000425213269 383341592 /nfs/dbraw/zinc/34/15/92/383341592.db2.gz GPXMFEQNUXPFGU-MRXNPFEDSA-N 2 2 298.390 2.772 20 30 CFEDLP C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000248832967 383295953 /nfs/dbraw/zinc/29/59/53/383295953.db2.gz ITWXGVFCVZMEHG-SJLPKXTDSA-N 2 2 279.387 2.818 20 30 CFEDLP CC(C)[NH+](CCC[NH2+]C[C@H](C#N)CCC#N)C(C)C ZINC000567683169 383302022 /nfs/dbraw/zinc/30/20/22/383302022.db2.gz JBMIIUKYAAGNLF-HNNXBMFYSA-N 2 2 264.417 2.528 20 30 CFEDLP Cc1cc(N(C)CCC[N@H+](C)Cc2ccco2)c(C#N)c[nH+]1 ZINC000425253797 383350752 /nfs/dbraw/zinc/35/07/52/383350752.db2.gz LPYAKSBKAPBROJ-UHFFFAOYSA-N 2 2 298.390 2.813 20 30 CFEDLP Cc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)c(C#N)c[nH+]1 ZINC000425253797 383350758 /nfs/dbraw/zinc/35/07/58/383350758.db2.gz LPYAKSBKAPBROJ-UHFFFAOYSA-N 2 2 298.390 2.813 20 30 CFEDLP CC[C@@H](C)[NH2+][C@@H](CNc1cc(C)[nH+]cc1C#N)c1ccco1 ZINC000425255901 383351166 /nfs/dbraw/zinc/35/11/66/383351166.db2.gz QNAYAQDZGFQJMT-WBMJQRKESA-N 2 2 298.390 2.818 20 30 CFEDLP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)ccc1C#N ZINC000527807698 383471633 /nfs/dbraw/zinc/47/16/33/383471633.db2.gz ICQSZWGVGLPFHF-GOSISDBHSA-N 2 2 283.419 2.973 20 30 CFEDLP Cc1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)ccc1C#N ZINC000527807698 383471636 /nfs/dbraw/zinc/47/16/36/383471636.db2.gz ICQSZWGVGLPFHF-GOSISDBHSA-N 2 2 283.419 2.973 20 30 CFEDLP C=C(CC)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434739694 383771485 /nfs/dbraw/zinc/77/14/85/383771485.db2.gz WVMBSLPIJAGONG-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(CC)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434739694 383771486 /nfs/dbraw/zinc/77/14/86/383771486.db2.gz WVMBSLPIJAGONG-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(CC)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434739694 383771488 /nfs/dbraw/zinc/77/14/88/383771488.db2.gz WVMBSLPIJAGONG-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C=C(CC)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434739694 383771489 /nfs/dbraw/zinc/77/14/89/383771489.db2.gz WVMBSLPIJAGONG-IRXDYDNUSA-N 2 2 273.424 2.972 20 30 CFEDLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCC#N)CC1 ZINC000573677301 383971083 /nfs/dbraw/zinc/97/10/83/383971083.db2.gz WOWNPNUNGXUEHB-AWEZNQCLSA-N 2 2 257.381 2.715 20 30 CFEDLP Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000574447968 384095530 /nfs/dbraw/zinc/09/55/30/384095530.db2.gz VWEQPBXUYIGERB-UHFFFAOYSA-N 2 2 286.423 2.818 20 30 CFEDLP Cc1cc(N2CCC(C[N@H+](C)C(C)C)CC2)c(C#N)c[nH+]1 ZINC000574447968 384095536 /nfs/dbraw/zinc/09/55/36/384095536.db2.gz VWEQPBXUYIGERB-UHFFFAOYSA-N 2 2 286.423 2.818 20 30 CFEDLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000278253500 384508880 /nfs/dbraw/zinc/50/88/80/384508880.db2.gz MUFPGADSBPWWFW-BBRMVZONSA-N 2 2 268.364 2.884 20 30 CFEDLP COc1ccc(C[NH2+]CCc2cc[nH+]cc2C)cc1C#N ZINC000270034743 384950899 /nfs/dbraw/zinc/95/08/99/384950899.db2.gz YXVAJVBMUDAGHY-UHFFFAOYSA-N 2 2 281.359 2.603 20 30 CFEDLP C=CC[NH+]1CCC(Nc2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000645164860 385220631 /nfs/dbraw/zinc/22/06/31/385220631.db2.gz SPFOAHFVLNUIIA-UHFFFAOYSA-N 2 2 285.395 2.637 20 30 CFEDLP C=CCOc1cccc(C[N@@H+](C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000639398506 385517960 /nfs/dbraw/zinc/51/79/60/385517960.db2.gz QCFACKQDQDCWGR-SFHVURJKSA-N 2 2 286.419 2.777 20 30 CFEDLP C=CCOc1cccc(C[N@H+](C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000639398506 385517967 /nfs/dbraw/zinc/51/79/67/385517967.db2.gz QCFACKQDQDCWGR-SFHVURJKSA-N 2 2 286.419 2.777 20 30 CFEDLP C[N@@H+](CC#Cc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000192043424 130356943 /nfs/dbraw/zinc/35/69/43/130356943.db2.gz XMIZURATVHWJBG-GOSISDBHSA-N 2 2 270.420 2.844 20 30 CFEDLP C[N@H+](CC#Cc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000192043424 130356944 /nfs/dbraw/zinc/35/69/44/130356944.db2.gz XMIZURATVHWJBG-GOSISDBHSA-N 2 2 270.420 2.844 20 30 CFEDLP C[NH+](CC#Cc1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000192043424 130356946 /nfs/dbraw/zinc/35/69/46/130356946.db2.gz XMIZURATVHWJBG-GOSISDBHSA-N 2 2 270.420 2.844 20 30 CFEDLP C[NH+](CC#Cc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000192043424 130356948 /nfs/dbraw/zinc/35/69/48/130356948.db2.gz XMIZURATVHWJBG-GOSISDBHSA-N 2 2 270.420 2.844 20 30 CFEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000269403260 132165709 /nfs/dbraw/zinc/16/57/09/132165709.db2.gz HACDNBRMKQCXAA-AWEZNQCLSA-N 2 2 289.398 2.909 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093644920 393803235 /nfs/dbraw/zinc/80/32/35/393803235.db2.gz UMRNUVSLAYEFKP-AAEUAGOBSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(C#N)cs2)CC[N@H+]1C ZINC000093644920 393803241 /nfs/dbraw/zinc/80/32/41/393803241.db2.gz UMRNUVSLAYEFKP-AAEUAGOBSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)cs2)CC[NH+]1C ZINC000093644920 393803244 /nfs/dbraw/zinc/80/32/44/393803244.db2.gz UMRNUVSLAYEFKP-AAEUAGOBSA-N 2 2 263.410 2.534 20 30 CFEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)CC[NH+]1C ZINC000093644920 393803250 /nfs/dbraw/zinc/80/32/50/393803250.db2.gz UMRNUVSLAYEFKP-AAEUAGOBSA-N 2 2 263.410 2.534 20 30 CFEDLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H](C)C#N ZINC000346201956 393923778 /nfs/dbraw/zinc/92/37/78/393923778.db2.gz IWUPWEQKNICEOW-GFCCVEGCSA-N 2 2 274.393 2.915 20 30 CFEDLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H](C)C#N ZINC000346201956 393923781 /nfs/dbraw/zinc/92/37/81/393923781.db2.gz IWUPWEQKNICEOW-GFCCVEGCSA-N 2 2 274.393 2.915 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(C#N)c1 ZINC000346802997 393933249 /nfs/dbraw/zinc/93/32/49/393933249.db2.gz UTKNUWMEPFBVHO-WOSRLPQWSA-N 2 2 257.381 2.692 20 30 CFEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(C#N)c1 ZINC000346802997 393933250 /nfs/dbraw/zinc/93/32/50/393933250.db2.gz UTKNUWMEPFBVHO-WOSRLPQWSA-N 2 2 257.381 2.692 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000359509551 394136120 /nfs/dbraw/zinc/13/61/20/394136120.db2.gz RBQYKDFSXQMUTO-CVEARBPZSA-N 2 2 280.456 2.916 20 30 CFEDLP C=CCCC[C@@H](C)[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000359509551 394136124 /nfs/dbraw/zinc/13/61/24/394136124.db2.gz RBQYKDFSXQMUTO-CVEARBPZSA-N 2 2 280.456 2.916 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000294976204 394295985 /nfs/dbraw/zinc/29/59/85/394295985.db2.gz KHNPSGICGACLSH-GOSISDBHSA-N 2 2 282.387 2.914 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000294976204 394295988 /nfs/dbraw/zinc/29/59/88/394295988.db2.gz KHNPSGICGACLSH-GOSISDBHSA-N 2 2 282.387 2.914 20 30 CFEDLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(C#N)c(F)c1 ZINC000530216632 394484649 /nfs/dbraw/zinc/48/46/49/394484649.db2.gz CMIJZZAWPYDGSG-NHYWBVRUSA-N 2 2 273.355 2.633 20 30 CFEDLP C=CC[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663569013 413274786 /nfs/dbraw/zinc/27/47/86/413274786.db2.gz DGTIJTJDSOBKPR-UHFFFAOYSA-N 2 2 282.391 2.879 20 30 CFEDLP C=CCCCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472999 413343454 /nfs/dbraw/zinc/34/34/54/413343454.db2.gz CSIQJSPZWIUEGM-QGZVFWFLSA-N 2 2 280.456 2.920 20 30 CFEDLP C=CCCCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472999 413343460 /nfs/dbraw/zinc/34/34/60/413343460.db2.gz CSIQJSPZWIUEGM-QGZVFWFLSA-N 2 2 280.456 2.920 20 30 CFEDLP N#Cc1csc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)n1 ZINC000352826806 163244088 /nfs/dbraw/zinc/24/40/88/163244088.db2.gz XEVYWTRWFLPYHS-UHFFFAOYSA-N 2 2 297.387 2.613 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000657890670 414033381 /nfs/dbraw/zinc/03/33/81/414033381.db2.gz LWODZSOPJVUERD-ZACQAIPSSA-N 2 2 280.456 2.679 20 30 CFEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657981415 414086305 /nfs/dbraw/zinc/08/63/05/414086305.db2.gz QSNHSNNVCMWCRH-RBSFLKMASA-N 2 2 259.397 2.922 20 30 CFEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658059728 414144261 /nfs/dbraw/zinc/14/42/61/414144261.db2.gz KGVOVMJFARXYAK-NJAFHUGGSA-N 2 2 292.467 2.964 20 30 CFEDLP C=CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000665238409 414197238 /nfs/dbraw/zinc/19/72/38/414197238.db2.gz XXIQWBWBABXQBG-HOTGVXAUSA-N 2 2 260.381 2.654 20 30 CFEDLP C=CCC[C@H](CC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658295384 414353177 /nfs/dbraw/zinc/35/31/77/414353177.db2.gz RZXBIHLWBYQKME-GOEBONIOSA-N 2 2 266.429 2.574 20 30 CFEDLP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655735830 414399587 /nfs/dbraw/zinc/39/95/87/414399587.db2.gz KNDYPFSUFFLPGA-NVXWUHKLSA-N 2 2 280.456 2.964 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347963461 226389808 /nfs/dbraw/zinc/38/98/08/226389808.db2.gz QODOTKSLRNURNL-UONOGXRCSA-N 2 2 261.413 2.533 20 30 CFEDLP C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347963461 226389809 /nfs/dbraw/zinc/38/98/09/226389809.db2.gz QODOTKSLRNURNL-UONOGXRCSA-N 2 2 261.413 2.533 20 30 CFEDLP C=C(C)COCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000090451043 260359364 /nfs/dbraw/zinc/35/93/64/260359364.db2.gz QRZUFBLMGMTGQS-GOSISDBHSA-N 2 2 288.435 2.833 20 30 CFEDLP C=C(C)COCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000090451043 260359366 /nfs/dbraw/zinc/35/93/66/260359366.db2.gz QRZUFBLMGMTGQS-GOSISDBHSA-N 2 2 288.435 2.833 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](C#N)CCC#N ZINC000191513584 262192606 /nfs/dbraw/zinc/19/26/06/262192606.db2.gz XLABVNQEXBUQMQ-HNNXBMFYSA-N 2 2 287.411 2.601 20 30 CFEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](C#N)CCC#N ZINC000191513584 262192609 /nfs/dbraw/zinc/19/26/09/262192609.db2.gz XLABVNQEXBUQMQ-HNNXBMFYSA-N 2 2 287.411 2.601 20 30 CFEDLP N#C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000192697113 262208761 /nfs/dbraw/zinc/20/87/61/262208761.db2.gz USIPUPBCGORADM-FUHWJXTLSA-N 2 2 298.434 2.718 20 30 CFEDLP Oc1ccccc1/C=[NH+]/CC1CC[NH+](C2CC2)CC1 ZINC000277981095 263044922 /nfs/dbraw/zinc/04/49/22/263044922.db2.gz JEBNJSCFFRUPIS-SFQUDFHCSA-N 2 2 258.365 2.686 20 30 CFEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414847094 263063438 /nfs/dbraw/zinc/06/34/38/263063438.db2.gz OEEZOGWFAQTUIM-ZDUSSCGKSA-N 2 2 280.799 2.746 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCOC1(C)C)C(C)C ZINC000340175768 263082994 /nfs/dbraw/zinc/08/29/94/263082994.db2.gz PBTMEQRGXVMGRV-CVEARBPZSA-N 2 2 280.456 2.842 20 30 CFEDLP C[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000289437896 263110150 /nfs/dbraw/zinc/11/01/50/263110150.db2.gz SUQUTJSBINCGRV-CVEARBPZSA-N 2 2 271.408 2.961 20 30 CFEDLP C[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000289437896 263110151 /nfs/dbraw/zinc/11/01/51/263110151.db2.gz SUQUTJSBINCGRV-CVEARBPZSA-N 2 2 271.408 2.961 20 30 CFEDLP C=CC[NH+](CCC#N)CCCC[N@@H+](CC=C)CCC#N ZINC000292041152 263127553 /nfs/dbraw/zinc/12/75/53/263127553.db2.gz AMDWPRDHHHUQIG-UHFFFAOYSA-N 2 2 274.412 2.570 20 30 CFEDLP C=CC[NH+](CCC#N)CCCC[N@H+](CC=C)CCC#N ZINC000292041152 263127554 /nfs/dbraw/zinc/12/75/54/263127554.db2.gz AMDWPRDHHHUQIG-UHFFFAOYSA-N 2 2 274.412 2.570 20 30 CFEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1(C#N)CC1 ZINC000343278500 264319089 /nfs/dbraw/zinc/31/90/89/264319089.db2.gz LADXGLWKRZWNGG-UHFFFAOYSA-N 2 2 271.408 2.790 20 30 CFEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1(C#N)CC1 ZINC000343278500 264319092 /nfs/dbraw/zinc/31/90/92/264319092.db2.gz LADXGLWKRZWNGG-UHFFFAOYSA-N 2 2 271.408 2.790 20 30 CFEDLP Cc1cc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399558221 267299784 /nfs/dbraw/zinc/29/97/84/267299784.db2.gz FUJAGDZUKQBEAB-OAHLLOKOSA-N 2 2 294.402 2.616 20 30 CFEDLP Cc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C#N)c[nH+]1 ZINC000399558221 267299787 /nfs/dbraw/zinc/29/97/87/267299787.db2.gz FUJAGDZUKQBEAB-OAHLLOKOSA-N 2 2 294.402 2.616 20 30 CFEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000295061526 275380424 /nfs/dbraw/zinc/38/04/24/275380424.db2.gz RHDDRQZIVPCROP-LBPRGKRZSA-N 2 2 266.335 2.571 20 30 CFEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000295061526 275380425 /nfs/dbraw/zinc/38/04/25/275380425.db2.gz RHDDRQZIVPCROP-LBPRGKRZSA-N 2 2 266.335 2.571 20 30 CFEDLP C#C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C(C)(C)C ZINC000290227974 275386833 /nfs/dbraw/zinc/38/68/33/275386833.db2.gz SNSKRLWKXAVTSU-HNNXBMFYSA-N 2 2 271.408 2.688 20 30 CFEDLP C(#Cc1ccccc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192034713 275388776 /nfs/dbraw/zinc/38/87/76/275388776.db2.gz HTOKDGJZNYHIKM-IBGZPJMESA-N 2 2 282.431 2.988 20 30 CFEDLP C(#Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192034713 275388777 /nfs/dbraw/zinc/38/87/77/275388777.db2.gz HTOKDGJZNYHIKM-IBGZPJMESA-N 2 2 282.431 2.988 20 30 CFEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353380429 276175515 /nfs/dbraw/zinc/17/55/15/276175515.db2.gz BVGLDEKPTNINHG-WBVHZDCISA-N 2 2 269.392 2.619 20 30 CFEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353380429 276175516 /nfs/dbraw/zinc/17/55/16/276175516.db2.gz BVGLDEKPTNINHG-WBVHZDCISA-N 2 2 269.392 2.619 20 30 CFEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000348412087 276331627 /nfs/dbraw/zinc/33/16/27/276331627.db2.gz ZCXYQBPEEXWXFK-LSDHHAIUSA-N 2 2 263.429 2.780 20 30 CFEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC000248008094 277069333 /nfs/dbraw/zinc/06/93/33/277069333.db2.gz KZYBQKIOYMHPMT-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC000248008094 277069334 /nfs/dbraw/zinc/06/93/34/277069334.db2.gz KZYBQKIOYMHPMT-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC000248008094 277069335 /nfs/dbraw/zinc/06/93/35/277069335.db2.gz KZYBQKIOYMHPMT-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3C#N)CC[C@H]21 ZINC000248008094 277069336 /nfs/dbraw/zinc/06/93/36/277069336.db2.gz KZYBQKIOYMHPMT-RHSMWYFYSA-N 2 2 287.382 2.613 20 30 CFEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353380428 279336612 /nfs/dbraw/zinc/33/66/12/279336612.db2.gz BVGLDEKPTNINHG-RDJZCZTQSA-N 2 2 269.392 2.619 20 30 CFEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353380428 279336614 /nfs/dbraw/zinc/33/66/14/279336614.db2.gz BVGLDEKPTNINHG-RDJZCZTQSA-N 2 2 269.392 2.619 20 30 CFEDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1F ZINC000547979801 281762502 /nfs/dbraw/zinc/76/25/02/281762502.db2.gz MDKWPMDRWVLOOI-DGCLKSJQSA-N 2 2 284.338 2.559 20 30 CFEDLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1 ZINC000560896795 282043465 /nfs/dbraw/zinc/04/34/65/282043465.db2.gz YLEYKCWNDNXCGO-GOSISDBHSA-N 2 2 294.402 2.892 20 30 CFEDLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1 ZINC000562603364 290058995 /nfs/dbraw/zinc/05/89/95/290058995.db2.gz HGMPDQQGSOECDB-HOTGVXAUSA-N 2 2 280.375 2.810 20 30 CFEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000571550529 328134209 /nfs/dbraw/zinc/13/42/09/328134209.db2.gz SBCGSKWPSTWWAV-HPFXQQBRSA-N 2 2 298.434 2.574 20 30 CFEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000571550529 328134210 /nfs/dbraw/zinc/13/42/10/328134210.db2.gz SBCGSKWPSTWWAV-HPFXQQBRSA-N 2 2 298.434 2.574 20 30 CFEDLP N#CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266904380 328170394 /nfs/dbraw/zinc/17/03/94/328170394.db2.gz HIYDNQHFFUEKRV-OAHLLOKOSA-N 2 2 296.374 2.692 20 30 CFEDLP N#CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266904380 328170395 /nfs/dbraw/zinc/17/03/95/328170395.db2.gz HIYDNQHFFUEKRV-OAHLLOKOSA-N 2 2 296.374 2.692 20 30 CFEDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340430921 328276581 /nfs/dbraw/zinc/27/65/81/328276581.db2.gz AIDLLRNRDSLGNF-DJIMGWMZSA-N 2 2 271.408 2.961 20 30 CFEDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340430921 328276583 /nfs/dbraw/zinc/27/65/83/328276583.db2.gz AIDLLRNRDSLGNF-DJIMGWMZSA-N 2 2 271.408 2.961 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000422837702 330157281 /nfs/dbraw/zinc/15/72/81/330157281.db2.gz VEEVWOPJODVXGQ-RCCFBDPRSA-N 3 2 293.499 2.792 20 30 CFEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422982752 330162753 /nfs/dbraw/zinc/16/27/53/330162753.db2.gz XUYZDLRDNNAKBB-FUHWJXTLSA-N 3 2 293.499 2.927 20 30 CFEDLP C=CC[C@@H](C)[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423232067 330180630 /nfs/dbraw/zinc/18/06/30/330180630.db2.gz MGTMVSOECZESQB-ZIAGYGMSSA-N 2 2 274.412 2.504 20 30 CFEDLP C=CC[C@@H](C)[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423232065 330180716 /nfs/dbraw/zinc/18/07/16/330180716.db2.gz MGTMVSOECZESQB-KGLIPLIRSA-N 2 2 274.412 2.504 20 30 CFEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)C1 ZINC000423280220 330185360 /nfs/dbraw/zinc/18/53/60/330185360.db2.gz SMOPKYPXEZRDES-GDBMZVCRSA-N 2 2 263.429 2.971 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527948894 330294301 /nfs/dbraw/zinc/29/43/01/330294301.db2.gz MQOICRVJHHXMJO-FMKPAKJESA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527948894 330294302 /nfs/dbraw/zinc/29/43/02/330294302.db2.gz MQOICRVJHHXMJO-FMKPAKJESA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527997774 330299602 /nfs/dbraw/zinc/29/96/02/330299602.db2.gz AWWNDGUERLOLGV-IJEWVQPXSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527997774 330299603 /nfs/dbraw/zinc/29/96/03/330299603.db2.gz AWWNDGUERLOLGV-IJEWVQPXSA-N 2 2 261.413 2.675 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000424200884 330326621 /nfs/dbraw/zinc/32/66/21/330326621.db2.gz RKRYJDCCYZAMOF-CABCVRRESA-N 2 2 266.348 2.654 20 30 CFEDLP C#CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000090398482 330392384 /nfs/dbraw/zinc/39/23/84/330392384.db2.gz NTUWOTLNIKEYFT-AEFFLSMTSA-N 2 2 285.435 2.685 20 30 CFEDLP C#CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000090398482 330392385 /nfs/dbraw/zinc/39/23/85/330392385.db2.gz NTUWOTLNIKEYFT-AEFFLSMTSA-N 2 2 285.435 2.685 20 30 CFEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442648968 330778145 /nfs/dbraw/zinc/77/81/45/330778145.db2.gz MTJOPVZNRYXASS-KBPBESRZSA-N 2 2 268.364 2.627 20 30 CFEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000442782242 330782625 /nfs/dbraw/zinc/78/26/25/330782625.db2.gz KUDGMQRRWGJQIE-HIFRSBDPSA-N 2 2 266.348 2.654 20 30 CFEDLP CC(C)(CC#N)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000459736917 331297008 /nfs/dbraw/zinc/29/70/08/331297008.db2.gz VBCKJFCICNYKSG-UHFFFAOYSA-N 2 2 286.423 2.575 20 30 CFEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@@H]1C[C@H]1C)C(C)C ZINC000488448458 332010206 /nfs/dbraw/zinc/01/02/06/332010206.db2.gz ZTMXOCDYMACHHZ-OWCLPIDISA-N 2 2 250.430 2.931 20 30 CFEDLP C[C@H](C#N)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000248623219 334309545 /nfs/dbraw/zinc/30/95/45/334309545.db2.gz NLJIJPRTZKCZPZ-IIAWOOMASA-N 2 2 263.429 2.779 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000248875428 334320441 /nfs/dbraw/zinc/32/04/41/334320441.db2.gz JESBVCIUOUJGLN-IXDOHACOSA-N 2 2 275.440 2.923 20 30 CFEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000248875428 334320442 /nfs/dbraw/zinc/32/04/42/334320442.db2.gz JESBVCIUOUJGLN-IXDOHACOSA-N 2 2 275.440 2.923 20 30 CFEDLP